#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5k s MET 2 N 0.00 4.55 0.29 4.33 1.00 -1.26 -1.08 119.30 127.13 3i5k s MET 2 Ca 0.00 1.70 0.03 0.00 0.00 0.00 0.00 55.69 57.43 3i5k s MET 2 Cb 0.00 -3.31 0.64 0.00 0.00 0.00 0.00 34.83 32.16 3i5k s MET 2 CO 0.00 -0.02 1.80 0.66 0.00 0.00 0.00 175.02 177.46 3i5k h SER 3 N 5.72 0.85 -5.07 3.03 4.64 -1.31 -3.41 113.55 117.99 3i5k h SER 3 Ca -0.43 0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 60.81 3i5k h SER 3 Cb 1.21 -0.09 -0.18 0.00 -0.31 0.00 0.00 62.40 63.04 3i5k h SER 3 CO 0.75 0.38 -0.69 -0.31 -0.87 0.00 0.00 176.83 176.09 3i5k s TYR 4 N -5.91 0.44 0.14 4.77 2.02 -1.26 -1.08 117.35 116.46 3i5k s TYR 4 Ca -0.12 -0.81 0.08 0.00 -0.37 0.00 0.00 57.07 55.86 3i5k s TYR 4 Cb 0.24 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.44 3i5k s TYR 4 CO 0.80 -0.27 -0.18 -1.54 -1.57 0.00 0.00 175.55 172.79 3i5k s SER 5 N -2.24 2.47 0.04 2.29 1.04 -0.73 -4.83 113.70 111.74 3i5k s SER 5 Ca -0.03 -0.81 0.05 0.00 0.48 0.00 0.00 55.95 55.64 3i5k s SER 5 Cb -0.01 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 3i5k s SER 5 CO -0.05 -0.04 -0.14 0.26 0.98 0.00 0.00 173.24 174.25 3i5k s TRP 6 N -1.87 1.19 -0.01 5.02 0.52 -1.26 -0.57 118.94 121.96 3i5k s TRP 6 Ca 0.12 -0.36 0.12 0.00 0.02 0.00 0.00 56.10 56.00 3i5k s TRP 6 Cb -0.07 -0.71 -0.19 0.00 -1.15 0.00 0.00 33.47 31.36 3i5k s TRP 6 CO 0.05 0.03 0.91 1.79 0.02 0.00 0.00 176.95 179.76 3i5k h THR 7 N 4.51 1.05 0.00 2.01 1.35 -1.26 -3.48 112.91 117.09 3i5k h THR 7 Ca -0.38 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 62.70 3i5k h THR 7 Cb 1.18 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 3i5k h THR 7 CO 0.44 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.91 3i5k n GLY 8 N 1.45 1.88 3.76 5.82 0.00 -1.26 -5.09 105.19 111.76 3i5k n GLY 8 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3i5k n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k s ALA 9 N -2.20 3.66 0.66 4.61 0.00 -1.26 -4.97 121.76 122.26 3i5k s ALA 9 Ca 0.00 1.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.36 3i5k s ALA 9 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 3i5k s ALA 9 CO 0.00 -1.00 1.16 -0.51 0.00 0.00 0.00 175.76 175.41 3i5k s LEU 10 N -1.22 3.45 -0.36 0.00 1.02 -1.26 -4.87 118.68 115.44 3i5k s LEU 10 Ca 0.58 2.19 -0.23 0.00 0.02 0.00 0.00 54.13 56.68 3i5k s LEU 10 Cb -0.47 -4.57 0.01 0.00 0.02 0.00 0.00 46.19 41.18 3i5k s LEU 10 CO 0.55 -1.77 0.79 -0.63 0.02 0.00 0.00 176.35 175.31 3i5k s ILE 11 N -2.05 4.73 0.06 -0.59 1.01 -1.26 -4.76 121.20 118.33 3i5k s ILE 11 Ca 0.71 0.93 0.02 0.00 0.00 0.00 0.00 60.65 62.31 3i5k s ILE 11 Cb -0.25 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 3i5k s ILE 11 CO 0.40 -0.43 0.07 0.42 0.00 0.00 0.00 174.94 175.40 3i5k s THR 12 N 3.11 4.55 0.81 2.92 -4.23 -1.26 -4.90 115.64 116.64 3i5k s THR 12 Ca 0.32 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 3i5k s THR 12 Cb -0.13 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.63 3i5k s THR 12 CO 0.17 0.19 1.11 -2.16 -0.54 0.00 0.00 174.62 173.39 3i5k s PRO 13 N -2.19 2.00 -0.19 3.99 0.04 -1.26 -4.36 135.00 133.03 3i5k s PRO 13 Ca 0.27 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.76 3i5k s PRO 13 Cb -0.12 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 3i5k s PRO 13 CO 0.19 -1.64 -0.21 0.00 0.04 0.00 0.00 177.00 175.39 3i5k s SER 15 N -6.24 5.16 0.43 0.00 1.04 -1.26 -5.10 113.70 107.72 3i5k s SER 15 Ca -0.26 -0.28 -0.22 0.00 0.48 0.00 0.00 55.95 55.66 3i5k s SER 15 Cb 0.08 -1.23 -0.12 0.00 0.10 0.00 0.00 66.02 64.85 3i5k s SER 15 CO 0.39 0.06 0.63 -0.81 0.98 0.00 0.00 173.24 174.49 3i5k n PRO 16 N -0.38 0.70 -4.41 4.02 -0.04 -1.26 -5.02 135.00 128.61 3i5k n PRO 16 Ca -0.09 0.25 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 3i5k n PRO 16 Cb 0.55 -1.61 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 3i5k n PRO 16 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3i5k s GLU 17 N -1.70 1.22 -0.01 0.54 2.02 -1.26 -5.15 118.70 114.37 3i5k s GLU 17 Ca 0.64 -1.10 0.07 0.00 0.02 0.00 0.00 54.97 54.60 3i5k s GLU 17 Cb -0.59 -1.45 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 3i5k s GLU 17 CO 0.57 0.35 -0.22 -1.21 0.02 0.00 0.00 175.26 174.77 3i5k s GLU 18 N -1.67 1.71 -0.02 1.61 2.02 -1.26 -5.03 118.70 116.05 3i5k s GLU 18 Ca 0.07 -0.81 0.17 0.00 0.02 0.00 0.00 54.97 54.42 3i5k s GLU 18 Cb -0.10 -1.68 -0.25 0.00 0.10 0.00 0.00 34.13 32.21 3i5k s GLU 18 CO 0.03 0.46 0.43 -0.85 0.02 0.00 0.00 175.26 175.35 3i5k n GLU 19 N 2.43 0.71 -4.24 1.61 0.28 -1.26 -4.50 120.64 115.67 3i5k n GLU 19 Ca -0.16 -0.13 -0.35 0.00 -0.16 0.00 0.00 57.16 56.37 3i5k n GLU 19 Cb 0.53 -1.38 -0.09 0.00 1.43 0.00 0.00 31.44 31.93 3i5k n GLU 19 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3i5k s LYS 20 N -3.06 3.27 0.03 3.44 1.02 -1.26 -0.71 119.74 122.47 3i5k s LYS 20 Ca -0.04 -0.36 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 3i5k s LYS 20 Cb 0.11 -2.93 -0.08 0.00 -0.52 0.00 0.00 37.83 34.41 3i5k s LYS 20 CO 0.70 0.61 1.70 -1.17 -0.92 0.00 0.00 175.35 176.27 3i5k s LEU 21 N -0.62 4.36 0.23 3.17 2.96 -1.20 -4.93 118.68 122.66 3i5k s LEU 21 Ca 0.11 2.44 -0.30 0.00 -0.22 0.00 0.00 54.13 56.16 3i5k s LEU 21 Cb -0.12 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 3i5k s LEU 21 CO 0.02 -0.92 1.21 -2.84 -1.32 0.00 0.00 176.35 172.50 3i5k s PRO 22 N 3.27 4.49 -0.14 0.98 0.02 -1.26 -4.85 135.00 137.51 3i5k s PRO 22 Ca 0.76 1.93 -0.26 0.00 0.02 0.00 0.00 61.00 63.46 3i5k s PRO 22 Cb -0.38 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 30.92 3i5k s PRO 22 CO 0.33 -0.06 0.83 -1.50 -0.33 0.00 0.00 177.00 176.28 3i5k s ILE 23 N -0.45 4.89 -0.24 2.83 1.10 -1.26 -4.95 121.20 123.13 3i5k s ILE 23 Ca 0.51 1.66 -0.25 0.00 -0.51 0.00 0.00 60.65 62.06 3i5k s ILE 23 Cb -0.34 -4.15 0.07 0.00 0.15 0.00 0.00 42.46 38.19 3i5k s ILE 23 CO 0.40 0.06 0.69 0.21 -2.11 0.00 0.00 174.94 174.19 3i5k s ASN 24 N 1.10 -0.71 0.26 4.50 3.84 -1.26 -5.05 114.94 117.63 3i5k s ASN 24 Ca 0.39 1.31 -0.02 0.00 0.21 0.00 0.00 52.86 54.75 3i5k s ASN 24 Cb -0.17 1.31 0.42 0.00 -0.55 0.00 0.00 41.25 42.26 3i5k s ASN 24 CO 0.14 -0.28 1.87 -0.65 -2.79 0.00 0.00 177.10 175.39 3i5k h PRO 25 N 4.83 1.06 -0.30 0.43 0.11 -1.97 0.25 132.00 136.41 3i5k h PRO 25 Ca -0.29 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3i5k h PRO 25 Cb 1.16 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3i5k h PRO 25 CO 0.10 0.70 0.10 -0.07 -0.21 0.00 0.00 178.00 178.63 3i5k h LEU 26 N 1.10 0.43 -0.06 2.35 3.38 -1.98 -2.44 115.31 118.09 3i5k h LEU 26 Ca 0.43 -0.19 -0.24 0.00 0.09 0.00 0.00 57.88 57.98 3i5k h LEU 26 Cb 0.23 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3i5k h LEU 26 CO -0.19 0.50 -1.06 0.77 0.09 0.00 0.00 178.44 178.56 3i5k h SER 27 N 0.33 0.34 0.15 -0.43 4.64 -1.77 -3.24 113.55 113.56 3i5k h SER 27 Ca 0.10 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 3i5k h SER 27 Cb 0.22 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3i5k h SER 27 CO -0.00 1.19 -0.11 -1.13 -0.87 0.00 0.00 176.83 175.90 3i5k h ASN 28 N 0.10 0.00 0.41 4.97 -0.73 -0.51 0.21 115.58 120.02 3i5k h ASN 28 Ca -0.08 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.07 3i5k h ASN 28 Cb 1.75 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.34 3i5k h ASN 28 CO 0.17 0.11 -0.09 0.28 -0.37 0.00 0.00 177.43 177.53 3i5k h SER 29 N 0.00 0.00 0.02 1.15 0.02 -1.46 -3.17 113.55 110.11 3i5k h SER 29 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 3i5k h SER 29 Cb 0.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3i5k h SER 29 CO 0.01 0.09 -0.98 0.25 -1.14 0.00 0.00 176.83 175.07 3i5k h LEU 30 N 0.00 0.06 -7.23 5.07 5.85 -1.10 -3.43 115.31 114.53 3i5k h LEU 30 Ca -0.00 -0.69 -0.10 0.00 0.84 0.00 0.00 57.88 57.93 3i5k h LEU 30 Cb 0.31 -0.02 -0.24 0.00 0.37 0.00 0.00 40.66 41.08 3i5k h LEU 30 CO 0.01 1.39 -0.18 -1.48 -0.34 0.00 0.00 178.44 177.85 3i5k s LEU 31 N -7.89 0.06 0.08 2.25 0.05 -0.85 -4.11 118.68 108.26 3i5k s LEU 31 Ca -0.25 0.98 0.17 0.00 0.05 0.00 0.00 54.13 55.08 3i5k s LEU 31 Cb 0.03 1.61 -0.12 0.00 -2.05 0.00 0.00 46.19 45.67 3i5k s LEU 31 CO 0.65 -0.18 0.86 0.03 -0.55 0.00 0.00 176.35 177.16 3i5k h ARG 32 N 5.86 0.00 -3.83 1.48 3.08 -0.93 -3.36 114.38 116.68 3i5k h ARG 32 Ca -0.30 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.02 3i5k h ARG 32 Cb 1.18 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.11 3i5k h ARG 32 CO 0.22 0.26 2.30 0.66 -1.07 0.00 0.00 179.97 182.35 3i5k n TYR 33 N -2.88 3.32 0.21 3.04 4.01 -0.72 -4.74 117.16 119.40 3i5k n TYR 33 Ca -0.08 -2.89 0.05 0.00 -0.16 0.00 0.00 57.90 54.81 3i5k n TYR 33 Cb 0.81 -2.16 0.45 0.00 -0.31 0.00 0.00 39.34 38.12 3i5k n TYR 33 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3i5k h HIS 34 N 5.99 0.00 0.00 -0.72 2.07 -1.86 -2.41 115.15 118.22 3i5k h HIS 34 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 3i5k h HIS 34 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 3i5k h HIS 34 CO 1.31 0.27 0.00 0.09 -3.07 0.00 0.00 177.93 176.53 3i5k n ASN 35 N -4.14 0.32 0.03 3.10 3.02 -1.26 -1.77 115.26 114.56 3i5k n ASN 35 Ca -0.02 0.59 0.12 0.00 -0.03 0.00 0.00 54.58 55.24 3i5k n ASN 35 Cb 0.33 -0.65 0.28 0.00 -0.61 0.00 0.00 39.78 39.13 3i5k n ASN 35 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i5k n LYS 36 N -1.86 0.14 -3.90 3.52 5.02 -0.91 -4.84 118.16 115.33 3i5k n LYS 36 Ca 0.02 0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 56.01 3i5k n LYS 36 Cb 0.17 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.48 3i5k n LYS 36 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i5k s VAL 37 N -3.08 4.80 0.14 -0.18 1.01 -0.73 -0.22 120.40 122.16 3i5k s VAL 37 Ca 0.09 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3i5k s VAL 37 Cb 0.16 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3i5k s VAL 37 CO 0.68 0.41 -0.09 -0.72 0.00 0.00 0.00 175.10 175.38 3i5k s TYR 38 N 0.74 1.23 -0.09 5.22 -0.85 -0.63 -3.26 117.35 119.71 3i5k s TYR 38 Ca 0.04 -0.79 0.03 0.00 -0.52 0.00 0.00 57.07 55.83 3i5k s TYR 38 Cb -0.13 -0.64 -0.02 0.00 0.38 0.00 0.00 41.96 41.56 3i5k s TYR 38 CO 0.02 0.05 -0.17 0.00 -1.52 0.00 0.00 175.55 173.93 3i5k s THR 40 N -0.10 3.14 0.28 0.00 -4.23 0.07 -4.42 115.64 110.37 3i5k s THR 40 Ca -0.03 1.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 3i5k s THR 40 Cb -0.14 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 3i5k s THR 40 CO 0.04 0.13 0.19 0.42 -0.54 0.00 0.00 174.62 174.86 3i5k s THR 41 N -1.35 0.11 0.19 3.99 -4.23 -1.26 -3.87 115.64 109.22 3i5k s THR 41 Ca 0.54 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.31 3i5k s THR 41 Cb -0.32 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.27 3i5k s THR 41 CO 0.41 0.00 1.75 0.77 -0.54 0.00 0.00 174.62 177.01 3i5k h SER 42 N 2.31 0.00 -0.53 3.99 4.64 -1.88 -2.33 113.55 119.75 3i5k h SER 42 Ca -0.31 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.05 3i5k h SER 42 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 3i5k h SER 42 CO 0.47 0.00 0.35 0.50 -0.87 0.00 0.00 176.83 177.28 3i5k h LYS 43 N 0.00 0.54 -0.69 4.77 3.64 -1.96 -1.98 116.57 120.89 3i5k h LYS 43 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3i5k h LYS 43 Cb 0.29 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3i5k h LYS 43 CO 0.00 0.35 0.00 -1.13 -2.27 0.00 0.00 179.45 176.40 3i5k n SER 44 N -4.47 4.26 -0.29 4.20 3.41 -0.88 -4.59 113.62 115.25 3i5k n SER 44 Ca 0.06 -2.19 -0.05 0.00 -0.26 0.00 0.00 58.87 56.44 3i5k n SER 44 Cb 0.18 -0.52 0.08 0.00 -0.26 0.00 0.00 64.21 63.69 3i5k n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i5k h ALA 45 N 4.13 1.09 -0.27 7.33 0.00 -1.47 -2.50 119.26 127.57 3i5k h ALA 45 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3i5k h ALA 45 Cb 1.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3i5k h ALA 45 CO 0.09 0.66 -0.23 1.03 0.00 0.00 0.00 179.25 180.81 3i5k h SER 46 N 1.17 0.50 -0.80 0.00 0.87 -1.81 -0.14 113.55 113.34 3i5k h SER 46 Ca 0.27 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3i5k h SER 46 Cb 0.18 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 3i5k h SER 46 CO -0.03 0.73 0.53 -0.61 -0.53 0.00 0.00 176.83 176.92 3i5k h GLN 47 N 0.45 1.04 -0.27 2.24 4.15 -1.79 -2.39 115.11 118.54 3i5k h GLN 47 Ca 0.07 -0.06 -0.19 0.00 0.77 0.00 0.00 58.65 59.24 3i5k h GLN 47 Cb 0.64 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.10 3i5k h GLN 47 CO 0.05 0.69 -0.56 -0.09 -1.93 0.00 0.00 178.83 176.99 3i5k h ARG 48 N 1.08 0.84 -0.96 1.69 9.65 -1.03 -3.06 114.38 122.58 3i5k h ARG 48 Ca 0.30 -0.54 0.04 0.00 -1.10 0.00 0.00 59.98 58.68 3i5k h ARG 48 Cb -0.11 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.48 3i5k h ARG 48 CO -0.07 1.17 0.62 0.00 2.80 0.00 0.00 179.97 184.49 3i5k h ALA 49 N 0.72 1.29 -0.08 2.80 0.00 -0.88 -1.04 119.26 122.06 3i5k h ALA 49 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i5k h ALA 49 Cb 1.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3i5k h ALA 49 CO 0.12 0.48 0.02 0.87 0.00 0.00 0.00 179.25 180.74 3i5k h LYS 50 N 1.19 0.06 -0.72 0.00 1.79 -1.41 -2.84 116.57 114.64 3i5k h LYS 50 Ca 0.39 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.85 3i5k h LYS 50 Cb 0.05 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 3i5k h LYS 50 CO -0.14 0.04 0.40 -0.22 -1.08 0.00 0.00 179.45 178.45 3i5k h LYS 51 N 0.06 0.99 -0.01 3.15 3.64 -1.32 -2.95 116.57 120.15 3i5k h LYS 51 Ca 0.04 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3i5k h LYS 51 Cb 0.02 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3i5k h LYS 51 CO -0.04 0.74 -0.02 1.33 -2.27 0.00 0.00 179.45 179.18 3i5k n VAL 52 N -4.49 0.00 -3.59 2.00 0.24 -0.45 -4.72 118.33 107.32 3i5k n VAL 52 Ca 0.06 -0.11 -0.40 0.00 -2.04 0.00 0.00 64.34 61.85 3i5k n VAL 52 Cb 0.09 -0.02 -0.11 0.00 -1.47 0.00 0.00 33.84 32.33 3i5k n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i5k s THR 53 N -2.09 4.71 0.23 3.34 2.01 -1.08 -4.69 115.64 118.07 3i5k s THR 53 Ca 0.40 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.50 3i5k s THR 53 Cb 0.21 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 69.21 3i5k s THR 53 CO 0.38 -0.15 0.79 0.72 -0.69 0.00 0.00 174.62 175.67 3i5k s PHE 54 N 1.60 -0.19 0.19 4.92 -0.12 -1.26 -4.96 117.98 118.16 3i5k s PHE 54 Ca 0.03 -0.21 -0.28 0.00 -0.05 0.00 0.00 56.93 56.42 3i5k s PHE 54 Cb -0.18 0.68 -0.08 0.00 -0.63 0.00 0.00 43.02 42.80 3i5k s PHE 54 CO 0.07 -1.09 0.89 0.34 -0.05 0.00 0.00 175.22 175.38 3i5k s ASP 55 N -2.91 7.53 -0.12 1.98 -1.08 -1.26 -0.92 116.67 119.89 3i5k s ASP 55 Ca 0.11 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 53.96 3i5k s ASP 55 Cb -0.04 -2.57 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 3i5k s ASP 55 CO 0.04 0.13 -0.13 -0.13 0.52 0.00 0.00 175.17 175.61 3i5k s ARG 56 N -0.95 3.27 0.23 4.34 3.00 -0.24 -4.94 118.95 123.66 3i5k s ARG 56 Ca 0.40 -0.68 0.10 0.00 0.00 0.00 0.00 55.73 55.56 3i5k s ARG 56 Cb -0.25 -2.61 -0.04 0.00 0.00 0.00 0.00 34.95 32.05 3i5k s ARG 56 CO 0.30 0.28 -0.13 0.95 0.00 0.00 0.00 175.30 176.69 3i5k s THR 57 N 0.18 2.89 -0.16 0.02 -4.23 -1.26 -2.65 115.64 110.43 3i5k s THR 57 Ca -0.07 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.38 3i5k s THR 57 Cb -0.15 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.29 3i5k s THR 57 CO 0.05 -0.25 0.36 -1.58 -0.54 0.00 0.00 174.62 172.65 3i5k s GLN 58 N -3.17 0.27 -0.18 3.99 0.74 -1.26 -4.12 119.66 115.93 3i5k s GLN 58 Ca 0.27 0.85 0.01 0.00 0.05 0.00 0.00 55.36 56.54 3i5k s GLN 58 Cb -0.07 0.11 0.03 0.00 1.10 0.00 0.00 33.01 34.18 3i5k s GLN 58 CO 0.15 -0.23 -0.13 0.08 -0.55 0.00 0.00 175.29 174.61 3i5k s VAL 59 N 2.17 1.68 0.17 1.34 1.01 -0.05 -5.02 120.40 121.71 3i5k s VAL 59 Ca -0.03 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3i5k s VAL 59 Cb -0.11 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3i5k s VAL 59 CO -0.11 0.30 0.28 -0.76 0.00 0.00 0.00 175.10 174.81 3i5k s LEU 60 N 1.40 4.28 0.00 3.92 1.43 -1.26 -4.07 118.68 124.38 3i5k s LEU 60 Ca 0.01 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3i5k s LEU 60 Cb -0.15 -2.85 -0.00 0.00 0.03 0.00 0.00 46.19 43.22 3i5k s LEU 60 CO -0.09 0.03 0.03 -0.90 0.23 0.00 0.00 176.35 175.65 3i5k n ASP 61 N -0.72 0.74 0.20 2.29 5.68 -1.26 -5.03 116.55 118.45 3i5k n ASP 61 Ca -0.08 -1.43 0.04 0.00 -0.50 0.00 0.00 54.79 52.82 3i5k n ASP 61 Cb 0.55 0.23 0.41 0.00 -1.14 0.00 0.00 41.12 41.17 3i5k n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i5k h ALA 62 N 1.15 1.45 -0.21 2.12 0.00 -1.99 -1.62 119.26 120.15 3i5k h ALA 62 Ca -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3i5k h ALA 62 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3i5k h ALA 62 CO 0.09 0.39 0.05 0.45 0.00 0.00 0.00 179.25 180.23 3i5k h HIS 63 N 0.00 0.36 -0.02 0.00 3.86 -1.96 -0.83 115.15 116.56 3i5k h HIS 63 Ca -0.00 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3i5k h HIS 63 Cb 0.56 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 3i5k h HIS 63 CO 0.00 0.46 -0.07 -0.92 0.86 0.00 0.00 177.93 178.26 3i5k h TYR 64 N 0.16 -0.17 -0.80 2.45 3.20 -1.78 -2.37 116.97 117.67 3i5k h TYR 64 Ca 0.07 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.00 3i5k h TYR 64 Cb 0.28 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 3i5k h TYR 64 CO 0.01 -0.11 0.48 -0.44 -1.64 0.00 0.00 178.16 176.47 3i5k h ASP 65 N -0.11 0.76 -0.21 -2.11 3.32 -1.20 -1.49 116.42 115.37 3i5k h ASP 65 Ca 0.04 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3i5k h ASP 65 Cb 0.16 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3i5k h ASP 65 CO -0.09 0.49 0.00 -1.28 -1.72 0.00 0.00 179.24 176.64 3i5k h SER 66 N 0.89 0.36 -0.33 6.45 0.87 -1.05 -1.68 113.55 119.06 3i5k h SER 66 Ca 0.35 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3i5k h SER 66 Cb 0.16 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3i5k h SER 66 CO -0.17 0.58 0.20 0.58 -0.53 0.00 0.00 176.83 177.49 3i5k h VAL 67 N 0.13 1.04 -0.83 2.23 2.07 -1.13 -2.40 116.25 117.36 3i5k h VAL 67 Ca 0.06 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3i5k h VAL 67 Cb 0.39 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3i5k h VAL 67 CO 0.01 0.07 0.54 0.25 0.02 0.00 0.00 177.57 178.46 3i5k h LEU 68 N 0.40 0.91 -0.51 2.57 5.85 -1.23 -0.72 115.31 122.58 3i5k h LEU 68 Ca 0.13 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3i5k h LEU 68 Cb -0.00 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3i5k h LEU 68 CO -0.06 0.63 0.25 0.50 -0.34 0.00 0.00 178.44 179.43 3i5k h LYS 69 N 1.07 0.47 -0.62 1.25 3.64 -1.09 -1.42 116.57 119.87 3i5k h LYS 69 Ca 0.33 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3i5k h LYS 69 Cb -0.03 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3i5k h LYS 69 CO -0.10 0.31 0.36 -0.44 -2.27 0.00 0.00 179.45 177.31 3i5k h ASP 70 N 0.49 0.76 -0.38 4.20 3.32 -0.88 -2.49 116.42 121.44 3i5k h ASP 70 Ca 0.23 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.22 3i5k h ASP 70 Cb 0.15 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3i5k h ASP 70 CO -0.17 0.62 0.21 0.40 -1.72 0.00 0.00 179.24 178.58 3i5k h ILE 71 N 0.84 1.02 -0.76 0.35 2.04 -0.72 -1.01 117.51 119.28 3i5k h ILE 71 Ca 0.22 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3i5k h ILE 71 Cb 0.01 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3i5k h ILE 71 CO -0.04 0.08 0.33 0.11 0.00 0.00 0.00 178.15 178.63 3i5k h LYS 72 N 0.43 1.11 -0.32 2.37 1.57 -1.21 0.18 116.57 120.70 3i5k h LYS 72 Ca 0.15 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3i5k h LYS 72 Cb 0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3i5k h LYS 72 CO -0.08 0.88 0.13 1.25 -0.57 0.00 0.00 179.45 181.06 3i5k h LEU 73 N 1.09 0.44 -0.98 2.94 5.85 -1.15 -2.10 115.31 121.41 3i5k h LEU 73 Ca 0.26 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3i5k h LEU 73 Cb 0.17 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3i5k h LEU 73 CO -0.03 0.47 0.46 0.00 -0.34 0.00 0.00 178.44 179.01 3i5k h ALA 74 N 0.98 1.22 -0.22 1.25 0.00 -0.80 -2.67 119.26 119.01 3i5k h ALA 74 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3i5k h ALA 74 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i5k h ALA 74 CO -0.01 0.63 0.06 0.00 0.00 0.00 0.00 179.25 179.93 3i5k h ALA 75 N 1.32 1.69 0.00 0.00 0.00 -0.41 -2.76 119.26 119.11 3i5k h ALA 75 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i5k h ALA 75 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i5k h ALA 75 CO -0.05 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 3i5k n SER 76 N -4.41 0.00 -0.06 0.00 3.41 -0.81 -1.62 113.62 110.12 3i5k n SER 76 Ca 0.00 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 3i5k n SER 76 Cb 0.15 -0.48 0.42 0.00 -0.26 0.00 0.00 64.21 64.03 3i5k n SER 76 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i5k n LYS 77 N -1.48 0.29 -3.11 4.33 4.76 -1.04 -4.60 118.16 117.30 3i5k n LYS 77 Ca 0.03 -0.13 -0.39 0.00 -2.87 0.00 0.00 58.31 54.94 3i5k n LYS 77 Cb 0.11 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.75 3i5k n LYS 77 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i5k s VAL 78 N -2.80 4.92 -0.15 -0.18 1.01 -0.64 -4.98 120.40 117.57 3i5k s VAL 78 Ca 0.18 1.39 -0.02 0.00 0.00 0.00 0.00 61.98 63.53 3i5k s VAL 78 Cb 0.19 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3i5k s VAL 78 CO 0.59 0.35 -0.09 -0.44 0.00 0.00 0.00 175.10 175.50 3i5k s SER 79 N 0.19 4.25 0.14 3.32 0.01 -1.26 -0.42 113.70 119.92 3i5k s SER 79 Ca 0.35 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.36 3i5k s SER 79 Cb -0.18 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 3i5k s SER 79 CO 0.19 0.14 -0.10 0.00 0.41 0.00 0.00 173.24 173.87 3i5k s ALA 80 N 0.54 1.45 0.26 1.44 0.00 -0.60 -4.96 121.76 119.88 3i5k s ALA 80 Ca -0.06 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 50.49 3i5k s ALA 80 Cb -0.15 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3i5k s ALA 80 CO 0.03 -0.08 -0.07 -0.98 0.00 0.00 0.00 175.76 174.66 3i5k s ARG 81 N -3.64 1.47 0.35 0.00 1.70 -1.26 -4.34 118.95 113.23 3i5k s ARG 81 Ca 0.16 -1.72 -0.28 0.00 -0.47 0.00 0.00 55.73 53.41 3i5k s ARG 81 Cb 0.02 -1.08 -0.10 0.00 -0.57 0.00 0.00 34.95 33.21 3i5k s ARG 81 CO 0.01 0.06 1.36 -0.51 -1.08 0.00 0.00 175.30 175.14 3i5k s LEU 82 N -3.40 4.37 0.28 -1.89 1.43 -1.26 -4.52 118.68 113.68 3i5k s LEU 82 Ca 0.28 2.80 -0.28 0.00 -1.03 0.00 0.00 54.13 55.89 3i5k s LEU 82 Cb 0.03 -3.68 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 3i5k s LEU 82 CO 0.10 -0.68 0.96 -0.76 0.23 0.00 0.00 176.35 176.20 3i5k s LEU 83 N -1.96 4.52 0.88 1.79 1.02 -0.49 -5.04 118.68 119.39 3i5k s LEU 83 Ca 0.51 1.94 -0.11 0.00 0.02 0.00 0.00 54.13 56.49 3i5k s LEU 83 Cb -0.42 -3.77 0.12 0.00 0.02 0.00 0.00 46.19 42.15 3i5k s LEU 83 CO 0.56 0.04 1.10 0.42 0.02 0.00 0.00 176.35 178.49 3i5k s THR 84 N -1.34 2.73 0.22 5.49 -4.23 -1.26 -4.62 115.64 112.62 3i5k s THR 84 Ca 0.45 0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 61.12 3i5k s THR 84 Cb -0.24 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 71.16 3i5k s THR 84 CO 0.30 -0.31 1.81 0.25 -0.54 0.00 0.00 174.62 176.13 3i5k h LEU 85 N -1.55 0.60 -0.82 4.79 6.46 -1.98 -2.16 115.31 120.64 3i5k h LEU 85 Ca -0.47 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.31 3i5k h LEU 85 Cb 1.27 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 41.07 3i5k h LEU 85 CO 0.51 0.38 0.49 -0.08 -0.62 0.00 0.00 178.44 179.12 3i5k h GLU 86 N 0.73 1.12 -0.51 1.25 4.81 -1.99 -0.37 114.58 119.62 3i5k h GLU 86 Ca 0.33 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3i5k h GLU 86 Cb 0.22 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3i5k h GLU 86 CO -0.20 0.80 -0.06 0.93 -0.73 0.00 0.00 179.01 179.74 3i5k h GLU 87 N 1.13 0.95 -0.48 1.92 5.08 -1.83 -1.63 114.58 119.72 3i5k h GLU 87 Ca 0.29 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3i5k h GLU 87 Cb -0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3i5k h GLU 87 CO -0.05 1.00 0.08 0.00 -1.00 0.00 0.00 179.01 179.04 3i5k h ALA 88 N 0.92 0.64 -0.71 3.43 0.00 -1.17 -2.85 119.26 119.52 3i5k h ALA 88 Ca 0.14 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i5k h ALA 88 Cb 0.61 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3i5k h ALA 88 CO 0.04 0.36 0.45 0.00 0.00 0.00 0.00 179.25 180.10 3i5k n GLN 90 N -4.66 0.17 0.00 0.00 1.13 -0.63 -1.78 117.38 111.61 3i5k n GLN 90 Ca 0.08 0.40 0.13 0.00 -1.94 0.00 0.00 57.00 55.67 3i5k n GLN 90 Cb 0.09 -1.82 0.46 0.00 0.11 0.00 0.00 30.24 29.08 3i5k n GLN 90 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3i5k n LEU 91 N -2.13 0.82 -4.69 1.08 4.77 -1.03 -4.81 117.00 111.03 3i5k n LEU 91 Ca 0.02 -0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.42 3i5k n LEU 91 Cb 0.22 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3i5k n LEU 91 CO 0.19 0.15 0.89 -0.89 -1.33 0.00 0.00 177.39 176.40 3i5k s THR 92 N -2.50 4.49 0.55 -5.08 2.01 -0.73 -0.63 115.64 113.75 3i5k s THR 92 Ca 0.26 1.79 -0.21 0.00 0.31 0.00 0.00 61.69 63.83 3i5k s THR 92 Cb 0.19 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3i5k s THR 92 CO 0.51 -0.01 1.29 -2.84 -0.69 0.00 0.00 174.62 172.87 3i5k s PRO 93 N 2.20 3.16 0.46 4.92 0.02 -1.26 -4.77 135.00 139.73 3i5k s PRO 93 Ca 0.52 2.05 0.22 0.00 0.02 0.00 0.00 61.00 63.82 3i5k s PRO 93 Cb -0.22 -2.18 1.22 0.00 0.02 0.00 0.00 34.50 33.35 3i5k s PRO 93 CO 0.20 -1.12 1.88 -1.35 -0.33 0.00 0.00 177.00 176.28 3i5k h PRO 94 N 1.36 0.25 -0.27 5.54 0.11 -1.95 -2.37 132.00 134.67 3i5k h PRO 94 Ca -0.51 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3i5k h PRO 94 Cb 1.29 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 3i5k h PRO 94 CO 0.57 0.16 -0.02 0.72 -0.21 0.00 0.00 178.00 179.22 3i5k n HIS 95 N -4.43 0.91 -1.60 0.65 8.25 -1.26 -4.37 115.22 113.37 3i5k n HIS 95 Ca 0.18 -1.13 -0.46 0.00 -0.26 0.00 0.00 57.72 56.05 3i5k n HIS 95 Cb 0.75 -0.36 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 3i5k n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i5k n SER 96 N -0.81 1.53 -4.71 0.41 2.88 -0.89 -4.79 113.62 107.24 3i5k n SER 96 Ca 0.25 1.16 -0.58 0.00 -1.33 0.00 0.00 58.87 58.36 3i5k n SER 96 Cb 0.92 -1.28 -0.07 0.00 -0.75 0.00 0.00 64.21 63.02 3i5k n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i5k n ALA 97 N 0.93 -0.42 -1.12 -1.46 0.00 -1.26 -4.09 120.51 113.09 3i5k n ALA 97 Ca 0.12 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 3i5k n ALA 97 Cb 0.29 -2.17 0.12 0.00 0.00 0.00 0.00 19.45 17.69 3i5k n ALA 97 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i5k n ARG 98 N 5.00 0.19 -2.29 0.00 1.85 -1.26 -4.43 116.66 115.72 3i5k n ARG 98 Ca 0.26 0.14 -0.33 0.00 -1.00 0.00 0.00 57.85 56.92 3i5k n ARG 98 Cb 0.11 -2.36 -0.01 0.00 -1.05 0.00 0.00 32.46 29.15 3i5k n ARG 98 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3i5k s SER 99 N -2.04 6.04 0.00 2.89 0.15 0.60 -4.64 113.70 116.70 3i5k s SER 99 Ca 0.72 1.89 0.22 0.00 0.70 0.00 0.00 55.95 59.48 3i5k s SER 99 Cb -0.29 -2.55 1.01 0.00 -1.71 0.00 0.00 66.02 62.47 3i5k s SER 99 CO 0.52 -0.99 1.70 2.29 1.20 0.00 0.00 173.24 177.96 3i5k n LYS 100 N -1.50 0.15 -1.26 5.44 2.85 -1.26 -3.76 118.16 118.83 3i5k n LYS 100 Ca 0.09 0.11 -0.26 0.00 -1.05 0.00 0.00 58.31 57.19 3i5k n LYS 100 Cb 0.53 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.55 3i5k n LYS 100 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3i5k n TYR 101 N -1.40 2.96 -1.37 5.58 4.01 -1.26 -4.90 117.16 120.79 3i5k n TYR 101 Ca 0.08 -2.28 0.00 0.00 -0.16 0.00 0.00 57.90 55.54 3i5k n TYR 101 Cb 0.21 -1.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.17 3i5k n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i5k n GLY 102 N -1.05 0.52 3.35 2.72 0.00 -1.25 -4.98 105.19 104.50 3i5k n GLY 102 Ca 0.58 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 3i5k n GLY 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i5k s PHE 103 N -2.00 -0.31 0.00 1.61 -0.12 -1.26 -4.98 117.98 110.93 3i5k s PHE 103 Ca 0.00 0.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.99 3i5k s PHE 103 Cb 0.00 0.32 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 3i5k s PHE 103 CO 0.00 -0.70 0.00 0.41 -0.05 0.00 0.00 175.22 174.88 3i5k n GLY 104 N -0.05 4.83 0.37 1.99 0.00 -1.26 -0.29 105.19 110.78 3i5k n GLY 104 Ca -0.17 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 43.99 3i5k n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k h ALA 105 N 1.00 1.51 -0.22 4.61 0.00 -1.83 -1.92 119.26 122.41 3i5k h ALA 105 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i5k h ALA 105 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3i5k h ALA 105 CO 0.00 0.27 0.12 -0.22 0.00 0.00 0.00 179.25 179.42 3i5k h LYS 106 N 1.02 0.25 -0.48 0.00 3.64 -1.90 -0.51 116.57 118.59 3i5k h LYS 106 Ca 0.48 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.78 3i5k h LYS 106 Cb 0.42 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3i5k h LYS 106 CO -0.24 0.16 0.06 0.93 -2.27 0.00 0.00 179.45 178.10 3i5k h GLU 107 N 0.25 0.75 0.37 1.90 3.07 -1.85 -2.07 114.58 116.99 3i5k h GLU 107 Ca 0.09 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 3i5k h GLU 107 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3i5k h GLU 107 CO -0.05 0.72 -0.18 0.28 -1.40 0.00 0.00 179.01 178.38 3i5k h VAL 108 N 0.71 0.65 0.00 3.13 2.07 -0.95 -0.99 116.25 120.88 3i5k h VAL 108 Ca 0.15 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3i5k h VAL 108 Cb 0.34 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3i5k h VAL 108 CO 0.01 0.02 -0.11 0.03 0.02 0.00 0.00 177.57 177.54 3i5k h ARG 109 N -0.56 0.00 -0.75 1.57 3.08 -0.96 -1.80 114.38 114.96 3i5k h ARG 109 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i5k h ARG 109 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3i5k h ARG 109 CO 0.08 0.11 0.00 -1.13 -1.07 0.00 0.00 179.97 177.96 3i5k n SER 110 N -3.79 4.00 -3.81 7.04 3.41 -0.79 -4.85 113.62 114.83 3i5k n SER 110 Ca -0.02 -2.00 -0.27 0.00 -0.26 0.00 0.00 58.87 56.31 3i5k n SER 110 Cb 0.21 -0.50 0.04 0.00 -0.26 0.00 0.00 64.21 63.70 3i5k n SER 110 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i5k n LEU 111 N 1.68 -2.84 -4.69 1.04 4.77 -0.68 -4.93 117.00 111.35 3i5k n LEU 111 Ca 0.25 -0.73 -0.36 0.00 -0.03 0.00 0.00 56.01 55.13 3i5k n LEU 111 Cb 0.63 -2.68 0.08 0.00 -2.33 0.00 0.00 43.42 39.12 3i5k n LEU 111 CO 0.17 0.50 0.79 -0.24 -1.33 0.00 0.00 177.39 177.28 3i5k n SER 112 N -2.91 1.53 -0.09 -1.43 2.88 -0.41 -4.80 113.62 108.39 3i5k n SER 112 Ca -0.02 0.76 -0.08 0.00 -1.33 0.00 0.00 58.87 58.19 3i5k n SER 112 Cb 0.56 -1.51 -0.01 0.00 -0.75 0.00 0.00 64.21 62.50 3i5k n SER 112 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3i5k h GLY 113 N 0.14 0.44 0.84 0.46 0.00 -1.91 -0.96 103.07 102.08 3i5k h GLY 113 Ca -0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3i5k h GLY 113 CO 0.51 0.13 0.04 -0.09 0.00 0.00 0.00 176.54 177.13 3i5k h ARG 114 N 0.39 0.31 -0.10 4.80 2.43 -1.96 -1.99 114.38 118.26 3i5k h ARG 114 Ca 0.12 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3i5k h ARG 114 Cb -0.01 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3i5k h ARG 114 CO -0.05 0.45 -0.09 0.00 -1.51 0.00 0.00 179.97 178.76 3i5k h ALA 115 N 0.84 -0.02 -0.40 2.80 0.00 -1.85 -1.90 119.26 118.74 3i5k h ALA 115 Ca 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3i5k h ALA 115 Cb 0.28 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3i5k h ALA 115 CO 0.00 -0.55 0.10 0.28 0.00 0.00 0.00 179.25 179.08 3i5k h VAL 116 N -0.12 1.23 -0.59 0.00 2.07 -1.12 -0.80 116.25 116.91 3i5k h VAL 116 Ca 0.07 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 3i5k h VAL 116 Cb 0.22 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3i5k h VAL 116 CO -0.17 0.27 0.04 0.78 0.02 0.00 0.00 177.57 178.51 3i5k h ASN 117 N 0.50 0.97 -0.38 0.57 2.35 -1.35 -0.29 115.58 117.95 3i5k h ASN 117 Ca 0.13 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 3i5k h ASN 117 Cb 0.31 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3i5k h ASN 117 CO 0.00 1.00 0.03 -0.74 -1.65 0.00 0.00 177.43 176.07 3i5k h HIS 118 N 0.93 0.71 -0.55 1.19 2.76 -1.17 -1.94 115.15 117.09 3i5k h HIS 118 Ca 0.18 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3i5k h HIS 118 Cb 0.48 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 3i5k h HIS 118 CO 0.03 0.72 0.35 0.82 -1.30 0.00 0.00 177.93 178.56 3i5k h ILE 119 N 0.49 1.15 -0.76 6.26 2.04 -0.90 -0.26 117.51 125.52 3i5k h ILE 119 Ca 0.11 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3i5k h ILE 119 Cb 0.42 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 3i5k h ILE 119 CO 0.01 0.14 0.50 0.11 0.00 0.00 0.00 178.15 178.92 3i5k h LYS 120 N 0.74 0.86 -0.17 2.37 1.57 -0.98 -1.39 116.57 119.56 3i5k h LYS 120 Ca 0.20 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 3i5k h LYS 120 Cb -0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3i5k h LYS 120 CO -0.04 0.57 -0.52 1.03 -0.57 0.00 0.00 179.45 179.92 3i5k h SER 121 N 0.88 0.54 -0.24 0.86 0.87 -0.56 -1.83 113.55 114.07 3i5k h SER 121 Ca 0.32 -0.27 -0.19 0.00 -1.23 0.00 0.00 61.79 60.41 3i5k h SER 121 Cb 0.14 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3i5k h SER 121 CO -0.10 0.96 -0.59 0.58 -0.53 0.00 0.00 176.83 177.15 3i5k h VAL 122 N 0.38 1.28 -0.08 2.23 2.07 -0.54 -2.55 116.25 119.03 3i5k h VAL 122 Ca 0.01 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 65.75 3i5k h VAL 122 Cb 1.03 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3i5k h VAL 122 CO 0.09 0.58 0.03 -0.25 0.02 0.00 0.00 177.57 178.04 3i5k h TRP 123 N 0.63 0.12 -0.97 1.57 2.91 -1.22 -1.43 115.95 117.56 3i5k h TRP 123 Ca 0.00 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.07 3i5k h TRP 123 Cb 1.20 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.75 3i5k h TRP 123 CO 0.07 0.22 0.63 -0.22 -1.03 0.00 0.00 178.44 178.11 3i5k h LYS 124 N -0.02 1.14 -0.12 2.65 3.64 -1.34 -1.50 116.57 121.03 3i5k h LYS 124 Ca 0.03 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 3i5k h LYS 124 Cb 0.15 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3i5k h LYS 124 CO -0.00 0.76 -0.33 0.22 -2.27 0.00 0.00 179.45 177.83 3i5k h ASP 125 N 1.18 0.23 -0.78 4.20 3.58 -1.25 -1.21 116.42 122.37 3i5k h ASP 125 Ca 0.40 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.75 3i5k h ASP 125 Cb 0.09 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 3i5k h ASP 125 CO -0.14 0.55 0.39 -0.07 -2.88 0.00 0.00 179.24 177.10 3i5k h LEU 126 N 0.20 1.01 -0.68 2.28 3.38 -0.27 -0.72 115.31 120.50 3i5k h LEU 126 Ca 0.03 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 3i5k h LEU 126 Cb 0.68 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3i5k h LEU 126 CO 0.05 0.84 -0.54 -0.07 0.09 0.00 0.00 178.44 178.80 3i5k h LEU 127 N 1.11 0.36 0.00 1.67 3.38 -0.62 -3.31 115.31 117.90 3i5k h LEU 127 Ca 0.27 -0.19 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 3i5k h LEU 127 Cb 0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3i5k h LEU 127 CO -0.04 0.83 -1.51 -0.08 0.09 0.00 0.00 178.44 177.73 3i5k h GLU 128 N 0.25 0.00 -4.50 1.13 4.81 -1.09 -3.46 114.58 111.72 3i5k h GLU 128 Ca 0.00 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.60 3i5k h GLU 128 Cb 1.04 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.03 3i5k h GLU 128 CO 0.09 0.58 -0.78 0.34 -0.73 0.00 0.00 179.01 178.51 3i5k s ASP 129 N -6.20 4.15 -0.09 1.04 -1.08 -0.29 -4.98 116.67 109.21 3i5k s ASP 129 Ca -0.03 -1.39 0.18 0.00 -0.52 0.00 0.00 52.55 50.79 3i5k s ASP 129 Cb 0.08 -1.32 0.68 0.00 -1.46 0.00 0.00 42.92 40.90 3i5k s ASP 129 CO 0.82 -0.25 1.58 -0.81 0.52 0.00 0.00 175.17 177.03 3i5k n PRO 130 N 4.56 3.48 0.00 4.34 -0.04 -1.26 -4.62 135.00 141.47 3i5k n PRO 130 Ca -0.10 -2.69 -0.02 0.00 -0.04 0.00 0.00 63.50 60.65 3i5k n PRO 130 Cb 0.43 -1.83 -0.01 0.00 -0.04 0.00 0.00 33.50 32.06 3i5k n PRO 130 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i5k n GLN 131 N 1.13 0.04 -1.82 0.54 -0.06 -1.26 -4.49 117.38 111.46 3i5k n GLN 131 Ca 0.24 0.02 -0.42 0.00 -2.00 0.00 0.00 57.00 54.84 3i5k n GLN 131 Cb 0.82 -0.57 -0.03 0.00 -4.06 0.00 0.00 30.24 26.40 3i5k n GLN 131 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3i5k s THR 132 N -2.05 3.27 0.24 1.69 2.01 -1.26 -4.67 115.64 114.87 3i5k s THR 132 Ca -0.03 0.32 -0.31 0.00 0.31 0.00 0.00 61.69 61.99 3i5k s THR 132 Cb 0.01 -3.21 -0.14 0.00 0.01 0.00 0.00 72.50 69.17 3i5k s THR 132 CO 0.03 -0.03 1.32 -2.65 -0.69 0.00 0.00 174.62 172.60 3i5k n PRO 133 N 7.40 1.83 -3.24 4.92 -0.02 -1.26 -4.71 135.00 139.91 3i5k n PRO 133 Ca 0.19 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.93 3i5k n PRO 133 Cb 0.42 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3i5k n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i5k s ILE 134 N -0.27 5.15 0.50 4.25 1.01 0.32 -4.95 121.20 127.20 3i5k s ILE 134 Ca 0.67 1.08 -0.22 0.00 0.00 0.00 0.00 60.65 62.18 3i5k s ILE 134 Cb -0.68 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 37.85 3i5k s ILE 134 CO 0.52 0.30 1.21 -2.16 0.00 0.00 0.00 174.94 174.81 3i5k s PRO 135 N 0.74 3.53 0.26 2.79 0.04 -1.26 -4.45 135.00 136.64 3i5k s PRO 135 Ca 0.29 1.86 0.09 0.00 0.04 0.00 0.00 61.00 63.28 3i5k s PRO 135 Cb -0.16 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 3i5k s PRO 135 CO 0.12 -0.77 -0.13 0.95 0.04 0.00 0.00 177.00 177.21 3i5k s THR 136 N -1.52 2.00 -0.09 1.26 -4.23 -0.77 -4.38 115.64 107.92 3i5k s THR 136 Ca 0.67 -2.25 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 3i5k s THR 136 Cb -0.31 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 3i5k s THR 136 CO 0.37 -0.42 -0.03 -0.89 -0.54 0.00 0.00 174.62 173.11 3i5k s THR 137 N -2.80 4.06 -0.15 3.99 2.01 -0.07 -0.69 115.64 121.98 3i5k s THR 137 Ca 0.28 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 3i5k s THR 137 Cb -0.01 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 3i5k s THR 137 CO 0.12 0.59 -0.04 -0.51 -0.69 0.00 0.00 174.62 174.09 3i5k s ILE 138 N -0.72 3.91 0.07 1.82 2.07 -0.62 -1.63 121.20 126.10 3i5k s ILE 138 Ca 0.11 -0.35 0.03 0.00 -1.41 0.00 0.00 60.65 59.03 3i5k s ILE 138 Cb -0.11 -2.71 -0.03 0.00 0.13 0.00 0.00 42.46 39.74 3i5k s ILE 138 CO 0.02 0.50 -0.10 -0.04 -1.91 0.00 0.00 174.94 173.40 3i5k s MET 139 N 0.32 0.70 -0.20 3.50 -1.94 -0.13 -4.44 119.30 117.11 3i5k s MET 139 Ca -0.04 -0.93 -0.22 0.00 -1.71 0.00 0.00 55.69 52.80 3i5k s MET 139 Cb -0.14 -0.51 -0.02 0.00 2.01 0.00 0.00 34.83 36.17 3i5k s MET 139 CO 0.03 0.10 0.67 0.00 -0.01 0.00 0.00 175.02 175.80 3i5k s ALA 140 N -1.66 3.55 0.23 3.03 0.00 -1.26 -0.48 121.76 125.16 3i5k s ALA 140 Ca -0.03 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 3i5k s ALA 140 Cb -0.08 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 3i5k s ALA 140 CO 0.01 -0.60 1.28 0.21 0.00 0.00 0.00 175.76 176.66 3i5k s LYS 141 N 2.03 4.41 -0.57 0.00 2.20 0.02 -4.72 119.74 123.11 3i5k s LYS 141 Ca 0.30 2.05 -0.18 0.00 -0.36 0.00 0.00 55.97 57.79 3i5k s LYS 141 Cb -0.16 -3.17 0.11 0.00 -1.51 0.00 0.00 37.83 33.10 3i5k s LYS 141 CO 0.10 -0.19 0.61 -0.80 -0.36 0.00 0.00 175.35 174.71 3i5k s ASN 142 N 0.07 6.19 0.10 1.43 0.02 -1.26 -4.35 114.94 117.14 3i5k s ASN 142 Ca 0.54 -1.58 0.08 0.00 -1.02 0.00 0.00 52.86 50.88 3i5k s ASN 142 Cb -0.36 -2.26 -0.03 0.00 0.02 0.00 0.00 41.25 38.61 3i5k s ASN 142 CO 0.41 -1.00 -0.21 -1.61 0.02 0.00 0.00 177.10 174.71 3i5k s GLU 143 N 2.21 1.14 -0.15 -0.60 2.02 -1.25 -4.87 118.70 117.20 3i5k s GLU 143 Ca 0.08 -1.15 -0.06 0.00 0.02 0.00 0.00 54.97 53.85 3i5k s GLU 143 Cb -0.27 -1.40 -0.04 0.00 0.10 0.00 0.00 34.13 32.52 3i5k s GLU 143 CO 0.05 0.33 0.07 0.08 0.02 0.00 0.00 175.26 175.81 3i5k s VAL 144 N -1.14 4.90 0.17 2.63 1.01 -1.26 -0.75 120.40 125.95 3i5k s VAL 144 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 3i5k s VAL 144 Cb -0.10 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3i5k s VAL 144 CO 0.04 0.53 0.09 -0.36 0.00 0.00 0.00 175.10 175.40 3i5k s PHE 145 N -0.23 1.08 0.09 5.22 0.08 -0.65 -4.69 117.98 118.87 3i5k s PHE 145 Ca 0.08 -1.28 -0.13 0.00 0.12 0.00 0.00 56.93 55.72 3i5k s PHE 145 Cb -0.12 -0.57 -0.06 0.00 -0.57 0.00 0.00 43.02 41.70 3i5k s PHE 145 CO 0.01 -0.53 0.48 0.00 -0.10 0.00 0.00 175.22 175.08 3i5k s VAL 147 N -1.34 2.36 -0.32 0.00 -7.23 0.70 -4.97 120.40 109.60 3i5k s VAL 147 Ca 0.33 0.36 0.03 0.00 -1.81 0.00 0.00 61.98 60.89 3i5k s VAL 147 Cb -0.15 -3.23 0.09 0.00 0.56 0.00 0.00 36.38 33.65 3i5k s VAL 147 CO 0.18 0.08 0.04 -0.62 -0.31 0.00 0.00 175.10 174.47 3i5k s ASP 148 N -0.25 4.61 0.22 4.85 -1.08 -0.93 -5.00 116.67 119.08 3i5k s ASP 148 Ca 0.52 -1.99 -0.08 0.00 -0.52 0.00 0.00 52.55 50.48 3i5k s ASP 148 Cb -0.43 -1.51 0.17 0.00 -1.46 0.00 0.00 42.92 39.69 3i5k s ASP 148 CO 0.57 -0.36 1.82 1.55 0.52 0.00 0.00 175.17 179.27 3i5k h PRO 149 N 7.70 1.17 -0.69 4.34 0.13 -1.94 -0.69 132.00 142.01 3i5k h PRO 149 Ca -0.07 -0.16 0.14 0.00 -0.87 0.00 0.00 66.00 65.04 3i5k h PRO 149 Cb 1.02 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 3i5k h PRO 149 CO 0.50 0.89 0.47 0.00 -0.23 0.00 0.00 178.00 179.64 3i5k h ALA 150 N 1.22 2.17 -0.73 -0.56 0.00 -1.96 -2.81 119.26 116.58 3i5k h ALA 150 Ca 0.28 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.71 3i5k h ALA 150 Cb 0.10 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 17.56 3i5k h ALA 150 CO -0.04 -0.35 0.06 1.63 0.00 0.00 0.00 179.25 180.55 3i5k n LYS 151 N -4.46 2.67 -0.80 0.00 5.02 -0.87 -4.94 118.16 114.78 3i5k n LYS 151 Ca 0.13 -3.50 0.00 0.00 -2.02 0.00 0.00 58.31 52.91 3i5k n LYS 151 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 3i5k n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i5k n GLY 152 N -0.94 0.58 6.70 0.72 0.00 -1.06 -4.78 105.19 106.41 3i5k n GLY 152 Ca 0.48 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3i5k n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 153 N -2.54 1.85 3.65 -0.02 0.00 -0.32 -4.85 105.19 102.95 3i5k n GLY 153 Ca 0.00 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3i5k n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5k s LYS 154 N 0.00 2.87 0.16 1.61 1.02 -1.26 -2.20 119.74 121.94 3i5k s LYS 154 Ca 0.00 -0.49 -0.28 0.00 0.02 0.00 0.00 55.97 55.22 3i5k s LYS 154 Cb 0.00 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.53 3i5k s LYS 154 CO 0.00 0.68 0.88 0.15 -0.92 0.00 0.00 175.35 176.14 3i5k s LYS 155 N -0.94 4.70 0.68 1.68 1.02 -1.26 -5.07 119.74 120.54 3i5k s LYS 155 Ca 0.14 1.34 -0.15 0.00 0.02 0.00 0.00 55.97 57.32 3i5k s LYS 155 Cb -0.11 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3i5k s LYS 155 CO 0.03 0.43 1.12 -1.25 -0.92 0.00 0.00 175.35 174.75 3i5k s PRO 156 N -0.73 2.68 0.38 -1.68 0.04 -1.26 -4.84 135.00 129.59 3i5k s PRO 156 Ca 0.41 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 3i5k s PRO 156 Cb -0.24 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 3i5k s PRO 156 CO 0.29 -1.35 1.25 0.00 0.04 0.00 0.00 177.00 177.23 3i5k n ALA 157 N -2.53 1.13 -1.76 8.56 0.00 -1.26 -4.97 120.51 119.68 3i5k n ALA 157 Ca 0.11 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.53 3i5k n ALA 157 Cb 0.52 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 3i5k n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i5k s ARG 158 N -2.00 3.68 -0.15 0.00 0.52 -1.26 -4.70 118.95 115.04 3i5k s ARG 158 Ca 0.58 1.17 -0.07 0.00 -0.52 0.00 0.00 55.73 56.89 3i5k s ARG 158 Cb -0.55 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 3i5k s ARG 158 CO 0.60 -0.51 0.08 -0.51 0.02 0.00 0.00 175.30 174.98 3i5k s LEU 159 N -4.04 3.98 -0.10 2.53 1.43 -1.26 -0.80 118.68 120.42 3i5k s LEU 159 Ca 0.63 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 3i5k s LEU 159 Cb -0.14 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 3i5k s LEU 159 CO 0.29 0.27 -0.18 -0.51 0.23 0.00 0.00 176.35 176.46 3i5k s ILE 160 N -0.22 2.63 -0.19 -0.59 2.07 0.37 -4.84 121.20 120.43 3i5k s ILE 160 Ca 0.09 -0.82 0.01 0.00 -1.41 0.00 0.00 60.65 58.51 3i5k s ILE 160 Cb -0.12 -2.06 0.03 0.00 0.13 0.00 0.00 42.46 40.44 3i5k s ILE 160 CO 0.01 0.55 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.74 3i5k s VAL 161 N 0.19 1.90 0.02 4.00 1.01 -1.26 -0.95 120.40 125.30 3i5k s VAL 161 Ca -0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 3i5k s VAL 161 Cb -0.16 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3i5k s VAL 161 CO 0.06 0.38 0.05 -0.72 0.00 0.00 0.00 175.10 174.87 3i5k s TYR 162 N 1.32 0.19 0.79 5.22 -0.85 -0.64 -1.08 117.35 122.31 3i5k s TYR 162 Ca 0.02 -0.43 -0.08 0.00 -0.52 0.00 0.00 57.07 56.06 3i5k s TYR 162 Cb -0.15 -0.15 0.13 0.00 0.38 0.00 0.00 41.96 42.17 3i5k s TYR 162 CO -0.11 -0.28 1.11 -1.25 -1.52 0.00 0.00 175.55 173.51 3i5k s PRO 163 N -1.87 1.53 0.50 -3.49 0.04 -1.26 -0.89 135.00 129.56 3i5k s PRO 163 Ca -0.12 -0.55 -0.23 0.00 0.04 0.00 0.00 61.00 60.14 3i5k s PRO 163 Cb -0.06 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 3i5k s PRO 163 CO -0.02 -1.69 1.39 0.34 0.04 0.00 0.00 177.00 177.07 3i5k s ASP 164 N -4.70 5.56 0.25 6.66 2.15 -1.26 -4.75 116.67 120.58 3i5k s ASP 164 Ca 0.66 2.85 -0.03 0.00 0.43 0.00 0.00 52.55 56.46 3i5k s ASP 164 Cb -0.07 -2.64 0.52 0.00 -0.30 0.00 0.00 42.92 40.42 3i5k s ASP 164 CO 0.47 -1.38 1.33 -0.11 -0.17 0.00 0.00 175.17 175.31 3i5k n LEU 165 N -0.62 -0.20 -0.20 -1.34 7.94 -1.26 -0.72 117.00 120.60 3i5k n LEU 165 Ca 0.08 1.45 0.00 0.00 -1.11 0.00 0.00 56.01 56.43 3i5k n LEU 165 Cb 0.43 -0.48 0.11 0.00 0.53 0.00 0.00 43.42 44.01 3i5k n LEU 165 CO 0.56 -1.43 0.96 1.23 -1.11 0.00 0.00 177.39 177.59 3i5k h GLY 166 N 0.00 0.82 1.07 -3.96 0.00 -1.94 -1.59 103.07 97.47 3i5k h GLY 166 Ca 0.46 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 3i5k h GLY 166 CO -0.84 -0.06 0.15 -2.08 0.00 0.00 0.00 176.54 173.71 3i5k h VAL 167 N 0.34 1.26 -0.57 4.60 2.07 -1.27 -2.98 116.25 119.70 3i5k h VAL 167 Ca 0.31 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3i5k h VAL 167 Cb 0.43 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3i5k h VAL 167 CO -0.35 0.38 0.29 0.03 0.02 0.00 0.00 177.57 177.94 3i5k h ARG 168 N 1.06 0.79 -0.42 1.57 3.08 -0.52 -0.65 114.38 119.29 3i5k h ARG 168 Ca 0.22 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3i5k h ARG 168 Cb 0.40 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3i5k h ARG 168 CO 0.01 0.60 0.00 0.28 -1.07 0.00 0.00 179.97 179.79 3i5k h VAL 169 N 0.80 1.26 -0.64 2.04 2.07 -1.28 -3.00 116.25 117.50 3i5k h VAL 169 Ca 0.20 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3i5k h VAL 169 Cb 0.06 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3i5k h VAL 169 CO -0.03 0.35 0.32 0.00 0.02 0.00 0.00 177.57 178.23 3i5k h GLU 171 N 0.90 1.01 -0.36 0.00 5.08 -1.01 -2.05 114.58 118.15 3i5k h GLU 171 Ca 0.22 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3i5k h GLU 171 Cb 0.07 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3i5k h GLU 171 CO -0.03 0.67 0.08 0.87 -1.00 0.00 0.00 179.01 179.60 3i5k h LYS 172 N 1.04 0.58 -0.62 2.33 1.57 -1.31 0.58 116.57 120.74 3i5k h LYS 172 Ca 0.40 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 59.11 3i5k h LYS 172 Cb 0.19 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 3i5k h LYS 172 CO -0.18 0.63 0.30 0.52 -0.57 0.00 0.00 179.45 180.15 3i5k h MET 173 N 0.43 0.53 0.09 3.15 2.86 -1.11 -1.31 114.93 119.57 3i5k h MET 173 Ca 0.11 -0.03 -0.28 0.00 -2.06 0.00 0.00 59.70 57.44 3i5k h MET 173 Cb 0.31 -0.12 0.02 0.00 0.06 0.00 0.00 31.60 31.87 3i5k h MET 173 CO 0.00 0.35 -1.17 0.00 1.06 0.00 0.00 176.91 177.16 3i5k h ALA 174 N 1.36 0.11 0.00 6.32 0.00 -1.20 -1.30 119.26 124.55 3i5k h ALA 174 Ca 0.29 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i5k h ALA 174 Cb 0.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i5k h ALA 174 CO -0.23 0.77 -0.01 1.28 0.00 0.00 0.00 179.25 181.06 3i5k n LEU 175 N -3.74 0.00 -0.16 0.00 4.77 0.18 -4.82 117.00 113.24 3i5k n LEU 175 Ca -0.11 -0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 55.45 3i5k n LEU 175 Cb 0.95 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.04 3i5k n LEU 175 CO 0.56 0.00 0.87 0.22 -1.33 0.00 0.00 177.39 177.71 3i5k h TYR 176 N 0.00 0.76 -0.27 -1.77 3.20 -1.35 -2.10 116.97 115.44 3i5k h TYR 176 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3i5k h TYR 176 Cb 0.00 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3i5k h TYR 176 CO 0.00 0.70 0.17 0.22 -1.64 0.00 0.00 178.16 177.61 3i5k h ASP 177 N 0.59 0.32 -0.54 -2.11 3.58 -1.79 -1.47 116.42 115.00 3i5k h ASP 177 Ca 0.14 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3i5k h ASP 177 Cb 0.33 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 3i5k h ASP 177 CO 0.00 0.24 0.31 0.40 -2.88 0.00 0.00 179.24 177.32 3i5k h ILE 178 N 0.37 1.17 0.00 2.25 2.04 -1.70 -2.54 117.51 119.10 3i5k h ILE 178 Ca 0.10 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3i5k h ILE 178 Cb -0.03 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3i5k h ILE 178 CO -0.02 0.18 -0.01 0.71 0.00 0.00 0.00 178.15 179.01 3i5k h THR 179 N 0.72 0.24 0.00 -0.27 1.35 -0.80 0.22 112.91 114.37 3i5k h THR 179 Ca 0.19 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 3i5k h THR 179 Cb 0.01 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3i5k h THR 179 CO -0.03 0.01 -0.67 1.56 -0.25 0.00 0.00 175.52 176.13 3i5k h GLN 180 N 0.00 0.00 0.00 4.72 1.08 -1.25 -3.42 115.11 116.24 3i5k h GLN 180 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i5k h GLN 180 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3i5k h GLN 180 CO 0.00 0.00 -0.85 1.63 -0.95 0.00 0.00 178.83 178.66 3i5k n LYS 181 N -2.55 0.57 -0.03 1.46 5.02 -0.80 -4.91 118.16 116.92 3i5k n LYS 181 Ca 0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 3i5k n LYS 181 Cb 0.51 -0.93 -0.08 0.00 -0.02 0.00 0.00 35.03 34.51 3i5k n LYS 181 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3i5k h LEU 182 N 0.00 0.19 -0.97 -0.35 5.85 -0.84 -2.83 115.31 116.36 3i5k h LEU 182 Ca 0.00 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.32 3i5k h LEU 182 Cb 0.85 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 3i5k h LEU 182 CO 0.00 0.58 0.63 -0.65 -0.34 0.00 0.00 178.44 178.67 3i5k h PRO 183 N -0.20 1.20 -0.81 5.25 0.11 -1.82 -1.58 132.00 134.16 3i5k h PRO 183 Ca 0.02 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3i5k h PRO 183 Cb 0.52 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 3i5k h PRO 183 CO 0.01 0.80 0.39 1.96 -0.21 0.00 0.00 178.00 180.95 3i5k h GLN 184 N 1.24 1.16 -0.39 1.05 7.50 -1.83 -0.91 115.11 122.92 3i5k h GLN 184 Ca 0.38 -0.17 -0.07 0.00 0.50 0.00 0.00 58.65 59.30 3i5k h GLN 184 Cb -0.02 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.28 3i5k h GLN 184 CO -0.12 0.89 -0.04 0.00 -1.50 0.00 0.00 178.83 178.07 3i5k h ALA 185 N 1.27 1.21 0.00 3.87 0.00 -1.06 0.27 119.26 124.82 3i5k h ALA 185 Ca 0.28 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 3i5k h ALA 185 Cb 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3i5k h ALA 185 CO -0.04 0.52 -1.84 1.33 0.00 0.00 0.00 179.25 179.22 3i5k n VAL 186 N -4.23 1.13 -0.34 0.00 0.24 -0.72 -4.57 118.33 109.84 3i5k n VAL 186 Ca 0.02 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 3i5k n VAL 186 Cb 0.29 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 3i5k n VAL 186 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3i5k n MET 187 N -2.77 -0.55 0.00 7.34 0.00 -0.37 -4.90 117.12 115.87 3i5k n MET 187 Ca -0.17 -0.37 0.00 0.00 0.00 0.00 0.00 57.70 57.16 3i5k n MET 187 Cb 0.93 -0.83 0.00 0.00 0.00 0.00 0.00 33.22 33.31 3i5k n MET 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i5k n GLY 188 N -0.01 3.36 0.12 3.17 0.00 0.93 -1.67 105.19 111.10 3i5k n GLY 188 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3i5k n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k n ALA 189 N 10.84 1.19 0.41 4.61 0.00 -1.26 -2.22 120.51 134.07 3i5k n ALA 189 Ca 0.00 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.70 3i5k n ALA 189 Cb 0.00 -1.27 0.39 0.00 0.00 0.00 0.00 19.45 18.57 3i5k n ALA 189 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i5k h SER 190 N 0.00 0.00 -3.13 0.00 0.02 -1.50 -3.43 113.55 105.50 3i5k h SER 190 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 3i5k h SER 190 Cb 0.09 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 3i5k h SER 190 CO 0.00 0.00 1.10 -0.47 -1.14 0.00 0.00 176.83 176.32 3i5k s TYR 191 N -3.26 2.32 0.24 3.45 5.04 -0.94 -0.04 117.35 124.17 3i5k s TYR 191 Ca 0.07 0.63 0.09 0.00 -2.44 0.00 0.00 57.07 55.42 3i5k s TYR 191 Cb 0.09 -4.32 0.24 0.00 0.35 0.00 0.00 41.96 38.32 3i5k s TYR 191 CO 0.58 -2.04 1.54 0.78 -1.34 0.00 0.00 175.55 175.08 3i5k h GLY 192 N 12.58 0.05 1.90 8.97 0.00 -1.37 -3.30 103.07 121.90 3i5k h GLY 192 Ca -0.28 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3i5k h GLY 192 CO 1.11 0.07 0.00 0.69 0.00 0.00 0.00 176.54 178.40 3i5k n PHE 193 N -3.74 0.00 1.21 5.60 3.72 -1.26 -2.24 117.46 120.75 3i5k n PHE 193 Ca -0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.53 3i5k n PHE 193 Cb 0.67 -0.45 0.69 0.00 -0.94 0.00 0.00 39.48 39.45 3i5k n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i5k n GLN 194 N -1.45 0.21 -4.20 -1.08 10.64 -1.24 -2.73 117.38 117.53 3i5k n GLN 194 Ca 0.06 -0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.88 3i5k n GLN 194 Cb 0.20 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.98 3i5k n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3i5k s TYR 195 N -2.79 3.18 0.86 2.61 2.02 -0.95 -4.31 117.35 117.97 3i5k s TYR 195 Ca 0.21 0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.83 3i5k s TYR 195 Cb 0.20 -1.97 0.11 0.00 -0.40 0.00 0.00 41.96 39.90 3i5k s TYR 195 CO 0.50 0.21 1.09 -1.54 -1.57 0.00 0.00 175.55 174.24 3i5k s SER 196 N -0.01 3.73 0.28 2.29 1.04 -1.26 -4.75 113.70 115.01 3i5k s SER 196 Ca 0.04 1.70 0.02 0.00 0.48 0.00 0.00 55.95 58.19 3i5k s SER 196 Cb -0.13 -2.36 0.61 0.00 0.10 0.00 0.00 66.02 64.25 3i5k s SER 196 CO 0.02 -2.51 1.77 -0.65 0.98 0.00 0.00 173.24 172.84 3i5k h PRO 197 N -1.46 0.67 -0.13 4.02 0.11 -1.92 -0.05 132.00 133.25 3i5k h PRO 197 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3i5k h PRO 197 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3i5k h PRO 197 CO 0.52 0.44 -0.18 0.00 -0.21 0.00 0.00 178.00 178.57 3i5k h ALA 198 N 1.59 1.47 -0.02 -0.75 0.00 -1.92 -1.03 119.26 118.60 3i5k h ALA 198 Ca 0.51 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 3i5k h ALA 198 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3i5k h ALA 198 CO -0.37 0.37 -0.83 1.96 0.00 0.00 0.00 179.25 180.39 3i5k h GLN 199 N 0.19 0.28 -0.44 0.00 4.20 -1.42 -1.87 115.11 116.05 3i5k h GLN 199 Ca 0.04 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 3i5k h GLN 199 Cb 0.43 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3i5k h GLN 199 CO 0.03 0.96 0.20 -0.09 -0.67 0.00 0.00 178.83 179.26 3i5k h ARG 200 N 0.17 0.65 -0.26 1.46 2.43 -0.66 -1.72 114.38 116.45 3i5k h ARG 200 Ca -0.04 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3i5k h ARG 200 Cb 1.43 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 3i5k h ARG 200 CO 0.13 0.58 0.11 0.28 -1.51 0.00 0.00 179.97 179.56 3i5k h VAL 201 N 0.58 0.95 -0.91 0.20 2.07 -1.11 -1.49 116.25 116.54 3i5k h VAL 201 Ca 0.15 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3i5k h VAL 201 Cb 0.15 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3i5k h VAL 201 CO -0.02 0.04 0.54 -0.08 0.02 0.00 0.00 177.57 178.07 3i5k h GLU 202 N 0.23 1.24 -0.17 1.57 4.81 -1.22 -0.95 114.58 120.09 3i5k h GLU 202 Ca 0.11 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3i5k h GLU 202 Cb 0.06 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3i5k h GLU 202 CO -0.10 0.88 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.10 3i5k h TYR 203 N 1.26 0.37 -0.69 0.92 3.20 -1.14 -1.90 116.97 118.99 3i5k h TYR 203 Ca 0.33 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3i5k h TYR 203 Cb -0.03 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3i5k h TYR 203 CO 0.01 0.59 0.38 -0.07 -1.64 0.00 0.00 178.16 177.43 3i5k h LEU 204 N 0.05 0.86 -0.25 2.82 3.38 -1.10 0.04 115.31 121.11 3i5k h LEU 204 Ca 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3i5k h LEU 204 Cb 0.47 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3i5k h LEU 204 CO 0.02 0.71 0.13 -0.07 0.09 0.00 0.00 178.44 179.31 3i5k h LEU 205 N 0.95 0.32 -0.26 1.67 3.38 -1.17 -1.36 115.31 118.84 3i5k h LEU 205 Ca 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3i5k h LEU 205 Cb 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3i5k h LEU 205 CO -0.04 0.34 0.15 0.50 0.09 0.00 0.00 178.44 179.48 3i5k h LYS 206 N 0.28 0.36 -0.56 1.13 3.64 -1.24 -0.68 116.57 119.49 3i5k h LYS 206 Ca 0.09 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3i5k h LYS 206 Cb 0.10 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.77 3i5k h LYS 206 CO -0.01 0.30 0.12 0.00 -2.27 0.00 0.00 179.45 177.59 3i5k h ALA 207 N 1.04 0.66 -0.36 5.00 0.00 -0.85 -1.80 119.26 122.95 3i5k h ALA 207 Ca 0.09 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3i5k h ALA 207 Cb 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i5k h ALA 207 CO -0.02 -0.30 -0.20 2.35 0.00 0.00 0.00 179.25 181.08 3i5k h TRP 208 N 0.26 0.90 0.00 0.00 2.91 -1.03 -3.20 115.95 115.79 3i5k h TRP 208 Ca 0.29 -0.23 -0.11 0.00 1.13 0.00 0.00 58.89 59.97 3i5k h TRP 208 Cb 0.41 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 3i5k h TRP 208 CO -0.24 0.98 -0.51 0.00 -1.03 0.00 0.00 178.44 177.64 3i5k h ALA 209 N 0.79 0.96 0.00 2.65 0.00 -0.92 -3.02 119.26 119.72 3i5k h ALA 209 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i5k h ALA 209 Cb 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3i5k h ALA 209 CO 0.06 0.64 0.00 -0.85 0.00 0.00 0.00 179.25 179.10 3i5k n GLU 210 N -3.64 0.01 -3.33 0.00 0.28 -0.70 -4.75 120.64 108.51 3i5k n GLU 210 Ca -0.01 0.03 -0.38 0.00 -0.16 0.00 0.00 57.16 56.65 3i5k n GLU 210 Cb 0.58 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.89 3i5k n GLU 210 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3i5k s LYS 211 N -2.99 4.11 0.16 3.44 -0.14 -1.14 -4.98 119.74 118.20 3i5k s LYS 211 Ca 0.13 0.63 -0.11 0.00 -1.36 0.00 0.00 55.97 55.27 3i5k s LYS 211 Cb 0.18 -3.17 0.03 0.00 -1.68 0.00 0.00 37.83 33.19 3i5k s LYS 211 CO 0.49 0.61 1.60 -0.22 -0.76 0.00 0.00 175.35 177.08 3i5k h LYS 212 N 4.35 0.98 -2.33 1.68 3.64 -1.88 -3.38 116.57 119.63 3i5k h LYS 212 Ca -0.50 -0.34 -0.54 0.00 -1.27 0.00 0.00 60.65 58.00 3i5k h LYS 212 Cb 1.21 -0.07 -0.37 0.00 -0.41 0.00 0.00 32.23 32.59 3i5k h LYS 212 CO 0.64 1.01 -0.88 0.34 -2.27 0.00 0.00 179.45 178.29 3i5k s ASP 213 N -6.53 1.78 0.32 4.20 2.15 -1.26 -5.09 116.67 112.23 3i5k s ASP 213 Ca -0.12 -2.56 -0.29 0.00 0.43 0.00 0.00 52.55 50.01 3i5k s ASP 213 Cb 0.12 -0.21 -0.10 0.00 -0.30 0.00 0.00 42.92 42.43 3i5k s ASP 213 CO 0.85 -0.22 1.29 -2.16 -0.17 0.00 0.00 175.17 174.76 3i5k s PRO 214 N 0.58 4.39 -0.03 4.34 0.04 -1.26 -0.25 135.00 142.81 3i5k s PRO 214 Ca 0.26 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.48 3i5k s PRO 214 Cb -0.07 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.39 3i5k s PRO 214 CO -0.10 -0.15 -0.05 1.41 0.04 0.00 0.00 177.00 178.14 3i5k s MET 215 N -1.62 0.72 0.18 4.56 1.75 -0.23 -4.70 119.30 119.97 3i5k s MET 215 Ca 0.49 -0.16 0.08 0.00 -1.25 0.00 0.00 55.69 54.85 3i5k s MET 215 Cb -0.39 -0.71 -0.04 0.00 2.84 0.00 0.00 34.83 36.52 3i5k s MET 215 CO 0.50 0.01 -0.16 0.20 -0.65 0.00 0.00 175.02 174.92 3i5k s GLY 216 N 0.49 1.39 0.10 2.11 0.00 -0.16 -0.51 107.32 110.74 3i5k s GLY 216 Ca -0.06 -1.55 -0.13 0.00 0.00 0.00 0.00 44.72 42.98 3i5k s GLY 216 CO 0.00 -1.62 0.30 -0.11 0.00 0.00 0.00 173.10 171.66 3i5k s PHE 217 N -2.45 -0.04 -0.14 1.90 -0.12 -0.35 -0.28 117.98 116.50 3i5k s PHE 217 Ca 0.18 -0.30 -0.05 0.00 -0.05 0.00 0.00 56.93 56.71 3i5k s PHE 217 Cb -0.04 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 3i5k s PHE 217 CO 0.07 -0.60 0.05 -1.12 -0.05 0.00 0.00 175.22 173.56 3i5k s SER 218 N -2.71 5.60 -0.27 1.98 0.01 -1.26 -1.12 113.70 115.93 3i5k s SER 218 Ca 0.02 0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.35 3i5k s SER 218 Cb 0.03 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 3i5k s SER 218 CO -0.10 0.28 0.14 -0.47 0.41 0.00 0.00 173.24 173.49 3i5k s TYR 219 N -0.27 3.16 -0.41 2.43 5.04 -0.67 -4.45 117.35 122.18 3i5k s TYR 219 Ca 0.08 -0.22 -0.11 0.00 -2.44 0.00 0.00 57.07 54.38 3i5k s TYR 219 Cb -0.12 -2.32 0.06 0.00 0.35 0.00 0.00 41.96 39.93 3i5k s TYR 219 CO 0.02 -0.29 0.26 -0.51 -1.34 0.00 0.00 175.55 173.68 3i5k s ASP 220 N 1.68 5.73 0.09 4.32 1.01 -1.26 -4.07 116.67 124.17 3i5k s ASP 220 Ca 0.06 -1.29 -0.29 0.00 0.71 0.00 0.00 52.55 51.74 3i5k s ASP 220 Cb -0.16 -2.02 -0.05 0.00 1.01 0.00 0.00 42.92 41.69 3i5k s ASP 220 CO 0.07 -0.49 0.93 -0.89 0.21 0.00 0.00 175.17 175.00 3i5k s THR 221 N 1.50 4.57 -0.34 -1.27 2.01 -1.26 0.42 115.64 121.26 3i5k s THR 221 Ca 0.03 2.00 -0.29 0.00 0.31 0.00 0.00 61.69 63.74 3i5k s THR 221 Cb -0.22 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.00 3i5k s THR 221 CO 0.04 0.31 1.48 -0.60 -0.69 0.00 0.00 174.62 175.17 3i5k s ARG 222 N 0.07 3.65 -0.90 4.92 3.52 -0.29 -3.99 118.95 125.93 3i5k s ARG 222 Ca 0.46 1.21 -0.07 0.00 -0.13 0.00 0.00 55.73 57.20 3i5k s ARG 222 Cb -0.23 -4.02 -0.00 0.00 -1.56 0.00 0.00 34.95 29.14 3i5k s ARG 222 CO 0.29 -1.46 0.70 0.00 -0.81 0.00 0.00 175.30 174.02 3i5k h PHE 224 N -0.56 -0.45 -1.01 0.00 3.57 -1.96 -0.88 116.94 115.65 3i5k h PHE 224 Ca -0.43 0.05 0.23 0.00 3.53 0.00 0.00 57.97 61.35 3i5k h PHE 224 Cb 1.25 0.27 -0.11 0.00 2.79 0.00 0.00 35.95 40.15 3i5k h PHE 224 CO 0.25 -0.27 0.61 -0.44 -2.23 0.00 0.00 178.31 176.24 3i5k h ASP 225 N -0.09 0.66 1.24 0.41 3.32 -1.91 -0.17 116.42 119.88 3i5k h ASP 225 Ca 0.22 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3i5k h ASP 225 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3i5k h ASP 225 CO -0.51 0.16 -0.18 0.28 -1.72 0.00 0.00 179.24 177.27 3i5k h SER 226 N 0.60 0.00 1.42 6.45 0.02 -1.47 -2.45 113.55 118.12 3i5k h SER 226 Ca 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 3i5k h SER 226 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3i5k h SER 226 CO -0.40 0.18 -0.40 0.71 -1.14 0.00 0.00 176.83 175.78 3i5k h THR 227 N 0.00 0.00 -2.71 -2.27 1.35 -0.81 -3.44 112.91 105.04 3i5k h THR 227 Ca -0.00 -0.82 -0.56 0.00 -0.55 0.00 0.00 66.41 64.48 3i5k h THR 227 Cb 0.85 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.85 3i5k h THR 227 CO 0.02 0.00 1.11 -0.69 -0.25 0.00 0.00 175.52 175.71 3i5k s VAL 228 N -3.23 3.68 0.47 6.82 1.01 -1.02 -4.78 120.40 123.35 3i5k s VAL 228 Ca 0.05 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 3i5k s VAL 228 Cb 0.09 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3i5k s VAL 228 CO 0.70 -0.21 0.75 0.42 0.00 0.00 0.00 175.10 176.77 3i5k s THR 229 N 4.81 4.76 0.28 3.92 -4.23 -1.26 -3.86 115.64 120.06 3i5k s THR 229 Ca 0.72 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 61.28 3i5k s THR 229 Cb -0.27 -3.80 0.27 0.00 1.34 0.00 0.00 72.50 70.04 3i5k s THR 229 CO 0.28 -0.73 1.72 -0.33 -0.54 0.00 0.00 174.62 175.02 3i5k h GLU 230 N 0.28 0.45 -0.64 3.99 5.08 -1.85 -0.49 114.58 121.41 3i5k h GLU 230 Ca -0.47 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 3i5k h GLU 230 Cb 1.21 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 3i5k h GLU 230 CO 0.61 0.30 0.32 -0.09 -1.00 0.00 0.00 179.01 179.15 3i5k h ARG 231 N 0.46 0.91 -0.78 2.33 2.43 -1.96 -0.54 114.38 117.25 3i5k h ARG 231 Ca 0.53 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.67 3i5k h ARG 231 Cb 0.93 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.24 3i5k h ARG 231 CO -0.48 0.72 0.41 -0.44 -1.51 0.00 0.00 179.97 178.68 3i5k h ASP 232 N 0.88 0.56 0.33 -3.80 3.32 -1.51 0.18 116.42 116.38 3i5k h ASP 232 Ca 0.22 0.06 -0.18 0.00 0.02 0.00 0.00 57.03 57.15 3i5k h ASP 232 Cb 0.10 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3i5k h ASP 232 CO -0.03 0.31 -0.72 0.40 -1.72 0.00 0.00 179.24 177.48 3i5k h ILE 233 N 0.69 1.40 -0.07 0.35 2.04 -0.72 -1.43 117.51 119.76 3i5k h ILE 233 Ca 0.38 -2.17 -0.17 0.00 1.00 0.00 0.00 64.86 63.91 3i5k h ILE 233 Cb 0.40 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3i5k h ILE 233 CO -0.27 0.65 -0.68 0.03 0.00 0.00 0.00 178.15 177.87 3i5k h ARG 234 N 0.22 0.33 -0.72 2.37 3.08 -0.79 -2.57 114.38 116.31 3i5k h ARG 234 Ca -0.03 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 3i5k h ARG 234 Cb 1.28 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.34 3i5k h ARG 234 CO 0.12 0.89 0.44 1.15 -1.07 0.00 0.00 179.97 181.50 3i5k h THR 235 N 0.23 1.20 -0.64 2.04 2.02 -0.48 -0.94 112.91 116.34 3i5k h THR 235 Ca -0.02 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 66.78 3i5k h THR 235 Cb 1.23 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 3i5k h THR 235 CO 0.11 0.21 0.36 -0.33 0.37 0.00 0.00 175.52 176.24 3i5k h GLU 236 N 0.98 0.64 -0.62 6.66 5.08 -1.19 -1.68 114.58 124.45 3i5k h GLU 236 Ca 0.26 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3i5k h GLU 236 Cb -0.04 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 3i5k h GLU 236 CO -0.05 0.43 0.38 1.49 -1.00 0.00 0.00 179.01 180.25 3i5k h GLU 237 N 0.66 0.71 -0.13 2.33 4.81 -1.01 -0.23 114.58 121.73 3i5k h GLU 237 Ca 0.29 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3i5k h GLU 237 Cb 0.17 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3i5k h GLU 237 CO -0.17 0.47 0.01 0.66 -0.73 0.00 0.00 179.01 179.25 3i5k h SER 238 N 0.73 0.16 -0.12 1.04 4.64 -0.64 0.11 113.55 119.46 3i5k h SER 238 Ca 0.26 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.49 3i5k h SER 238 Cb 0.05 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3i5k h SER 238 CO -0.12 0.19 -0.20 0.40 -0.87 0.00 0.00 176.83 176.23 3i5k h ILE 239 N 0.18 1.37 -0.84 0.95 2.04 -0.42 -2.17 117.51 118.62 3i5k h ILE 239 Ca 0.05 -1.43 0.07 0.00 1.00 0.00 0.00 64.86 64.54 3i5k h ILE 239 Cb 0.11 2.01 -0.07 0.00 -0.74 0.00 0.00 36.82 38.13 3i5k h ILE 239 CO 0.00 0.42 0.51 1.88 0.00 0.00 0.00 178.15 180.96 3i5k h TYR 240 N -0.06 0.94 0.00 1.37 0.05 -0.56 -2.46 116.97 116.25 3i5k h TYR 240 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3i5k h TYR 240 Cb 0.76 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3i5k h TYR 240 CO 0.10 0.44 0.00 1.04 -1.05 0.00 0.00 178.16 178.69 3i5k n GLN 241 N -4.67 0.19 0.26 4.88 1.13 0.32 -2.66 117.38 116.84 3i5k n GLN 241 Ca 0.13 0.30 0.15 0.00 -1.94 0.00 0.00 57.00 55.64 3i5k n GLN 241 Cb 0.21 -1.80 0.54 0.00 0.11 0.00 0.00 30.24 29.30 3i5k n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i5k h ALA 242 N 2.43 1.00 -2.42 -1.58 0.00 -0.89 -3.45 119.26 114.35 3i5k h ALA 242 Ca 0.00 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.36 3i5k h ALA 242 Cb 0.51 -0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.42 3i5k h ALA 242 CO 0.00 0.04 0.34 0.00 0.00 0.00 0.00 179.25 179.64 3i5k s SER 244 N -2.81 6.60 0.21 0.00 0.01 0.44 -4.98 113.70 113.17 3i5k s SER 244 Ca 0.66 0.73 0.10 0.00 1.31 0.00 0.00 55.95 58.75 3i5k s SER 244 Cb -0.20 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.43 3i5k s SER 244 CO 0.48 -1.23 -0.19 -0.76 0.41 0.00 0.00 173.24 171.95 3i5k s LEU 245 N 4.60 2.51 0.62 2.44 1.43 -1.26 -1.56 118.68 127.46 3i5k s LEU 245 Ca 0.52 -0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 3i5k s LEU 245 Cb -0.11 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 3i5k s LEU 245 CO 0.29 -0.01 1.12 -2.16 0.23 0.00 0.00 176.35 175.82 3i5k s PRO 246 N -3.15 3.00 0.22 1.29 0.04 -1.26 -4.91 135.00 130.22 3i5k s PRO 246 Ca 0.22 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 3i5k s PRO 246 Cb -0.05 -1.97 0.28 0.00 0.04 0.00 0.00 34.50 32.80 3i5k s PRO 246 CO 0.10 -1.11 1.62 0.93 0.04 0.00 0.00 177.00 178.59 3i5k h GLU 247 N 0.44 0.01 -0.96 4.56 4.39 -2.00 -2.26 114.58 118.76 3i5k h GLU 247 Ca -0.48 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.27 3i5k h GLU 247 Cb 1.25 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.84 3i5k h GLU 247 CO 0.55 0.01 0.63 1.49 -1.16 0.00 0.00 179.01 180.53 3i5k h GLU 248 N 0.02 1.14 -0.42 2.33 4.81 -2.00 -1.53 114.58 118.92 3i5k h GLU 248 Ca 0.33 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 3i5k h GLU 248 Cb 0.52 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3i5k h GLU 248 CO -0.68 0.75 -0.23 0.00 -0.73 0.00 0.00 179.01 178.12 3i5k h ALA 249 N 1.45 0.79 -0.48 2.92 0.00 -1.79 -1.93 119.26 120.22 3i5k h ALA 249 Ca 0.39 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3i5k h ALA 249 Cb 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3i5k h ALA 249 CO -0.13 0.65 0.15 0.00 0.00 0.00 0.00 179.25 179.92 3i5k h ARG 250 N 0.74 0.30 0.14 0.00 3.08 -1.03 0.53 114.38 118.15 3i5k h ARG 250 Ca 0.10 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3i5k h ARG 250 Cb 0.78 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3i5k h ARG 250 CO 0.06 0.20 -0.07 1.15 -1.07 0.00 0.00 179.97 180.25 3i5k h THR 251 N 0.31 0.91 -0.66 2.04 2.02 -1.16 -1.79 112.91 114.58 3i5k h THR 251 Ca 0.23 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 3i5k h THR 251 Cb 0.26 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3i5k h THR 251 CO -0.25 0.04 0.15 0.00 0.37 0.00 0.00 175.52 175.83 3i5k h ALA 252 N 0.59 1.00 -0.65 6.16 0.00 -1.17 -1.72 119.26 123.47 3i5k h ALA 252 Ca -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3i5k h ALA 252 Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3i5k h ALA 252 CO 0.03 0.64 0.08 0.82 0.00 0.00 0.00 179.25 180.82 3i5k h ILE 253 N 1.01 1.26 -0.33 0.00 2.04 -0.85 0.20 117.51 120.84 3i5k h ILE 253 Ca 0.21 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 3i5k h ILE 253 Cb 0.38 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3i5k h ILE 253 CO 0.00 0.39 0.09 -0.74 0.00 0.00 0.00 178.15 177.90 3i5k h HIS 254 N 1.01 0.54 -0.49 1.37 2.76 -1.07 -0.93 115.15 118.34 3i5k h HIS 254 Ca 0.19 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3i5k h HIS 254 Cb 0.47 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 3i5k h HIS 254 CO 0.03 0.55 0.32 0.77 -1.30 0.00 0.00 177.93 178.30 3i5k h SER 255 N 0.37 0.56 -0.68 3.26 0.02 -1.15 -1.24 113.55 114.69 3i5k h SER 255 Ca 0.10 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3i5k h SER 255 Cb 0.27 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3i5k h SER 255 CO -0.00 0.41 0.25 -0.07 -1.14 0.00 0.00 176.83 176.28 3i5k h LEU 256 N 0.66 0.97 0.26 5.07 3.38 -0.85 0.14 115.31 124.93 3i5k h LEU 256 Ca 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i5k h LEU 256 Cb -0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.43 3i5k h LEU 256 CO -0.04 0.89 -0.12 0.74 0.09 0.00 0.00 178.44 179.99 3i5k h THR 257 N 1.02 0.76 0.00 0.22 2.02 -0.86 0.31 112.91 116.38 3i5k h THR 257 Ca 0.23 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 67.20 3i5k h THR 257 Cb 0.24 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3i5k h THR 257 CO -0.01 0.01 -0.72 -0.33 0.37 0.00 0.00 175.52 174.84 3i5k h GLU 258 N -0.38 0.00 0.00 6.66 4.39 -0.98 -0.53 114.58 123.74 3i5k h GLU 258 Ca -0.04 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.37 3i5k h GLU 258 Cb 0.29 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 3i5k h GLU 258 CO 0.06 0.72 -2.01 0.54 -1.16 0.00 0.00 179.01 177.15 3i5k n ARG 259 N -3.48 0.66 0.05 2.33 1.74 0.46 -4.71 116.66 113.70 3i5k n ARG 259 Ca -0.00 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3i5k n ARG 259 Cb 0.75 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 3i5k n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i5k n LEU 260 N -2.84 0.68 -0.22 0.55 7.94 -0.23 -0.52 117.00 122.35 3i5k n LEU 260 Ca -0.23 0.15 -0.07 0.00 -1.11 0.00 0.00 56.01 54.75 3i5k n LEU 260 Cb 1.05 -0.16 0.03 0.00 0.53 0.00 0.00 43.42 44.88 3i5k n LEU 260 CO 0.44 -0.60 1.00 1.88 -1.11 0.00 0.00 177.39 179.00 3i5k h TYR 261 N 0.00 0.92 0.00 1.96 0.05 -0.81 -3.03 116.97 116.06 3i5k h TYR 261 Ca 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 3i5k h TYR 261 Cb 0.21 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 3i5k h TYR 261 CO 0.00 0.73 -0.07 -0.39 -1.05 0.00 0.00 178.16 177.38 3i5k h VAL 262 N 0.85 0.20 0.00 -2.88 -1.51 -1.36 -3.41 116.25 108.15 3i5k h VAL 262 Ca 0.21 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3i5k h VAL 262 Cb 0.19 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3i5k h VAL 262 CO -0.02 0.07 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 3i5k n GLY 263 N -0.03 -1.70 0.00 5.19 0.00 -1.15 -3.97 105.19 103.52 3i5k n GLY 263 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3i5k n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 264 N -1.28 1.61 3.76 -0.02 0.00 -0.51 -4.21 105.19 104.54 3i5k n GLY 264 Ca 0.00 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 3i5k n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i5k s PRO 265 N -1.97 4.61 -0.12 1.61 0.04 -1.26 -0.65 135.00 137.26 3i5k s PRO 265 Ca 0.00 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 3i5k s PRO 265 Cb 0.00 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 3i5k s PRO 265 CO 0.00 0.17 -0.02 -1.64 0.04 0.00 0.00 177.00 175.54 3i5k s MET 266 N -1.46 3.31 0.02 4.56 -1.94 0.88 -1.84 119.30 122.83 3i5k s MET 266 Ca 0.45 -0.47 0.08 0.00 -1.71 0.00 0.00 55.69 54.03 3i5k s MET 266 Cb -0.33 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.64 3i5k s MET 266 CO 0.42 0.47 -0.22 -0.06 -0.01 0.00 0.00 175.02 175.63 3i5k s PHE 267 N -0.26 2.46 1.02 -0.03 0.08 0.13 0.10 117.98 121.48 3i5k s PHE 267 Ca 0.05 -0.33 -0.16 0.00 0.12 0.00 0.00 56.93 56.62 3i5k s PHE 267 Cb -0.12 -1.46 0.21 0.00 -0.57 0.00 0.00 43.02 41.07 3i5k s PHE 267 CO 0.02 0.16 1.20 0.54 -0.10 0.00 0.00 175.22 177.05 3i5k s ASN 268 N -1.18 2.52 0.57 1.36 2.20 -0.05 -1.59 114.94 118.77 3i5k s ASN 268 Ca 0.13 0.58 0.38 0.00 -0.94 0.00 0.00 52.86 53.01 3i5k s ASN 268 Cb -0.10 -0.84 1.94 0.00 -2.00 0.00 0.00 41.25 40.25 3i5k s ASN 268 CO 0.03 -3.13 2.15 0.77 -2.94 0.00 0.00 177.10 173.98 3i5k h SER 269 N -1.90 0.00 -0.05 3.54 4.64 -1.78 -0.72 113.55 117.27 3i5k h SER 269 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3i5k h SER 269 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3i5k h SER 269 CO 0.44 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.69 3i5k n LYS 270 N -2.93 1.67 -1.03 4.77 5.02 -1.26 -4.93 118.16 119.47 3i5k n LYS 270 Ca -0.02 -0.99 -0.01 0.00 -2.02 0.00 0.00 58.31 55.27 3i5k n LYS 270 Cb 0.13 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 3i5k n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i5k n GLY 271 N 1.16 0.50 3.77 0.72 0.00 -0.28 -5.04 105.19 106.03 3i5k n GLY 271 Ca 0.18 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3i5k n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i5k s GLN 272 N -1.12 4.68 0.03 1.61 -0.21 -1.26 -4.81 119.66 118.58 3i5k s GLN 272 Ca 0.00 1.36 -0.30 0.00 0.02 0.00 0.00 55.36 56.44 3i5k s GLN 272 Cb 0.00 -3.03 -0.08 0.00 1.00 0.00 0.00 33.01 30.90 3i5k s GLN 272 CO 0.00 0.40 1.85 0.99 -2.12 0.00 0.00 175.29 176.41 3i5k s THR 273 N -1.40 3.08 -0.22 -0.19 2.01 -1.26 -0.87 115.64 116.79 3i5k s THR 273 Ca 0.45 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.69 3i5k s THR 273 Cb -0.22 -3.15 -0.14 0.00 0.01 0.00 0.00 72.50 69.00 3i5k s THR 273 CO 0.27 -0.02 -0.20 0.00 -0.69 0.00 0.00 174.62 173.98 3i5k n GLY 275 N 2.37 -0.62 2.93 0.00 0.00 -1.03 -0.83 105.19 108.02 3i5k n GLY 275 Ca -0.40 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 3i5k n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i5k s TYR 276 N -3.00 0.53 -0.14 1.61 5.04 0.26 -0.08 117.35 121.57 3i5k s TYR 276 Ca 0.00 -0.10 -0.06 0.00 -2.44 0.00 0.00 57.07 54.47 3i5k s TYR 276 Cb 0.00 -0.40 -0.04 0.00 0.35 0.00 0.00 41.96 41.87 3i5k s TYR 276 CO 0.00 -0.06 0.06 0.50 -1.34 0.00 0.00 175.55 174.72 3i5k s ARG 277 N 0.21 3.54 -0.17 4.97 3.52 0.18 -1.77 118.95 129.43 3i5k s ARG 277 Ca -0.02 -0.31 0.17 0.00 -0.13 0.00 0.00 55.73 55.44 3i5k s ARG 277 Cb -0.06 -3.08 0.44 0.00 -1.56 0.00 0.00 34.95 30.69 3i5k s ARG 277 CO -0.00 0.53 1.18 0.54 -0.81 0.00 0.00 175.30 176.74 3i5k n ARG 278 N 2.72 1.48 -2.42 5.12 1.74 -0.24 -1.43 116.66 123.63 3i5k n ARG 278 Ca -0.18 -3.09 -0.05 0.00 -0.77 0.00 0.00 57.85 53.76 3i5k n ARG 278 Cb 0.53 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.46 30.72 3i5k n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i5k n ARG 280 N -0.16 2.47 -2.77 0.00 3.00 -0.93 -4.49 116.66 113.77 3i5k n ARG 280 Ca 0.01 0.88 -0.42 0.00 -0.00 0.00 0.00 57.85 58.33 3i5k n ARG 280 Cb 0.16 -2.64 -0.03 0.00 0.00 0.00 0.00 32.46 29.95 3i5k n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i5k s ALA 281 N 0.24 3.32 -0.87 5.13 0.00 -1.26 -4.78 121.76 123.54 3i5k s ALA 281 Ca 0.68 0.35 0.20 0.00 0.00 0.00 0.00 51.96 53.20 3i5k s ALA 281 Cb -0.56 -3.31 0.83 0.00 0.00 0.00 0.00 23.12 20.08 3i5k s ALA 281 CO 0.45 -0.41 1.63 -1.13 0.00 0.00 0.00 175.76 176.30 3i5k n SER 282 N 4.49 0.21 -2.41 0.00 3.41 -1.25 -3.99 113.62 114.08 3i5k n SER 282 Ca 0.06 0.54 -0.17 0.00 -0.26 0.00 0.00 58.87 59.04 3i5k n SER 282 Cb 0.50 -0.59 0.02 0.00 -0.26 0.00 0.00 64.21 63.88 3i5k n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i5k n GLY 283 N 0.38 4.53 3.55 5.00 0.00 -0.24 -4.80 105.19 113.60 3i5k n GLY 283 Ca 0.04 -2.11 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 3i5k n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i5k s VAL 284 N -4.41 2.14 0.43 1.61 -7.23 -1.26 -4.45 120.40 107.23 3i5k s VAL 284 Ca 0.41 -2.15 0.09 0.00 -1.81 0.00 0.00 61.98 58.52 3i5k s VAL 284 Cb 0.39 -2.72 0.25 0.00 0.56 0.00 0.00 36.38 34.86 3i5k s VAL 284 CO -0.03 -0.16 2.05 0.25 -0.31 0.00 0.00 175.10 176.90 3i5k h LEU 285 N 1.98 0.34 -0.94 1.32 5.85 -1.94 -2.71 115.31 119.21 3i5k h LEU 285 Ca -0.42 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3i5k h LEU 285 Cb 1.25 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3i5k h LEU 285 CO 0.73 0.29 -0.05 0.35 -0.34 0.00 0.00 178.44 179.42 3i5k n THR 286 N -4.45 0.00 -0.11 1.05 -2.24 -1.26 -4.35 114.28 102.91 3i5k n THR 286 Ca 0.01 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 3i5k n THR 286 Cb 0.10 0.54 0.01 0.00 -2.10 0.00 0.00 70.33 68.88 3i5k n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i5k h THR 287 N 2.29 0.54 0.04 4.28 2.02 -1.74 0.66 112.91 121.00 3i5k h THR 287 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3i5k h THR 287 Cb 0.53 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3i5k h THR 287 CO 0.00 0.00 -0.02 -1.28 0.37 0.00 0.00 175.52 174.59 3i5k h SER 288 N -0.05 -0.05 -0.51 4.18 0.87 -1.82 -0.69 113.55 115.48 3i5k h SER 288 Ca 0.19 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3i5k h SER 288 Cb 0.34 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3i5k h SER 288 CO -0.42 0.62 0.33 -0.03 -0.53 0.00 0.00 176.83 176.80 3i5k h MET 289 N -0.77 0.68 -0.18 2.24 -1.53 -1.75 -0.26 114.93 113.36 3i5k h MET 289 Ca -0.01 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.21 3i5k h MET 289 Cb 0.65 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.54 3i5k h MET 289 CO 0.01 0.46 0.10 0.78 0.14 0.00 0.00 176.91 178.40 3i5k h GLY 290 N 0.69 0.25 0.99 1.39 0.00 0.28 -1.27 103.07 105.40 3i5k h GLY 290 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 3i5k h GLY 290 CO -0.04 0.07 0.31 3.43 0.00 0.00 0.00 176.54 180.31 3i5k h ASN 291 N 0.21 0.63 0.18 0.19 2.35 -0.93 -0.51 115.58 117.70 3i5k h ASN 291 Ca 0.07 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3i5k h ASN 291 Cb 0.00 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 3i5k h ASN 291 CO -0.04 0.51 -0.10 0.74 -1.65 0.00 0.00 177.43 176.89 3i5k h THR 292 N 0.70 0.79 -0.26 2.81 2.02 -0.90 0.15 112.91 118.21 3i5k h THR 292 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 3i5k h THR 292 Cb 0.00 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3i5k h THR 292 CO -0.03 0.00 0.16 0.40 0.37 0.00 0.00 175.52 176.41 3i5k h ILE 293 N -0.27 1.10 -0.22 3.11 2.04 -1.16 -0.70 117.51 121.41 3i5k h ILE 293 Ca -0.02 -0.25 -0.16 0.00 1.00 0.00 0.00 64.86 65.42 3i5k h ILE 293 Cb 0.21 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3i5k h ILE 293 CO 0.03 0.10 -0.53 0.74 0.00 0.00 0.00 178.15 178.49 3i5k h THR 294 N 0.33 1.31 -0.72 -0.27 2.02 -0.99 -1.31 112.91 113.28 3i5k h THR 294 Ca 0.09 -1.75 -0.02 0.00 0.77 0.00 0.00 66.41 65.50 3i5k h THR 294 Cb 0.03 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 3i5k h THR 294 CO -0.02 0.55 0.35 0.00 0.37 0.00 0.00 175.52 176.78 3i5k h TYR 296 N 1.00 0.33 -0.24 0.00 3.20 -0.87 0.19 116.97 120.58 3i5k h TYR 296 Ca 0.25 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3i5k h TYR 296 Cb 0.11 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3i5k h TYR 296 CO 0.01 0.29 0.07 0.28 -1.64 0.00 0.00 178.16 177.17 3i5k h VAL 297 N 0.28 1.20 -0.29 1.81 2.07 -1.15 -0.73 116.25 119.43 3i5k h VAL 297 Ca 0.09 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3i5k h VAL 297 Cb 0.06 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3i5k h VAL 297 CO -0.01 0.20 0.08 0.11 0.02 0.00 0.00 177.57 177.97 3i5k h LYS 298 N 0.22 0.46 -0.36 1.57 1.57 -1.30 -2.41 116.57 116.32 3i5k h LYS 298 Ca 0.08 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3i5k h LYS 298 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3i5k h LYS 298 CO -0.00 0.52 0.14 0.00 -0.57 0.00 0.00 179.45 179.54 3i5k h ALA 299 N 0.92 0.47 -0.49 3.86 0.00 -0.86 0.29 119.26 123.45 3i5k h ALA 299 Ca 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3i5k h ALA 299 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i5k h ALA 299 CO -0.00 0.09 0.06 1.25 0.00 0.00 0.00 179.25 180.65 3i5k h LEU 300 N 0.44 0.80 -0.69 0.00 5.85 -1.15 -0.13 115.31 120.43 3i5k h LEU 300 Ca 0.12 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 3i5k h LEU 300 Cb 0.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3i5k h LEU 300 CO -0.01 0.87 0.33 0.00 -0.34 0.00 0.00 178.44 179.30 3i5k h ALA 301 N 0.96 0.89 -0.46 1.25 0.00 -1.30 -2.51 119.26 118.10 3i5k h ALA 301 Ca 0.15 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3i5k h ALA 301 Cb 0.42 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3i5k h ALA 301 CO 0.01 0.45 0.05 0.00 0.00 0.00 0.00 179.25 179.77 3i5k h ALA 302 N 1.16 1.24 -0.50 0.00 0.00 -0.57 -0.65 119.26 119.94 3i5k h ALA 302 Ca 0.24 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3i5k h ALA 302 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3i5k h ALA 302 CO -0.03 0.52 0.29 0.00 0.00 0.00 0.00 179.25 180.03 3i5k h LYS 304 N 0.58 0.98 -0.38 0.00 1.57 -1.01 -0.29 116.57 118.03 3i5k h LYS 304 Ca 0.20 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3i5k h LYS 304 Cb 0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3i5k h LYS 304 CO -0.09 0.94 0.13 0.00 -0.57 0.00 0.00 179.45 179.86 3i5k h ALA 305 N 1.00 1.52 0.00 3.86 0.00 -0.86 -3.10 119.26 121.67 3i5k h ALA 305 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i5k h ALA 305 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i5k h ALA 305 CO 0.02 0.37 -0.63 0.00 0.00 0.00 0.00 179.25 179.01 3i5k h ALA 306 N 1.61 0.62 -2.28 0.00 0.00 -0.65 -3.48 119.26 115.07 3i5k h ALA 306 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3i5k h ALA 306 Cb 0.14 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.96 3i5k h ALA 306 CO -0.01 0.00 -0.26 0.41 0.00 0.00 0.00 179.25 179.39 3i5k n GLY 307 N 1.27 0.20 3.70 0.00 0.00 -0.26 -4.75 105.19 105.36 3i5k n GLY 307 Ca 0.03 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3i5k n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5k s ILE 308 N -2.84 3.64 -0.29 -0.61 -1.09 -0.38 -4.99 121.20 114.64 3i5k s ILE 308 Ca 0.14 1.09 -0.15 0.00 -2.23 0.00 0.00 60.65 59.50 3i5k s ILE 308 Cb -0.06 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 3i5k s ILE 308 CO 0.18 0.03 0.37 -0.69 -1.23 0.00 0.00 174.94 173.59 3i5k s VAL 309 N 1.92 5.17 -0.93 2.92 1.01 -1.26 -4.53 120.40 124.70 3i5k s VAL 309 Ca 0.63 0.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 3i5k s VAL 309 Cb -0.33 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3i5k s VAL 309 CO 0.28 0.10 0.80 0.00 0.00 0.00 0.00 175.10 176.28 3i5k n ALA 310 N 5.35 -2.09 -2.27 5.51 0.00 -1.26 -0.91 120.51 124.83 3i5k n ALA 310 Ca -0.09 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3i5k n ALA 310 Cb 0.50 -4.36 -0.03 0.00 0.00 0.00 0.00 19.45 15.56 3i5k n ALA 310 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i5k s PRO 311 N -4.42 4.46 -0.21 0.00 0.04 -1.26 -4.35 135.00 129.26 3i5k s PRO 311 Ca 0.30 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.15 3i5k s PRO 311 Cb -0.04 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.22 3i5k s PRO 311 CO 0.63 -0.18 -0.14 0.99 0.04 0.00 0.00 177.00 178.35 3i5k s THR 312 N 0.61 2.41 0.03 1.26 2.01 0.16 -4.97 115.64 117.15 3i5k s THR 312 Ca 0.56 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.56 3i5k s THR 312 Cb -0.31 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3i5k s THR 312 CO 0.32 0.35 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.56 3i5k s MET 313 N 1.29 2.67 -0.24 4.92 -1.94 -1.26 -0.21 119.30 124.52 3i5k s MET 313 Ca 0.02 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.31 3i5k s MET 313 Cb -0.15 -2.60 0.05 0.00 2.01 0.00 0.00 34.83 34.14 3i5k s MET 313 CO -0.09 0.59 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.22 3i5k s LEU 314 N -1.84 3.10 -0.19 -0.03 2.96 -0.08 -4.30 118.68 118.30 3i5k s LEU 314 Ca 0.22 -1.23 -0.02 0.00 -0.22 0.00 0.00 54.13 52.88 3i5k s LEU 314 Cb -0.12 -1.50 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 3i5k s LEU 314 CO 0.13 -0.16 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.20 3i5k s VAL 315 N 1.17 2.88 -0.40 1.68 1.01 0.95 -1.68 120.40 126.01 3i5k s VAL 315 Ca -0.06 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3i5k s VAL 315 Cb -0.19 -2.27 0.13 0.00 0.00 0.00 0.00 36.38 34.05 3i5k s VAL 315 CO -0.07 0.48 0.20 0.00 0.00 0.00 0.00 175.10 175.71 3i5k n GLY 317 N 3.90 3.44 0.19 0.00 0.00 -1.26 -1.54 105.19 109.92 3i5k n GLY 317 Ca 0.06 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3i5k n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i5k n ASP 318 N 6.52 0.58 -4.61 1.61 5.75 -1.26 -3.49 116.55 121.65 3i5k n ASP 318 Ca 0.00 -1.19 -0.42 0.00 -0.01 0.00 0.00 54.79 53.17 3i5k n ASP 318 Cb 0.00 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 3i5k n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i5k s ASP 319 N -2.00 6.64 -0.10 -1.12 2.15 -0.59 -4.69 116.67 116.97 3i5k s ASP 319 Ca 0.44 0.62 0.02 0.00 0.43 0.00 0.00 52.55 54.07 3i5k s ASP 319 Cb 0.22 -2.40 0.01 0.00 -0.30 0.00 0.00 42.92 40.45 3i5k s ASP 319 CO 0.36 -0.61 -0.16 -0.22 -0.17 0.00 0.00 175.17 174.37 3i5k s LEU 320 N 2.95 1.75 -0.10 -1.34 2.96 -1.26 -1.09 118.68 122.54 3i5k s LEU 320 Ca 0.32 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 3i5k s LEU 320 Cb -0.14 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 3i5k s LEU 320 CO 0.13 0.04 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.33 3i5k s VAL 321 N 0.85 2.72 -0.20 1.68 1.01 -0.68 -1.67 120.40 124.11 3i5k s VAL 321 Ca -0.10 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3i5k s VAL 321 Cb -0.15 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.16 3i5k s VAL 321 CO 0.01 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.79 3i5k s VAL 322 N 0.13 2.02 -0.16 2.92 1.01 -0.27 -0.90 120.40 125.15 3i5k s VAL 322 Ca -0.09 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 3i5k s VAL 322 Cb -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3i5k s VAL 322 CO 0.05 0.39 -0.04 -0.63 0.00 0.00 0.00 175.10 174.88 3i5k s ILE 323 N 1.27 3.85 0.32 2.22 1.01 0.70 -1.21 121.20 129.36 3i5k s ILE 323 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3i5k s ILE 323 Cb -0.15 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.63 3i5k s ILE 323 CO -0.11 0.48 0.42 -1.54 0.00 0.00 0.00 174.94 174.19 3i5k n SER 324 N 3.68 -1.14 -4.68 3.58 3.41 0.33 0.40 113.62 119.20 3i5k n SER 324 Ca -0.17 -2.83 -0.43 0.00 -0.26 0.00 0.00 58.87 55.18 3i5k n SER 324 Cb 0.52 2.20 -0.02 0.00 -0.26 0.00 0.00 64.21 66.65 3i5k n SER 324 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3i5k s GLU 325 N -2.85 4.38 0.24 4.33 0.41 -0.09 -1.06 118.70 124.06 3i5k s GLU 325 Ca 0.29 1.48 -0.30 0.00 -0.41 0.00 0.00 54.97 56.03 3i5k s GLU 325 Cb -0.00 -3.57 -0.10 0.00 -1.78 0.00 0.00 34.13 28.68 3i5k s GLU 325 CO 0.21 -0.40 1.42 0.45 -0.49 0.00 0.00 175.26 176.45 3i5k s SER 326 N 1.25 6.68 -0.04 -0.19 0.15 0.65 -4.46 113.70 117.74 3i5k s SER 326 Ca 0.50 2.64 0.20 0.00 0.70 0.00 0.00 55.95 59.99 3i5k s SER 326 Cb -0.20 -2.62 0.62 0.00 -1.71 0.00 0.00 66.02 62.11 3i5k s SER 326 CO 0.18 -0.68 1.53 0.00 1.20 0.00 0.00 173.24 175.46 3i5k n GLN 327 N 2.34 3.07 0.00 5.44 1.13 -1.26 -4.92 117.38 123.17 3i5k n GLN 327 Ca 0.07 -2.66 0.00 0.00 -1.94 0.00 0.00 57.00 52.47 3i5k n GLN 327 Cb 0.40 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3i5k n GLN 327 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5k n GLY 328 N 1.28 2.65 0.07 1.08 0.00 -1.26 -4.61 105.19 104.40 3i5k n GLY 328 Ca 0.23 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 3i5k n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i5k h THR 329 N 0.00 1.02 0.03 2.61 2.02 -1.99 0.40 112.91 116.99 3i5k h THR 329 Ca 0.00 -0.21 -0.21 0.00 0.77 0.00 0.00 66.41 66.76 3i5k h THR 329 Cb 0.00 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3i5k h THR 329 CO 0.00 0.05 -0.99 -0.33 0.37 0.00 0.00 175.52 174.63 3i5k h GLU 330 N -0.16 0.10 -0.44 6.66 5.08 -2.00 -2.68 114.58 121.14 3i5k h GLU 330 Ca -0.01 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3i5k h GLU 330 Cb 0.14 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3i5k h GLU 330 CO 0.01 1.00 0.15 0.93 -1.00 0.00 0.00 179.01 180.11 3i5k h GLU 331 N 0.04 0.67 -0.41 2.33 3.07 -1.80 -1.88 114.58 116.61 3i5k h GLU 331 Ca -0.04 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 3i5k h GLU 331 Cb 1.69 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 29.48 3i5k h GLU 331 CO 0.14 0.64 0.21 -0.44 -1.40 0.00 0.00 179.01 178.16 3i5k h ASP 332 N 0.57 0.52 -0.52 1.42 3.32 -0.88 0.20 116.42 121.05 3i5k h ASP 332 Ca 0.14 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.17 3i5k h ASP 332 Cb 0.23 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.58 3i5k h ASP 332 CO -0.01 0.47 0.12 -0.33 -1.72 0.00 0.00 179.24 177.78 3i5k h GLU 333 N 0.52 0.26 -0.12 3.56 4.39 -1.40 -1.43 114.58 120.36 3i5k h GLU 333 Ca 0.14 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3i5k h GLU 333 Cb 0.08 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3i5k h GLU 333 CO -0.02 0.17 0.05 -0.09 -1.16 0.00 0.00 179.01 177.97 3i5k h ARG 334 N 0.27 0.18 -0.93 2.33 1.12 -0.90 -2.56 114.38 113.90 3i5k h ARG 334 Ca 0.26 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 3i5k h ARG 334 Cb 0.34 -0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.22 3i5k h ARG 334 CO -0.32 0.26 0.58 -0.91 -3.11 0.00 0.00 179.97 176.48 3i5k h ASN 335 N 0.06 1.09 -0.14 -3.80 2.35 -0.30 -1.38 115.58 113.46 3i5k h ASN 335 Ca 0.04 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3i5k h ASN 335 Cb 0.15 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3i5k h ASN 335 CO -0.00 0.82 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.28 3i5k h LEU 336 N 1.27 0.60 -0.76 1.61 4.07 -1.22 0.85 115.31 121.73 3i5k h LEU 336 Ca 0.34 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 3i5k h LEU 336 Cb -0.09 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 3i5k h LEU 336 CO -0.07 0.83 0.25 0.03 -1.08 0.00 0.00 178.44 178.41 3i5k h ARG 337 N 0.52 1.17 -0.56 1.13 3.08 -1.00 -0.73 114.38 117.98 3i5k h ARG 337 Ca 0.07 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 3i5k h ARG 337 Cb 0.70 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3i5k h ARG 337 CO 0.05 0.98 0.04 0.00 -1.07 0.00 0.00 179.97 179.98 3i5k h ALA 338 N 1.13 0.75 -0.35 0.04 0.00 -0.86 -1.04 119.26 118.94 3i5k h ALA 338 Ca 0.25 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i5k h ALA 338 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3i5k h ALA 338 CO -0.01 0.54 0.18 0.35 0.00 0.00 0.00 179.25 180.31 3i5k h PHE 339 N 0.85 0.34 -0.70 0.00 3.57 -0.67 -1.07 116.94 119.25 3i5k h PHE 339 Ca 0.16 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3i5k h PHE 339 Cb 0.48 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3i5k h PHE 339 CO 0.04 0.19 0.43 1.15 -2.23 0.00 0.00 178.31 177.89 3i5k h THR 340 N 0.38 1.20 -0.64 4.41 2.02 -0.91 0.64 112.91 120.01 3i5k h THR 340 Ca 0.14 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 3i5k h THR 340 Cb 0.03 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 3i5k h THR 340 CO -0.09 0.20 0.30 -0.33 0.37 0.00 0.00 175.52 175.98 3i5k h GLU 341 N 0.96 0.93 -0.13 6.66 5.08 -0.90 0.24 114.58 127.42 3i5k h GLU 341 Ca 0.25 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3i5k h GLU 341 Cb -0.04 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 3i5k h GLU 341 CO -0.05 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 3i5k h ALA 342 N 1.13 0.18 -0.39 3.43 0.00 -0.85 -0.95 119.26 121.81 3i5k h ALA 342 Ca 0.22 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3i5k h ALA 342 Cb 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3i5k h ALA 342 CO -0.03 -0.12 -0.07 0.52 0.00 0.00 0.00 179.25 179.55 3i5k h MET 343 N -0.03 0.03 -0.31 0.00 2.86 -0.72 -0.68 114.93 116.08 3i5k h MET 343 Ca 0.04 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 3i5k h MET 343 Cb 0.37 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 3i5k h MET 343 CO 0.01 0.02 -0.08 1.15 1.06 0.00 0.00 176.91 179.06 3i5k h THR 344 N 0.03 0.67 -1.00 2.22 2.02 -0.38 -0.32 112.91 116.16 3i5k h THR 344 Ca 0.19 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.48 3i5k h THR 344 Cb 0.28 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 3i5k h THR 344 CO -0.38 0.00 0.63 0.03 0.37 0.00 0.00 175.52 176.17 3i5k h ARG 345 N -0.01 0.98 0.00 6.66 3.08 -0.49 0.11 114.38 124.71 3i5k h ARG 345 Ca 0.15 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i5k h ARG 345 Cb 0.24 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i5k h ARG 345 CO -0.33 0.65 0.00 0.66 -1.07 0.00 0.00 179.97 179.88 3i5k n TYR 346 N -4.61 0.00 -2.58 3.04 4.01 -0.32 -0.87 117.16 115.83 3i5k n TYR 346 Ca 0.18 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.84 3i5k n TYR 346 Cb 0.34 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.41 3i5k n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i5k n SER 347 N -0.72 -3.37 -2.94 7.72 2.88 0.38 -4.90 113.62 112.67 3i5k n SER 347 Ca 0.08 -0.36 -0.14 0.00 -1.33 0.00 0.00 58.87 57.13 3i5k n SER 347 Cb 0.04 -2.99 0.03 0.00 -0.75 0.00 0.00 64.21 60.53 3i5k n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i5k n ALA 348 N -2.53 0.43 -1.39 -1.46 0.00 -0.23 -4.55 120.51 110.78 3i5k n ALA 348 Ca -0.09 -2.33 -0.33 0.00 0.00 0.00 0.00 53.44 50.70 3i5k n ALA 348 Cb 0.58 -1.07 0.07 0.00 0.00 0.00 0.00 19.45 19.03 3i5k n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i5k s PRO 349 N -0.75 2.45 0.46 0.00 0.04 -1.26 -3.84 135.00 132.10 3i5k s PRO 349 Ca 0.31 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 3i5k s PRO 349 Cb 0.29 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.84 3i5k s PRO 349 CO -0.09 -1.54 0.95 -1.25 0.04 0.00 0.00 177.00 175.10 3i5k s PRO 350 N -4.19 4.06 0.00 0.56 0.04 -1.26 -1.14 135.00 133.07 3i5k s PRO 350 Ca 0.68 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3i5k s PRO 350 Cb -0.22 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3i5k s PRO 350 CO 0.45 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.77 3i5k n GLY 351 N -1.10 1.29 3.72 0.56 0.00 0.17 -4.26 105.19 105.58 3i5k n GLY 351 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3i5k n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i5k s ASP 352 N -1.00 7.05 0.42 1.61 1.01 -1.26 -4.97 116.67 119.53 3i5k s ASP 352 Ca 0.00 1.26 -0.26 0.00 0.71 0.00 0.00 52.55 54.26 3i5k s ASP 352 Cb 0.00 -2.43 -0.10 0.00 1.01 0.00 0.00 42.92 41.41 3i5k s ASP 352 CO 0.00 -0.08 1.37 -2.65 0.21 0.00 0.00 175.17 174.02 3i5k n PRO 353 N 3.53 2.21 -2.12 8.23 -0.02 -1.26 -4.33 135.00 141.24 3i5k n PRO 353 Ca -0.01 0.78 -0.37 0.00 -2.02 0.00 0.00 63.50 61.87 3i5k n PRO 353 Cb 0.51 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.47 3i5k n PRO 353 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i5k s PRO 354 N -2.25 3.54 -0.05 0.52 0.04 -1.26 -5.00 135.00 130.54 3i5k s PRO 354 Ca 0.59 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.57 3i5k s PRO 354 Cb -0.49 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 3i5k s PRO 354 CO 0.59 -0.77 -0.19 1.03 0.04 0.00 0.00 177.00 177.71 3i5k s ARG 355 N -2.80 1.96 0.15 4.56 0.52 -1.26 -4.97 118.95 117.10 3i5k s ARG 355 Ca 0.67 -0.66 -0.31 0.00 -0.52 0.00 0.00 55.73 54.90 3i5k s ARG 355 Cb -0.32 -1.68 -0.09 0.00 0.52 0.00 0.00 34.95 33.39 3i5k s ARG 355 CO 0.38 0.26 1.45 -2.14 0.02 0.00 0.00 175.30 175.26 3i5k s PRO 356 N 0.03 4.29 -0.05 3.54 0.02 -1.26 -4.54 135.00 137.03 3i5k s PRO 356 Ca -0.05 2.19 0.06 0.00 0.02 0.00 0.00 61.00 63.23 3i5k s PRO 356 Cb -0.12 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.19 3i5k s PRO 356 CO 0.03 -0.47 -0.25 -1.21 -0.33 0.00 0.00 177.00 174.77 3i5k s GLU 357 N 0.84 2.46 -0.01 5.54 2.02 0.61 -4.97 118.70 125.19 3i5k s GLU 357 Ca 0.65 -0.90 0.04 0.00 0.02 0.00 0.00 54.97 54.78 3i5k s GLU 357 Cb -0.40 -2.15 0.10 0.00 0.10 0.00 0.00 34.13 31.78 3i5k s GLU 357 CO 0.33 0.43 1.07 0.66 0.02 0.00 0.00 175.26 177.77 3i5k n TYR 358 N 2.82 0.12 -4.51 1.61 4.01 -1.26 -0.99 117.16 118.97 3i5k n TYR 358 Ca -0.17 -0.53 -0.29 0.00 -0.16 0.00 0.00 57.90 56.74 3i5k n TYR 358 Cb 0.52 -0.06 -0.17 0.00 -0.31 0.00 0.00 39.34 39.33 3i5k n TYR 358 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i5k s ASP 359 N -1.12 2.56 0.26 7.72 1.01 -1.26 -5.00 116.67 120.84 3i5k s ASP 359 Ca 0.08 -0.46 -0.03 0.00 0.71 0.00 0.00 52.55 52.85 3i5k s ASP 359 Cb 0.05 -1.16 0.42 0.00 1.01 0.00 0.00 42.92 43.24 3i5k s ASP 359 CO 0.04 0.03 1.85 0.25 0.21 0.00 0.00 175.17 177.55 3i5k h LEU 360 N 7.38 0.91 -0.35 1.23 5.85 -1.97 -1.81 115.31 126.56 3i5k h LEU 360 Ca -0.31 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3i5k h LEU 360 Cb 1.18 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3i5k h LEU 360 CO 0.50 0.55 0.00 -1.84 -0.34 0.00 0.00 178.44 177.32 3i5k n GLU 361 N -4.59 0.06 0.02 1.25 0.28 -1.26 -1.27 120.64 115.13 3i5k n GLU 361 Ca 0.15 0.41 0.12 0.00 -0.16 0.00 0.00 57.16 57.67 3i5k n GLU 361 Cb 0.23 -1.64 0.16 0.00 1.43 0.00 0.00 31.44 31.62 3i5k n GLU 361 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3i5k n LEU 362 N -1.76 0.60 -4.65 -1.84 4.77 -0.68 -4.62 117.00 108.82 3i5k n LEU 362 Ca 0.02 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 3i5k n LEU 362 Cb 0.12 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3i5k n LEU 362 CO 0.11 0.06 1.22 -0.63 -1.33 0.00 0.00 177.39 176.82 3i5k s ILE 363 N -3.09 3.97 -0.19 -0.08 -1.09 -0.39 -5.00 121.20 115.32 3i5k s ILE 363 Ca 0.08 1.14 -0.02 0.00 -2.23 0.00 0.00 60.65 59.62 3i5k s ILE 363 Cb 0.16 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3i5k s ILE 363 CO 0.74 -0.20 -0.09 0.42 -1.23 0.00 0.00 174.94 174.58 3i5k s THR 364 N 4.13 3.14 -0.26 2.92 -4.23 -1.26 -4.35 115.64 115.72 3i5k s THR 364 Ca 0.63 -0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 60.50 3i5k s THR 364 Cb -0.24 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3i5k s THR 364 CO 0.23 0.47 0.03 -0.55 -0.54 0.00 0.00 174.62 174.25 3i5k s SER 365 N 1.13 4.79 -1.41 3.99 0.15 0.14 -4.62 113.70 117.87 3i5k s SER 365 Ca 0.01 -0.58 -0.03 0.00 0.70 0.00 0.00 55.95 56.04 3i5k s SER 365 Cb -0.14 -1.82 0.02 0.00 -1.71 0.00 0.00 66.02 62.37 3i5k s SER 365 CO -0.02 -0.12 0.62 0.00 1.20 0.00 0.00 173.24 174.93 3i5k n SER 367 N -2.96 -1.10 -4.76 0.00 7.64 -1.26 -4.99 113.62 106.19 3i5k n SER 367 Ca -0.23 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.35 3i5k n SER 367 Cb 0.65 -1.15 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 3i5k n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3i5k s SER 368 N -2.45 5.44 0.05 6.43 0.01 -0.06 -4.48 113.70 118.65 3i5k s SER 368 Ca 0.00 -0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.20 3i5k s SER 368 Cb 0.00 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 3i5k s SER 368 CO 0.00 0.16 -0.03 0.54 0.41 0.00 0.00 173.24 174.32 3i5k s ASN 369 N -2.45 0.50 0.09 2.44 4.22 -0.14 -0.68 114.94 118.92 3i5k s ASN 369 Ca 0.29 -1.00 -0.27 0.00 -2.14 0.00 0.00 52.86 49.73 3i5k s ASN 369 Cb -0.12 0.20 -0.06 0.00 1.28 0.00 0.00 41.25 42.55 3i5k s ASN 369 CO 0.22 -0.60 0.86 -0.69 -2.04 0.00 0.00 177.10 174.85 3i5k s VAL 370 N -3.91 4.59 0.33 3.54 1.01 -1.26 -1.40 120.40 123.30 3i5k s VAL 370 Ca 0.07 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.93 3i5k s VAL 370 Cb 0.08 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3i5k s VAL 370 CO -0.10 0.36 0.13 -0.55 0.00 0.00 0.00 175.10 174.94 3i5k s SER 371 N -0.12 1.99 0.01 3.32 0.15 -0.54 -4.45 113.70 114.06 3i5k s SER 371 Ca 0.42 -1.55 0.03 0.00 0.70 0.00 0.00 55.95 55.56 3i5k s SER 371 Cb -0.22 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 3i5k s SER 371 CO 0.26 -0.84 -0.10 0.54 1.20 0.00 0.00 173.24 174.31 3i5k s VAL 372 N -3.46 0.74 0.10 4.45 0.11 -1.26 -1.76 120.40 119.33 3i5k s VAL 372 Ca 0.33 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 3i5k s VAL 372 Cb 0.05 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 3i5k s VAL 372 CO 0.16 0.06 0.10 0.00 -3.33 0.00 0.00 175.10 172.08 3i5k n ALA 373 N 2.43 0.17 -2.60 1.54 0.00 -0.38 -3.46 120.51 118.20 3i5k n ALA 373 Ca -0.16 -0.58 -0.34 0.00 0.00 0.00 0.00 53.44 52.36 3i5k n ALA 373 Cb 0.56 0.47 -0.11 0.00 0.00 0.00 0.00 19.45 20.37 3i5k n ALA 373 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i5k s LEU 374 N 0.00 3.25 0.00 0.00 1.43 0.11 -0.47 118.68 122.99 3i5k s LEU 374 Ca 0.12 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3i5k s LEU 374 Cb 0.00 -1.74 0.11 0.00 0.03 0.00 0.00 46.19 44.59 3i5k s LEU 374 CO 0.08 0.35 0.73 0.61 0.23 0.00 0.00 176.35 178.36 3i5k n GLY 375 N 2.08 0.46 0.27 -3.19 0.00 0.61 -0.95 105.19 104.47 3i5k n GLY 375 Ca -0.18 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 43.98 3i5k n GLY 375 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i5k h PRO 376 N 0.00 0.00 -0.56 1.61 0.11 -1.87 -2.39 132.00 128.89 3i5k h PRO 376 Ca -0.24 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.61 3i5k h PRO 376 Cb 0.86 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.82 3i5k h PRO 376 CO 0.25 0.01 0.17 0.54 -0.21 0.00 0.00 178.00 178.76 3i5k n ARG 377 N -4.25 2.25 -0.98 1.05 1.74 -1.26 -4.93 116.66 110.28 3i5k n ARG 377 Ca -0.03 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.95 3i5k n ARG 377 Cb 0.10 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 3i5k n ARG 377 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i5k n GLY 378 N -0.98 0.67 3.76 -0.13 0.00 -0.90 -5.03 105.19 102.58 3i5k n GLY 378 Ca 0.40 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 3i5k n GLY 378 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5k s ARG 379 N -0.15 4.66 0.19 1.61 0.52 -1.26 -4.79 118.95 119.72 3i5k s ARG 379 Ca 0.00 1.72 -0.31 0.00 -0.52 0.00 0.00 55.73 56.63 3i5k s ARG 379 Cb 0.00 -3.17 -0.10 0.00 0.52 0.00 0.00 34.95 32.21 3i5k s ARG 379 CO 0.00 0.25 1.47 1.03 0.02 0.00 0.00 175.30 178.07 3i5k s ARG 380 N -1.46 4.27 -0.11 3.54 0.52 -1.26 -0.28 118.95 124.16 3i5k s ARG 380 Ca 0.45 2.26 0.01 0.00 -0.52 0.00 0.00 55.73 57.92 3i5k s ARG 380 Cb -0.30 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.03 3i5k s ARG 380 CO 0.38 -0.48 -0.11 1.03 0.02 0.00 0.00 175.30 176.14 3i5k s ARG 381 N 0.48 1.88 0.15 3.54 1.81 0.38 -4.86 118.95 122.34 3i5k s ARG 381 Ca 0.64 -0.41 -0.08 0.00 -1.72 0.00 0.00 55.73 54.16 3i5k s ARG 381 Cb -0.41 -1.75 -0.06 0.00 -0.45 0.00 0.00 34.95 32.27 3i5k s ARG 381 CO 0.36 -0.18 0.44 0.71 -0.68 0.00 0.00 175.30 175.95 3i5k s TYR 382 N 1.37 3.49 0.14 -0.53 2.02 -1.26 -1.25 117.35 121.33 3i5k s TYR 382 Ca 0.00 0.72 -0.21 0.00 -0.37 0.00 0.00 57.07 57.21 3i5k s TYR 382 Cb -0.13 -2.13 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 3i5k s TYR 382 CO -0.06 0.40 0.55 1.52 -1.57 0.00 0.00 175.55 176.39 3i5k s TYR 383 N -1.64 -0.45 -0.03 2.71 -0.85 -0.72 -5.00 117.35 111.37 3i5k s TYR 383 Ca 0.41 0.24 -0.16 0.00 -0.52 0.00 0.00 57.07 57.03 3i5k s TYR 383 Cb -0.12 0.47 -0.05 0.00 0.38 0.00 0.00 41.96 42.64 3i5k s TYR 383 CO 0.22 -0.80 0.45 -1.17 -1.52 0.00 0.00 175.55 172.73 3i5k s LEU 384 N -2.70 4.41 0.00 -3.49 2.96 -1.26 -1.47 118.68 117.13 3i5k s LEU 384 Ca 0.01 0.94 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 3i5k s LEU 384 Cb -0.00 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 3i5k s LEU 384 CO -0.12 0.20 0.37 1.07 -1.32 0.00 0.00 176.35 176.55 3i5k n THR 385 N 2.47 0.00 -3.73 3.68 5.66 -0.49 -4.76 114.28 117.11 3i5k n THR 385 Ca -0.11 -2.19 -0.08 0.00 -3.05 0.00 0.00 64.05 58.62 3i5k n THR 385 Cb 0.52 1.18 -0.02 0.00 -1.55 0.00 0.00 70.33 70.46 3i5k n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i5k s ARG 386 N -3.14 1.55 0.20 1.09 1.70 -1.26 -0.97 118.95 118.12 3i5k s ARG 386 Ca 0.36 -0.80 -0.32 0.00 -0.47 0.00 0.00 55.73 54.50 3i5k s ARG 386 Cb 0.01 0.57 -0.11 0.00 -0.57 0.00 0.00 34.95 34.84 3i5k s ARG 386 CO 0.26 -0.71 1.69 0.34 -1.08 0.00 0.00 175.30 175.80 3i5k s ASP 387 N -2.87 6.43 0.00 -2.89 3.68 -1.26 -4.91 116.67 114.85 3i5k s ASP 387 Ca 0.09 2.81 0.28 0.00 2.13 0.00 0.00 52.55 57.86 3i5k s ASP 387 Cb -0.04 -2.60 1.42 0.00 -1.45 0.00 0.00 42.92 40.25 3i5k s ASP 387 CO 0.01 -0.94 1.96 -0.81 0.13 0.00 0.00 175.17 175.53 3i5k n PRO 388 N 3.97 0.42 0.04 4.34 -0.05 -1.26 -4.42 135.00 138.04 3i5k n PRO 388 Ca 0.15 0.02 -0.11 0.00 -0.05 0.00 0.00 63.50 63.51 3i5k n PRO 388 Cb 0.36 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.26 3i5k n PRO 388 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 3i5k h THR 389 N 0.00 0.31 0.03 0.52 2.02 -1.93 0.60 112.91 114.45 3i5k h THR 389 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3i5k h THR 389 Cb 0.25 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3i5k h THR 389 CO 0.00 0.00 -0.01 0.74 0.37 0.00 0.00 175.52 176.62 3i5k h THR 390 N -0.44 1.22 -0.97 3.16 2.02 -1.95 -1.11 112.91 114.85 3i5k h THR 390 Ca 0.07 -0.77 0.25 0.00 0.77 0.00 0.00 66.41 66.73 3i5k h THR 390 Cb 0.55 1.74 -0.13 0.00 -1.74 0.00 0.00 68.15 68.57 3i5k h THR 390 CO -0.29 0.20 0.52 -0.65 0.37 0.00 0.00 175.52 175.67 3i5k h PRO 391 N -0.37 0.47 -0.20 6.66 0.11 -1.79 -1.66 132.00 135.22 3i5k h PRO 391 Ca -0.00 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 3i5k h PRO 391 Cb 0.35 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3i5k h PRO 391 CO 0.01 0.31 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.77 3i5k h LEU 392 N 0.49 0.59 -0.27 2.35 3.38 -0.65 -1.69 115.31 119.50 3i5k h LEU 392 Ca 0.63 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3i5k h LEU 392 Cb 1.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3i5k h LEU 392 CO -0.51 0.98 0.06 0.00 0.09 0.00 0.00 178.44 179.06 3i5k h ALA 393 N 0.62 0.28 -0.60 1.53 0.00 -0.85 -1.46 119.26 118.79 3i5k h ALA 393 Ca 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3i5k h ALA 393 Cb 0.84 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3i5k h ALA 393 CO 0.06 -0.35 0.08 0.00 0.00 0.00 0.00 179.25 179.05 3i5k h ARG 394 N 0.17 1.00 -0.52 0.00 3.08 -1.36 -2.31 114.38 114.45 3i5k h ARG 394 Ca 0.12 -0.28 0.09 0.00 0.07 0.00 0.00 59.98 59.98 3i5k h ARG 394 Cb 0.11 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3i5k h ARG 394 CO -0.15 0.95 0.10 0.00 -1.07 0.00 0.00 179.97 179.80 3i5k h ALA 395 N 1.01 0.58 -0.24 0.04 0.00 -1.05 0.23 119.26 119.84 3i5k h ALA 395 Ca 0.18 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3i5k h ALA 395 Cb 0.44 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3i5k h ALA 395 CO 0.01 -0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.11 3i5k h ALA 396 N 1.41 0.30 -0.05 0.00 0.00 -1.09 -1.20 119.26 118.63 3i5k h ALA 396 Ca 0.26 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3i5k h ALA 396 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i5k h ALA 396 CO -0.34 -0.22 0.01 2.35 0.00 0.00 0.00 179.25 181.04 3i5k h TRP 397 N 0.31 0.02 0.00 0.00 2.91 -0.90 -2.55 115.95 115.74 3i5k h TRP 397 Ca 0.09 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.11 3i5k h TRP 397 Cb -0.03 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.62 3i5k h TRP 397 CO -0.06 0.01 0.00 0.39 -1.03 0.00 0.00 178.44 177.75 3i5k n GLU 398 N -5.09 0.13 0.01 2.65 1.02 0.77 -0.41 120.64 119.72 3i5k n GLU 398 Ca -0.06 0.37 -0.18 0.00 -0.02 0.00 0.00 57.16 57.27 3i5k n GLU 398 Cb 0.04 -1.74 -0.10 0.00 -0.02 0.00 0.00 31.44 29.62 3i5k n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3i5k h THR 399 N 0.00 1.35 0.03 2.62 2.02 -0.79 -3.40 112.91 114.74 3i5k h THR 399 Ca 0.00 -2.10 -0.34 0.00 0.77 0.00 0.00 66.41 64.74 3i5k h THR 399 Cb 0.31 2.41 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 3i5k h THR 399 CO 0.00 0.63 -2.06 0.55 0.37 0.00 0.00 175.52 175.02 3i5k n VAL 400 N -4.06 1.57 -3.85 3.16 3.14 -0.93 -4.77 118.33 112.60 3i5k n VAL 400 Ca -0.10 -0.75 -0.36 0.00 -2.96 0.00 0.00 64.34 60.17 3i5k n VAL 400 Cb 0.75 -1.08 -0.13 0.00 -1.06 0.00 0.00 33.84 32.32 3i5k n VAL 400 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3i5k s ARG 401 N -2.55 2.78 0.05 1.45 1.81 0.45 -5.09 118.95 117.84 3i5k s ARG 401 Ca -0.14 -1.05 -0.31 0.00 -1.72 0.00 0.00 55.73 52.52 3i5k s ARG 401 Cb 0.07 -3.24 -0.07 0.00 -0.45 0.00 0.00 34.95 31.26 3i5k s ARG 401 CO 0.78 -0.52 1.48 -1.58 -0.68 0.00 0.00 175.30 174.79 3i5k s HIS 402 N 1.38 2.80 -0.18 -0.53 5.65 -1.26 -4.09 115.29 119.06 3i5k s HIS 402 Ca -0.01 0.69 -0.11 0.00 0.25 0.00 0.00 55.06 55.88 3i5k s HIS 402 Cb -0.18 -3.77 -0.05 0.00 -1.18 0.00 0.00 32.58 27.40 3i5k s HIS 402 CO -0.00 -2.90 0.19 -1.12 -0.65 0.00 0.00 174.74 170.26 3i5k s SER 403 N 1.86 6.31 0.29 9.88 0.01 -1.26 -5.00 113.70 125.79 3i5k s SER 403 Ca 0.67 0.35 -0.02 0.00 1.31 0.00 0.00 55.95 58.26 3i5k s SER 403 Cb -0.35 -2.12 0.43 0.00 0.21 0.00 0.00 66.02 64.18 3i5k s SER 403 CO 0.29 0.17 1.95 1.55 0.41 0.00 0.00 173.24 177.60 3i5k h PRO 404 N 6.54 1.07 -4.85 12.44 0.13 -1.94 -3.35 132.00 142.04 3i5k h PRO 404 Ca -0.42 -0.08 -0.67 0.00 -0.87 0.00 0.00 66.00 63.95 3i5k h PRO 404 Cb 1.16 -0.23 -0.36 0.00 0.13 0.00 0.00 31.00 31.70 3i5k h PRO 404 CO 0.75 0.74 -0.78 0.42 -0.23 0.00 0.00 178.00 178.89 3i5k s ILE 405 N -5.83 2.35 0.74 -3.56 -1.09 -1.26 -4.28 121.20 108.26 3i5k s ILE 405 Ca -0.11 -1.59 -0.01 0.00 -2.23 0.00 0.00 60.65 56.70 3i5k s ILE 405 Cb 0.17 -2.38 0.13 0.00 -1.58 0.00 0.00 42.46 38.81 3i5k s ILE 405 CO 0.80 -0.05 1.01 0.54 -1.23 0.00 0.00 174.94 176.01 3i5k s ASN 406 N 1.13 4.27 -0.03 3.58 2.20 -0.27 -4.80 114.94 121.02 3i5k s ASN 406 Ca -0.08 -0.38 0.03 0.00 -0.94 0.00 0.00 52.86 51.49 3i5k s ASN 406 Cb -0.20 0.03 -0.04 0.00 -2.00 0.00 0.00 41.25 39.04 3i5k s ASN 406 CO -0.04 -1.92 0.01 -1.54 -2.94 0.00 0.00 177.10 170.67 3i5k n SER 407 N -2.88 4.19 -0.36 3.54 3.41 -1.26 -1.54 113.62 118.71 3i5k n SER 407 Ca 0.15 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.74 3i5k n SER 407 Cb 0.61 0.59 0.12 0.00 -0.26 0.00 0.00 64.21 65.26 3i5k n SER 407 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3i5k h TRP 408 N 0.00 1.25 -0.21 7.33 5.08 -1.91 -1.40 115.95 126.09 3i5k h TRP 408 Ca -0.09 0.02 -0.16 0.00 1.08 0.00 0.00 58.89 59.74 3i5k h TRP 408 Cb 1.18 -0.42 -0.01 0.00 -3.00 0.00 0.00 29.16 26.92 3i5k h TRP 408 CO 0.00 0.80 -0.54 1.25 -1.28 0.00 0.00 178.44 178.66 3i5k h LEU 409 N 1.33 0.68 -0.57 0.11 5.85 -1.95 -1.63 115.31 119.14 3i5k h LEU 409 Ca 0.36 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3i5k h LEU 409 Cb -0.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3i5k h LEU 409 CO -0.07 1.09 0.36 1.23 -0.34 0.00 0.00 178.44 180.71 3i5k h GLY 410 N 1.00 0.81 0.98 3.75 0.00 -1.68 -1.64 103.07 106.28 3i5k h GLY 410 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3i5k h GLY 410 CO 0.11 0.25 0.24 3.43 0.00 0.00 0.00 176.54 180.57 3i5k h ASN 411 N 0.72 0.71 -0.84 0.19 -0.26 -1.05 0.30 115.58 115.36 3i5k h ASN 411 Ca 0.22 -0.14 0.06 0.00 -0.56 0.00 0.00 56.30 55.87 3i5k h ASN 411 Cb -0.03 -0.18 -0.06 0.00 -1.06 0.00 0.00 38.32 36.99 3i5k h ASN 411 CO -0.07 0.66 0.52 0.40 -1.06 0.00 0.00 177.43 177.88 3i5k h ILE 412 N 0.72 1.05 -0.02 2.81 2.04 -1.15 0.32 117.51 123.29 3i5k h ILE 412 Ca 0.18 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3i5k h ILE 412 Cb 0.15 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3i5k h ILE 412 CO -0.02 0.18 -0.13 0.40 0.00 0.00 0.00 178.15 178.58 3i5k h ILE 413 N 0.96 1.52 -0.63 -0.67 2.04 -1.05 -1.71 117.51 117.97 3i5k h ILE 413 Ca 0.36 -1.71 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 3i5k h ILE 413 Cb 0.14 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 3i5k h ILE 413 CO -0.16 0.46 0.10 1.56 0.00 0.00 0.00 178.15 180.11 3i5k h GLN 414 N -0.52 1.03 -0.25 2.37 4.20 -0.89 -3.28 115.11 117.77 3i5k h GLN 414 Ca -0.01 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.34 3i5k h GLN 414 Cb 0.82 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 3i5k h GLN 414 CO 0.03 0.95 -0.09 0.66 -0.67 0.00 0.00 178.83 179.71 3i5k n TYR 415 N -4.22 0.82 -0.32 2.96 4.01 0.10 -4.81 117.16 115.69 3i5k n TYR 415 Ca 0.04 -1.33 0.16 0.00 -0.16 0.00 0.00 57.90 56.61 3i5k n TYR 415 Cb 0.28 -0.38 0.35 0.00 -0.31 0.00 0.00 39.34 39.28 3i5k n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i5k h ALA 416 N 1.09 1.61 0.00 -0.72 0.00 -1.37 -1.26 119.26 118.61 3i5k h ALA 416 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3i5k h ALA 416 Cb 1.47 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3i5k h ALA 416 CO 0.26 -0.32 0.00 -2.30 0.00 0.00 0.00 179.25 176.89 3i5k n PRO 417 N -4.98 0.08 -2.44 0.00 -0.02 -1.26 -4.44 135.00 121.93 3i5k n PRO 417 Ca 0.25 0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 3i5k n PRO 417 Cb 0.71 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 3i5k n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i5k s THR 418 N -3.11 4.32 0.26 3.45 -4.23 -0.48 -4.93 115.64 110.93 3i5k s THR 418 Ca 0.06 1.21 0.03 0.00 -1.18 0.00 0.00 61.69 61.82 3i5k s THR 418 Cb 0.10 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.33 3i5k s THR 418 CO 0.33 -0.54 1.64 -0.29 -0.54 0.00 0.00 174.62 175.22 3i5k h ILE 419 N 1.10 1.32 -0.33 2.99 2.10 -1.89 -2.48 117.51 120.32 3i5k h ILE 419 Ca -0.47 -1.60 -0.14 0.00 1.08 0.00 0.00 64.86 63.73 3i5k h ILE 419 Cb 1.19 1.68 -0.01 0.00 -1.09 0.00 0.00 36.82 38.59 3i5k h ILE 419 CO 0.60 0.49 -0.35 4.11 -1.08 0.00 0.00 178.15 181.92 3i5k h TRP 420 N 0.29 0.87 0.26 2.19 5.08 -1.93 -0.27 115.95 122.44 3i5k h TRP 420 Ca 0.02 -0.24 -0.01 0.00 1.08 0.00 0.00 58.89 59.74 3i5k h TRP 420 Cb 0.89 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 26.86 3i5k h TRP 420 CO 0.02 0.98 -0.12 0.28 -1.28 0.00 0.00 178.44 178.32 3i5k h VAL 421 N 0.62 0.78 -0.46 0.12 2.07 -1.78 -1.65 116.25 115.95 3i5k h VAL 421 Ca 0.06 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.96 3i5k h VAL 421 Cb 0.88 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3i5k h VAL 421 CO 0.08 0.13 0.28 0.03 0.02 0.00 0.00 177.57 178.10 3i5k h ARG 422 N -0.70 0.54 0.02 1.57 3.08 -1.46 0.32 114.38 117.75 3i5k h ARG 422 Ca -0.04 -0.03 -0.28 0.00 0.07 0.00 0.00 59.98 59.71 3i5k h ARG 422 Cb 0.48 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 3i5k h ARG 422 CO 0.06 0.36 -1.51 0.52 -1.07 0.00 0.00 179.97 178.33 3i5k h MET 423 N 0.56 0.05 0.00 0.04 2.86 -1.13 -3.38 114.93 113.92 3i5k h MET 423 Ca 0.18 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3i5k h MET 423 Cb 0.00 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3i5k h MET 423 CO -0.08 0.75 -0.63 0.28 1.06 0.00 0.00 176.91 178.29 3i5k n VAL 424 N -3.20 1.32 -0.04 -2.22 0.31 -0.66 -4.40 118.33 109.44 3i5k n VAL 424 Ca -0.13 0.23 -0.11 0.00 -0.01 0.00 0.00 64.34 64.32 3i5k n VAL 424 Cb 1.02 -1.96 -0.05 0.00 -0.91 0.00 0.00 33.84 31.95 3i5k n VAL 424 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i5k h LEU 425 N -0.52 0.23 -0.45 7.52 4.07 -0.93 -0.65 115.31 124.58 3i5k h LEU 425 Ca -0.03 -0.12 -0.10 0.00 0.08 0.00 0.00 57.88 57.72 3i5k h LEU 425 Cb 0.59 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 3i5k h LEU 425 CO -0.02 0.28 -0.09 0.24 -1.08 0.00 0.00 178.44 177.77 3i5k h MET 426 N 0.16 0.86 0.39 1.13 2.86 -0.59 -1.43 114.93 118.31 3i5k h MET 426 Ca 0.06 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 3i5k h MET 426 Cb 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3i5k h MET 426 CO -0.01 0.96 -0.19 1.15 1.06 0.00 0.00 176.91 179.88 3i5k h THR 427 N 0.70 0.62 0.12 2.22 2.02 -1.72 -1.77 112.91 115.11 3i5k h THR 427 Ca 0.12 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3i5k h THR 427 Cb 0.63 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3i5k h THR 427 CO 0.04 0.02 -0.08 -0.74 0.37 0.00 0.00 175.52 175.14 3i5k h HIS 428 N -0.59 -0.20 -0.34 3.16 6.17 -1.08 -2.10 115.15 120.17 3i5k h HIS 428 Ca -0.05 -0.00 -0.15 0.00 0.71 0.00 0.00 60.37 60.88 3i5k h HIS 428 Cb 0.44 0.07 -0.00 0.00 2.52 0.00 0.00 27.41 30.44 3i5k h HIS 428 CO -0.03 -0.12 -0.36 0.74 0.71 0.00 0.00 177.93 178.87 3i5k h PHE 429 N -0.20 1.02 -0.68 5.26 0.04 -1.29 -0.94 116.94 120.15 3i5k h PHE 429 Ca -0.01 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.43 3i5k h PHE 429 Cb 0.17 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 3i5k h PHE 429 CO -0.09 1.11 0.33 0.74 -0.60 0.00 0.00 178.31 179.81 3i5k h PHE 430 N 0.64 0.96 0.34 -0.55 -1.00 -1.35 0.98 116.94 116.95 3i5k h PHE 430 Ca 0.05 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 3i5k h PHE 430 Cb 0.94 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 3i5k h PHE 430 CO 0.07 0.70 -0.22 1.03 -1.61 0.00 0.00 178.31 178.27 3i5k h SER 431 N 0.97 -0.55 -0.88 2.17 0.87 -1.24 -2.36 113.55 112.53 3i5k h SER 431 Ca 0.24 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.93 3i5k h SER 431 Cb 0.09 0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.15 3i5k h SER 431 CO -0.03 -0.35 0.52 0.40 -0.53 0.00 0.00 176.83 176.84 3i5k h ILE 432 N -0.54 0.95 -0.51 2.23 1.08 -0.83 -0.91 117.51 118.97 3i5k h ILE 432 Ca -0.03 -0.30 -0.08 0.00 -0.39 0.00 0.00 64.86 64.05 3i5k h ILE 432 Cb 0.45 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 3i5k h ILE 432 CO 0.03 0.16 0.00 -0.07 -0.69 0.00 0.00 178.15 177.58 3i5k h LEU 433 N 0.89 0.83 -0.44 1.44 3.38 -0.72 -1.04 115.31 119.65 3i5k h LEU 433 Ca 0.41 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3i5k h LEU 433 Cb 0.34 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3i5k h LEU 433 CO -0.23 0.90 -0.24 0.24 0.09 0.00 0.00 178.44 179.19 3i5k h MET 434 N 0.80 0.94 -0.72 1.13 2.86 -0.87 0.16 114.93 119.23 3i5k h MET 434 Ca 0.15 -0.42 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 3i5k h MET 434 Cb 0.48 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.07 3i5k h MET 434 CO 0.02 1.08 0.45 0.28 1.06 0.00 0.00 176.91 179.80 3i5k h VAL 435 N 0.77 1.09 0.00 -2.22 2.07 -0.89 -2.22 116.25 114.85 3i5k h VAL 435 Ca 0.09 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3i5k h VAL 435 Cb 0.82 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3i5k h VAL 435 CO 0.07 0.16 -0.22 0.00 0.02 0.00 0.00 177.57 177.60 3i5k n GLN 436 N -4.66 0.10 -3.67 1.57 6.02 -0.42 -4.95 117.38 111.37 3i5k n GLN 436 Ca 0.08 0.06 -0.24 0.00 -0.01 0.00 0.00 57.00 56.89 3i5k n GLN 436 Cb 0.10 -1.59 0.06 0.00 1.02 0.00 0.00 30.24 29.82 3i5k n GLN 436 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3i5k n ASP 437 N -1.75 -4.29 -1.13 1.08 2.03 0.37 -4.93 116.55 107.91 3i5k n ASP 437 Ca 0.06 -0.67 0.01 0.00 0.52 0.00 0.00 54.79 54.71 3i5k n ASP 437 Cb 0.37 -4.58 0.13 0.00 -0.72 0.00 0.00 41.12 36.32 3i5k n ASP 437 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3i5k n THR 438 N -4.64 1.72 -0.19 5.18 -2.24 -0.04 -4.85 114.28 109.22 3i5k n THR 438 Ca -0.09 -2.88 -0.04 0.00 -2.27 0.00 0.00 64.05 58.77 3i5k n THR 438 Cb 0.59 -0.01 0.06 0.00 -2.10 0.00 0.00 70.33 68.87 3i5k n THR 438 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i5k h LEU 439 N 1.27 0.49 -6.76 3.22 3.38 -1.92 -3.30 115.31 111.68 3i5k h LEU 439 Ca -0.00 0.02 -0.79 0.00 0.09 0.00 0.00 57.88 57.19 3i5k h LEU 439 Cb 1.29 -0.08 -0.24 0.00 0.09 0.00 0.00 40.66 41.73 3i5k h LEU 439 CO 0.14 0.34 1.22 -0.67 0.09 0.00 0.00 178.44 179.56 3i5k n ASP 440 N -4.81 5.96 -3.66 -0.43 2.03 -1.26 -4.10 116.55 110.27 3i5k n ASP 440 Ca 0.06 -3.30 -0.07 0.00 0.52 0.00 0.00 54.79 51.99 3i5k n ASP 440 Cb 0.12 -1.35 -0.09 0.00 -0.72 0.00 0.00 41.12 39.09 3i5k n ASP 440 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3i5k s GLN 441 N -1.66 0.44 0.28 -0.67 0.74 -1.24 -5.10 119.66 112.45 3i5k s GLN 441 Ca 0.34 1.07 -0.30 0.00 0.05 0.00 0.00 55.36 56.53 3i5k s GLN 441 Cb 0.06 0.31 -0.11 0.00 1.10 0.00 0.00 33.01 34.38 3i5k s GLN 441 CO 0.07 -0.20 1.56 -0.80 -0.55 0.00 0.00 175.29 175.37 3i5k s ASN 442 N 2.22 6.43 0.01 6.67 -0.87 -1.26 -4.22 114.94 123.93 3i5k s ASN 442 Ca -0.06 2.89 0.07 0.00 -1.57 0.00 0.00 52.86 54.20 3i5k s ASN 442 Cb -0.10 -2.63 -0.02 0.00 -0.02 0.00 0.00 41.25 38.48 3i5k s ASN 442 CO -0.15 -0.87 -0.22 -0.76 -2.57 0.00 0.00 177.10 172.53 3i5k s LEU 443 N -0.47 2.10 0.08 0.60 1.43 0.10 -4.92 118.68 117.60 3i5k s LEU 443 Ca 0.62 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 3i5k s LEU 443 Cb -0.47 -1.09 -0.07 0.00 0.03 0.00 0.00 46.19 44.60 3i5k s LEU 443 CO 0.47 0.23 0.54 0.20 0.23 0.00 0.00 176.35 178.02 3i5k s ASN 444 N -0.84 6.98 0.13 2.29 0.02 -1.26 -1.75 114.94 120.51 3i5k s ASN 444 Ca 0.08 1.18 -0.11 0.00 -1.02 0.00 0.00 52.86 53.00 3i5k s ASN 444 Cb -0.09 -2.33 0.01 0.00 0.02 0.00 0.00 41.25 38.86 3i5k s ASN 444 CO 0.00 0.25 0.29 0.72 0.02 0.00 0.00 177.10 178.39 3i5k s PHE 445 N -1.18 0.15 -0.12 2.20 -0.12 -0.39 -1.11 117.98 117.42 3i5k s PHE 445 Ca 0.30 -0.53 -0.10 0.00 -0.05 0.00 0.00 56.93 56.54 3i5k s PHE 445 Cb -0.18 0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.20 3i5k s PHE 445 CO 0.18 -0.67 0.21 -2.00 -0.05 0.00 0.00 175.22 172.89 3i5k s GLU 446 N -3.89 3.81 -0.17 1.99 2.56 -0.59 -1.06 118.70 121.34 3i5k s GLU 446 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.97 54.97 3i5k s GLU 446 Cb 0.03 -3.28 0.07 0.00 2.00 0.00 0.00 34.13 32.95 3i5k s GLU 446 CO -0.06 0.58 0.39 1.41 -0.56 0.00 0.00 175.26 177.02 3i5k s MET 447 N -0.52 0.34 -1.56 4.30 -2.45 -0.39 -4.43 119.30 114.60 3i5k s MET 447 Ca 0.15 0.85 -0.14 0.00 -1.25 0.00 0.00 55.69 55.30 3i5k s MET 447 Cb -0.13 0.08 0.10 0.00 1.25 0.00 0.00 34.83 36.13 3i5k s MET 447 CO 0.04 -0.20 0.96 0.66 1.05 0.00 0.00 175.02 177.54 3i5k n TYR 448 N 4.70 -2.24 -0.89 4.11 4.02 -1.26 -2.13 117.16 123.46 3i5k n TYR 448 Ca -0.17 0.89 0.00 0.00 -0.01 0.00 0.00 57.90 58.61 3i5k n TYR 448 Cb 0.53 -3.85 0.00 0.00 -0.02 0.00 0.00 39.34 36.00 3i5k n TYR 448 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i5k n GLY 449 N -1.66 0.51 3.59 2.72 0.00 -1.26 -4.18 105.19 104.91 3i5k n GLY 449 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3i5k n GLY 449 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i5k s SER 450 N -2.37 3.22 -0.13 1.61 1.04 -0.91 -0.07 113.70 116.09 3i5k s SER 450 Ca 0.00 -1.62 -0.03 0.00 0.48 0.00 0.00 55.95 54.78 3i5k s SER 450 Cb 0.00 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 3i5k s SER 450 CO 0.00 -0.85 -0.01 -0.69 0.98 0.00 0.00 173.24 172.67 3i5k s VAL 451 N -3.09 4.14 0.20 5.02 1.01 -0.09 -1.26 120.40 126.33 3i5k s VAL 451 Ca 0.20 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.95 3i5k s VAL 451 Cb 0.03 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 3i5k s VAL 451 CO 0.11 0.54 -0.09 -0.31 0.00 0.00 0.00 175.10 175.34 3i5k s TYR 452 N -0.16 1.54 -0.09 5.22 2.02 -0.23 -0.94 117.35 124.71 3i5k s TYR 452 Ca 0.04 -0.72 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 3i5k s TYR 452 Cb -0.13 -0.79 0.02 0.00 -0.40 0.00 0.00 41.96 40.66 3i5k s TYR 452 CO 0.02 0.18 -0.07 0.45 -1.57 0.00 0.00 175.55 174.55 3i5k s SER 453 N -3.27 1.94 0.00 2.29 0.15 -0.43 -1.26 113.70 113.12 3i5k s SER 453 Ca 0.22 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.61 3i5k s SER 453 Cb 0.02 -0.77 -0.00 0.00 -1.71 0.00 0.00 66.02 63.56 3i5k s SER 453 CO 0.05 -0.09 -0.01 -0.69 1.20 0.00 0.00 173.24 173.70 3i5k s VAL 454 N 1.47 0.05 -0.19 4.45 1.01 -0.72 -3.18 120.40 123.29 3i5k s VAL 454 Ca -0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 3i5k s VAL 454 Cb -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 3i5k s VAL 454 CO -0.05 -0.07 0.76 0.21 0.00 0.00 0.00 175.10 175.95 3i5k s ASN 455 N -0.23 6.84 0.55 3.32 3.84 -1.26 -0.72 114.94 127.27 3i5k s ASN 455 Ca -0.02 1.04 0.27 0.00 0.21 0.00 0.00 52.86 54.35 3i5k s ASN 455 Cb -0.02 -2.41 1.45 0.00 -0.55 0.00 0.00 41.25 39.72 3i5k s ASN 455 CO -0.00 -0.37 1.99 -0.65 -2.79 0.00 0.00 177.10 175.28 3i5k h PRO 456 N 7.43 0.00 0.00 0.43 0.11 -1.75 0.13 132.00 138.35 3i5k h PRO 456 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3i5k h PRO 456 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3i5k h PRO 456 CO 0.82 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 3i5k n LEU 457 N -4.19 0.51 -0.63 2.35 4.77 -1.26 -1.92 117.00 116.63 3i5k n LEU 457 Ca 0.09 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.88 3i5k n LEU 457 Cb 0.60 -0.66 0.39 0.00 -2.33 0.00 0.00 43.42 41.42 3i5k n LEU 457 CO 0.34 -0.68 0.79 0.47 -1.33 0.00 0.00 177.39 176.99 3i5k n ASP 458 N -2.12 1.98 -0.21 -1.43 8.00 0.46 -4.55 116.55 118.67 3i5k n ASP 458 Ca 0.01 -1.66 -0.02 0.00 0.71 0.00 0.00 54.79 53.83 3i5k n ASP 458 Cb 0.13 -0.01 0.09 0.00 -0.02 0.00 0.00 41.12 41.31 3i5k n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3i5k h LEU 459 N 3.07 0.47 -0.48 0.64 3.38 -1.49 -1.62 115.31 119.29 3i5k h LEU 459 Ca 0.00 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3i5k h LEU 459 Cb 0.65 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 3i5k h LEU 459 CO 0.00 0.31 -0.15 -0.65 0.09 0.00 0.00 178.44 178.03 3i5k h PRO 460 N 0.61 -0.04 -0.40 1.13 0.11 -1.83 0.17 132.00 131.75 3i5k h PRO 460 Ca 0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 3i5k h PRO 460 Cb 0.19 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3i5k h PRO 460 CO -0.19 -0.03 0.11 0.00 -0.21 0.00 0.00 178.00 177.69 3i5k h ALA 461 N 1.38 0.53 -0.17 -0.75 0.00 -1.79 -1.10 119.26 117.36 3i5k h ALA 461 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i5k h ALA 461 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i5k h ALA 461 CO -0.51 0.18 0.08 0.82 0.00 0.00 0.00 179.25 179.82 3i5k h ILE 462 N 0.50 1.12 -0.32 0.00 2.04 -0.99 -1.49 117.51 118.38 3i5k h ILE 462 Ca 0.13 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3i5k h ILE 462 Cb 0.28 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3i5k h ILE 462 CO -0.00 0.12 0.13 0.40 0.00 0.00 0.00 178.15 178.79 3i5k h ILE 463 N 0.15 1.18 -0.47 -0.67 2.04 -0.62 -1.69 117.51 117.44 3i5k h ILE 463 Ca 0.06 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.41 3i5k h ILE 463 Cb 0.11 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 3i5k h ILE 463 CO -0.01 0.20 0.15 -0.08 0.00 0.00 0.00 178.15 178.41 3i5k h GLU 464 N 0.37 0.31 -0.60 2.37 4.81 -1.14 0.18 114.58 120.88 3i5k h GLU 464 Ca 0.11 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3i5k h GLU 464 Cb 0.19 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3i5k h GLU 464 CO -0.01 0.20 0.40 -0.09 -0.73 0.00 0.00 179.01 178.79 3i5k h ARG 465 N 0.32 0.80 0.20 1.92 9.65 -1.00 0.26 114.38 126.52 3i5k h ARG 465 Ca 0.22 -0.05 -0.32 0.00 -1.10 0.00 0.00 59.98 58.73 3i5k h ARG 465 Cb 0.24 -0.18 0.02 0.00 -1.39 0.00 0.00 29.97 28.66 3i5k h ARG 465 CO -0.24 0.53 -1.48 -0.07 2.80 0.00 0.00 179.97 181.51 3i5k h LEU 466 N 0.82 0.65 -0.03 3.80 3.38 -1.01 -3.40 115.31 119.52 3i5k h LEU 466 Ca 0.22 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3i5k h LEU 466 Cb -0.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3i5k h LEU 466 CO -0.05 1.60 -0.19 1.41 0.09 0.00 0.00 178.44 181.31 3i5k n HIS 467 N -3.61 0.00 0.00 1.13 8.25 0.62 -4.67 115.22 116.94 3i5k n HIS 467 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3i5k n HIS 467 Cb 1.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.18 3i5k n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i5k n GLY 468 N 1.08 -2.24 0.34 -1.41 0.00 0.91 -4.29 105.19 99.58 3i5k n GLY 468 Ca 0.01 -1.48 0.17 0.00 0.00 0.00 0.00 46.02 44.71 3i5k n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5k h LEU 469 N 0.00 0.00 -2.46 0.99 3.38 -1.89 -2.09 115.31 113.24 3i5k h LEU 469 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i5k h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i5k h LEU 469 CO 0.00 0.00 -0.03 0.44 0.09 0.00 0.00 178.44 178.94 3i5k h ASP 470 N 0.00 0.00 0.00 -0.43 3.32 -1.95 -1.72 116.42 115.63 3i5k h ASP 470 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3i5k h ASP 470 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3i5k h ASP 470 CO -0.00 0.03 0.04 0.00 -1.72 0.00 0.00 179.24 177.59 3i5k h ALA 471 N 1.97 1.03 -0.24 3.45 0.00 -1.56 -0.56 119.26 123.37 3i5k h ALA 471 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i5k h ALA 471 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i5k h ALA 471 CO 0.00 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.41 3i5k n PHE 472 N -2.61 0.29 -0.62 0.00 3.72 -0.65 -4.48 117.46 113.11 3i5k n PHE 472 Ca -0.02 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3i5k n PHE 472 Cb 0.09 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3i5k n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3i5k n SER 473 N 1.35 0.25 -4.70 4.37 7.64 -0.31 -4.49 113.62 117.72 3i5k n SER 473 Ca 0.16 -0.89 -0.43 0.00 1.01 0.00 0.00 58.87 58.73 3i5k n SER 473 Cb 0.57 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.80 3i5k n SER 473 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3i5k n MET 474 N -0.04 2.20 -3.87 1.43 2.81 -0.62 -4.26 117.12 114.77 3i5k n MET 474 Ca 0.00 0.78 -0.13 0.00 -1.81 0.00 0.00 57.70 56.53 3i5k n MET 474 Cb 0.15 -2.41 -0.02 0.00 -0.71 0.00 0.00 33.22 30.24 3i5k n MET 474 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3i5k n HIS 475 N 0.94 -1.58 -3.72 2.03 1.44 -0.12 -4.97 115.22 109.23 3i5k n HIS 475 Ca 0.07 -2.21 -0.29 0.00 -2.01 0.00 0.00 57.72 53.28 3i5k n HIS 475 Cb 0.35 0.60 0.03 0.00 0.12 0.00 0.00 29.99 31.09 3i5k n HIS 475 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 3i5k n THR 476 N -0.56 -5.33 -1.18 0.61 -1.04 -1.26 -0.71 114.28 104.81 3i5k n THR 476 Ca -0.01 -0.85 -0.31 0.00 -2.04 0.00 0.00 64.05 60.84 3i5k n THR 476 Cb 0.57 -4.05 0.10 0.00 -1.82 0.00 0.00 70.33 65.13 3i5k n THR 476 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3i5k s TYR 477 N -3.57 2.44 0.56 -1.42 2.02 -1.26 -4.05 117.35 112.07 3i5k s TYR 477 Ca 0.35 1.56 -0.18 0.00 -0.37 0.00 0.00 57.07 58.44 3i5k s TYR 477 Cb -0.12 -3.09 -0.05 0.00 -0.40 0.00 0.00 41.96 38.30 3i5k s TYR 477 CO 0.86 -1.97 1.08 -1.54 -1.57 0.00 0.00 175.55 172.41 3i5k s SER 478 N -3.30 5.82 0.26 2.29 1.04 -1.22 -4.86 113.70 113.72 3i5k s SER 478 Ca 0.62 1.97 -0.05 0.00 0.48 0.00 0.00 55.95 58.96 3i5k s SER 478 Cb -0.18 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.67 3i5k s SER 478 CO 0.56 -1.14 1.92 0.45 0.98 0.00 0.00 173.24 176.01 3i5k h HIS 479 N 0.88 1.23 -0.71 5.02 3.86 -1.95 -0.67 115.15 122.81 3i5k h HIS 479 Ca -0.48 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 58.78 3i5k h HIS 479 Cb 1.23 -0.41 -0.05 0.00 1.06 0.00 0.00 27.41 29.25 3i5k h HIS 479 CO 0.56 0.79 0.44 0.45 0.86 0.00 0.00 177.93 181.02 3i5k h HIS 480 N 1.31 0.82 0.05 2.45 3.86 -1.99 0.90 115.15 122.54 3i5k h HIS 480 Ca 0.35 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.58 3i5k h HIS 480 Cb -0.12 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.08 3i5k h HIS 480 CO 0.00 0.46 -0.02 1.49 0.86 0.00 0.00 177.93 180.72 3i5k h GLU 481 N 0.85 -0.06 -0.82 2.45 4.57 -1.85 -2.09 114.58 117.62 3i5k h GLU 481 Ca 0.29 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.52 3i5k h GLU 481 Cb 0.04 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3i5k h GLU 481 CO -0.12 0.34 0.52 -0.07 -1.18 0.00 0.00 179.01 178.50 3i5k h LEU 482 N -0.47 0.83 -0.53 1.64 3.38 -1.05 -1.43 115.31 117.68 3i5k h LEU 482 Ca -0.01 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3i5k h LEU 482 Cb 0.43 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3i5k h LEU 482 CO 0.01 0.55 0.33 0.74 0.09 0.00 0.00 178.44 180.16 3i5k h THR 483 N 0.98 1.07 -0.04 0.22 2.02 -0.82 -0.05 112.91 116.30 3i5k h THR 483 Ca 0.34 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 3i5k h THR 483 Cb 0.09 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3i5k h THR 483 CO -0.14 0.12 0.02 -0.09 0.37 0.00 0.00 175.52 175.80 3i5k h ARG 484 N 0.65 0.05 0.27 6.66 2.43 -0.95 -0.97 114.38 122.52 3i5k h ARG 484 Ca 0.21 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3i5k h ARG 484 Cb 0.00 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3i5k h ARG 484 CO -0.09 0.12 -0.14 0.28 -1.51 0.00 0.00 179.97 178.63 3i5k h VAL 485 N -0.03 0.71 -0.83 0.20 2.07 -1.17 -1.77 116.25 115.43 3i5k h VAL 485 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3i5k h VAL 485 Cb 0.08 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 3i5k h VAL 485 CO -0.00 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.07 3i5k h ALA 486 N 0.35 1.18 -0.65 1.67 0.00 -0.97 -1.36 119.26 119.47 3i5k h ALA 486 Ca -0.03 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3i5k h ALA 486 Cb 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i5k h ALA 486 CO 0.05 0.13 0.14 1.03 0.00 0.00 0.00 179.25 180.59 3i5k h SER 487 N 0.82 0.99 -0.44 0.00 0.87 -1.06 -1.32 113.55 113.40 3i5k h SER 487 Ca 0.39 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3i5k h SER 487 Cb 0.33 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3i5k h SER 487 CO -0.23 0.96 0.23 0.00 -0.53 0.00 0.00 176.83 177.26 3i5k h ALA 488 N 1.16 0.56 -0.66 6.23 0.00 -0.62 -0.95 119.26 124.97 3i5k h ALA 488 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i5k h ALA 488 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3i5k h ALA 488 CO 0.00 0.09 0.39 -0.07 0.00 0.00 0.00 179.25 179.67 3i5k h LEU 489 N 0.57 0.80 -0.54 0.00 3.38 -0.90 -1.83 115.31 116.80 3i5k h LEU 489 Ca 0.15 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3i5k h LEU 489 Cb 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3i5k h LEU 489 CO -0.02 0.63 0.12 0.03 0.09 0.00 0.00 178.44 179.29 3i5k h ARG 490 N 0.90 0.87 -0.95 1.13 3.08 -1.08 0.24 114.38 118.56 3i5k h ARG 490 Ca 0.24 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3i5k h ARG 490 Cb -0.01 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 3i5k h ARG 490 CO -0.04 0.83 0.63 -0.22 -1.07 0.00 0.00 179.97 180.10 3i5k h LYS 491 N 0.76 1.25 -0.01 0.04 3.64 -0.80 -2.83 116.57 118.62 3i5k h LYS 491 Ca 0.17 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3i5k h LYS 491 Cb 0.36 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3i5k h LYS 491 CO 0.00 0.83 -0.22 1.28 -2.27 0.00 0.00 179.45 179.07 3i5k n LEU 492 N -4.39 0.99 -2.85 5.20 4.77 -0.72 -4.92 117.00 115.07 3i5k n LEU 492 Ca 0.11 -0.25 -0.18 0.00 -0.03 0.00 0.00 56.01 55.66 3i5k n LEU 492 Cb 0.02 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3i5k n LEU 492 CO 0.37 0.18 0.18 0.61 -1.33 0.00 0.00 177.39 177.40 3i5k n GLY 493 N 1.32 -0.21 3.87 -0.72 0.00 -0.82 -1.76 105.19 106.87 3i5k n GLY 493 Ca 0.13 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3i5k n GLY 493 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k s ALA 494 N -3.23 3.46 0.46 4.61 0.00 0.01 -0.85 121.76 126.22 3i5k s ALA 494 Ca 0.44 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 3i5k s ALA 494 Cb -0.19 -2.57 -0.10 0.00 0.00 0.00 0.00 23.12 20.26 3i5k s ALA 494 CO 0.54 0.38 0.99 -2.30 0.00 0.00 0.00 175.76 175.37 3i5k n PRO 495 N -0.38 1.26 -1.22 0.00 -0.02 -1.26 -4.63 135.00 128.76 3i5k n PRO 495 Ca 0.02 0.46 -0.31 0.00 -2.02 0.00 0.00 63.50 61.65 3i5k n PRO 495 Cb 0.53 -2.06 0.11 0.00 -0.02 0.00 0.00 33.50 32.06 3i5k n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i5k s PRO 496 N -2.14 1.86 0.57 0.52 0.04 -1.26 -4.82 135.00 129.78 3i5k s PRO 496 Ca 0.65 1.06 0.27 0.00 0.04 0.00 0.00 61.00 63.02 3i5k s PRO 496 Cb -0.53 -1.86 1.57 0.00 0.04 0.00 0.00 34.50 33.73 3i5k s PRO 496 CO 0.55 -1.89 2.08 -0.07 0.04 0.00 0.00 177.00 177.71 3i5k h LEU 497 N -1.31 0.00 -0.93 -3.56 3.38 -1.99 -0.16 115.31 110.74 3i5k h LEU 497 Ca -0.46 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 3i5k h LEU 497 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3i5k h LEU 497 CO 0.52 0.00 -0.53 0.08 0.09 0.00 0.00 178.44 178.60 3i5k h ARG 498 N 0.00 0.00 -0.26 1.13 0.11 -2.00 -0.63 114.38 112.74 3i5k h ARG 498 Ca 0.11 -0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.05 3i5k h ARG 498 Cb 0.55 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.63 3i5k h ARG 498 CO -0.00 0.53 -0.39 0.28 0.10 0.00 0.00 179.97 180.49 3i5k h VAL 499 N 0.00 1.30 -0.98 0.08 2.07 -1.38 -2.81 116.25 114.52 3i5k h VAL 499 Ca -0.01 -1.59 0.06 0.00 0.82 0.00 0.00 66.70 65.99 3i5k h VAL 499 Cb 0.94 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 3i5k h VAL 499 CO 0.07 0.51 0.64 -0.50 0.02 0.00 0.00 177.57 178.30 3i5k h TRP 500 N 0.46 1.18 -0.50 1.57 4.06 -1.19 -0.91 115.95 120.61 3i5k h TRP 500 Ca 0.02 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.95 3i5k h TRP 500 Cb 0.99 -0.39 -0.02 0.00 -1.00 0.00 0.00 29.16 28.74 3i5k h TRP 500 CO 0.08 0.62 0.11 -0.22 -3.56 0.00 0.00 178.44 175.47 3i5k h LYS 501 N 1.16 0.81 -0.43 0.49 3.64 -1.07 0.34 116.57 121.51 3i5k h LYS 501 Ca 0.42 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3i5k h LYS 501 Cb 0.15 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3i5k h LYS 501 CO -0.16 0.79 0.17 0.77 -2.27 0.00 0.00 179.45 178.75 3i5k h SER 502 N 0.70 0.59 -0.66 4.20 0.02 -1.20 -2.43 113.55 114.77 3i5k h SER 502 Ca 0.16 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3i5k h SER 502 Cb 0.35 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3i5k h SER 502 CO 0.00 0.60 0.41 -0.09 -1.14 0.00 0.00 176.83 176.62 3i5k h ARG 503 N 0.55 0.88 -0.83 3.45 2.43 -1.00 -2.75 114.38 117.11 3i5k h ARG 503 Ca 0.14 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3i5k h ARG 503 Cb 0.20 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3i5k h ARG 503 CO -0.01 0.61 0.50 0.00 -1.51 0.00 0.00 179.97 179.56 3i5k h ALA 504 N 1.22 1.30 -0.70 2.80 0.00 -0.82 -0.91 119.26 122.15 3i5k h ALA 504 Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i5k h ALA 504 Cb -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3i5k h ALA 504 CO -0.05 0.59 0.32 0.00 0.00 0.00 0.00 179.25 180.12 3i5k h ARG 505 N 1.15 1.00 -0.12 0.00 3.08 -1.14 0.24 114.38 118.59 3i5k h ARG 505 Ca 0.30 -0.14 -0.19 0.00 0.07 0.00 0.00 59.98 60.02 3i5k h ARG 505 Cb -0.04 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 29.84 3i5k h ARG 505 CO -0.06 0.78 -0.67 0.00 -1.07 0.00 0.00 179.97 178.95 3i5k h ALA 506 N 1.36 0.25 -0.54 0.04 0.00 -1.35 -2.30 119.26 116.73 3i5k h ALA 506 Ca 0.24 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i5k h ALA 506 Cb 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3i5k h ALA 506 CO -0.03 0.55 0.33 0.28 0.00 0.00 0.00 179.25 180.38 3i5k h VAL 507 N 0.35 1.16 -0.34 0.00 2.07 -0.87 -2.05 116.25 116.58 3i5k h VAL 507 Ca -0.05 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.15 3i5k h VAL 507 Cb 1.31 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3i5k h VAL 507 CO 0.14 0.16 0.17 -0.09 0.02 0.00 0.00 177.57 177.97 3i5k h ARG 508 N 0.72 0.34 -0.81 1.57 2.43 -0.53 -1.42 114.38 116.69 3i5k h ARG 508 Ca 0.19 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3i5k h ARG 508 Cb -0.02 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 3i5k h ARG 508 CO -0.04 0.22 0.52 0.00 -1.51 0.00 0.00 179.97 179.16 3i5k h ALA 509 N 1.18 1.05 -0.31 2.80 0.00 -1.23 -1.26 119.26 121.49 3i5k h ALA 509 Ca 0.14 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3i5k h ALA 509 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3i5k h ALA 509 CO -0.10 0.35 -0.40 0.77 0.00 0.00 0.00 179.25 179.87 3i5k h SER 510 N 1.02 0.81 -0.34 0.00 0.02 -1.08 -1.95 113.55 112.03 3i5k h SER 510 Ca 0.32 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3i5k h SER 510 Cb -0.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3i5k h SER 510 CO -0.10 1.11 0.11 -0.07 -1.14 0.00 0.00 176.83 176.74 3i5k h LEU 511 N 0.62 0.49 -0.84 5.07 3.38 -1.06 -3.09 115.31 119.87 3i5k h LEU 511 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3i5k h LEU 511 Cb 0.95 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3i5k h LEU 511 CO 0.09 0.56 0.49 0.40 0.09 0.00 0.00 178.44 180.07 3i5k h ILE 512 N 0.40 1.24 0.00 1.22 2.04 -1.13 -2.06 117.51 119.22 3i5k h ILE 512 Ca 0.11 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3i5k h ILE 512 Cb 0.24 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3i5k h ILE 512 CO -0.00 0.26 0.00 0.77 0.00 0.00 0.00 178.15 179.17 3i5k h SER 513 N 1.16 0.00 1.50 1.72 4.64 -1.28 -1.87 113.55 119.42 3i5k h SER 513 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3i5k h SER 513 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3i5k h SER 513 CO -0.05 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 175.94 3i5k h ARG 514 N 0.00 0.00 0.00 4.77 3.08 -1.30 -3.50 114.38 117.43 3i5k h ARG 514 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i5k h ARG 514 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3i5k h ARG 514 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3i5k n GLY 515 N 1.09 -1.28 7.00 0.04 0.00 -0.70 -4.85 105.19 106.49 3i5k n GLY 515 Ca 0.05 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3i5k n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 516 N 0.00 1.66 0.24 -0.02 0.00 -1.26 -1.51 105.19 104.30 3i5k n GLY 516 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 3i5k n GLY 516 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5k h LYS 517 N 0.00 0.40 -0.93 1.61 1.57 -1.93 -2.43 116.57 114.87 3i5k h LYS 517 Ca 0.00 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3i5k h LYS 517 Cb 0.00 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 3i5k h LYS 517 CO 0.00 0.57 0.60 0.00 -0.57 0.00 0.00 179.45 180.05 3i5k h ALA 518 N 1.45 1.25 -0.23 3.86 0.00 -1.83 -0.99 119.26 122.76 3i5k h ALA 518 Ca 0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3i5k h ALA 518 Cb 0.53 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i5k h ALA 518 CO 0.03 0.42 -0.38 0.00 0.00 0.00 0.00 179.25 179.33 3i5k h ALA 519 N 1.40 0.90 -0.79 0.00 0.00 -0.78 -1.52 119.26 118.47 3i5k h ALA 519 Ca 0.38 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i5k h ALA 519 Cb 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3i5k h ALA 519 CO -0.14 0.63 0.47 0.28 0.00 0.00 0.00 179.25 180.49 3i5k h VAL 520 N 0.44 1.22 -0.33 0.00 2.07 -1.21 -0.16 116.25 118.29 3i5k h VAL 520 Ca 0.04 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3i5k h VAL 520 Cb 0.87 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3i5k h VAL 520 CO 0.07 0.24 0.18 0.00 0.02 0.00 0.00 177.57 178.08 3i5k h GLY 522 N 0.41 -0.54 0.94 0.00 0.00 -0.84 -1.18 103.07 101.86 3i5k h GLY 522 Ca 0.12 0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.84 3i5k h GLY 522 CO -0.02 -0.22 0.01 3.21 0.00 0.00 0.00 176.54 179.52 3i5k h ARG 523 N -0.43 0.68 0.05 4.80 3.08 -0.87 -2.82 114.38 118.87 3i5k h ARG 523 Ca 0.09 -0.21 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 3i5k h ARG 523 Cb 0.58 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3i5k h ARG 523 CO -0.39 0.77 -0.85 1.88 -1.07 0.00 0.00 179.97 180.31 3i5k h TYR 524 N 0.51 0.19 0.00 3.04 -1.99 -1.25 -3.20 116.97 114.27 3i5k h TYR 524 Ca 0.11 -0.14 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 3i5k h TYR 524 Cb 0.46 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 3i5k h TYR 524 CO 0.04 1.33 -0.37 -0.07 -0.00 0.00 0.00 178.16 179.09 3i5k h LEU 525 N -0.73 0.00 -3.05 3.88 3.38 -1.34 -3.30 115.31 114.15 3i5k h LEU 525 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3i5k h LEU 525 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3i5k h LEU 525 CO -0.03 0.37 0.00 0.49 0.09 0.00 0.00 178.44 179.37 3i5k n PHE 526 N -3.40 0.20 0.24 1.13 3.72 -1.06 -4.63 117.46 113.64 3i5k n PHE 526 Ca 0.01 -0.89 0.08 0.00 -0.05 0.00 0.00 57.45 56.59 3i5k n PHE 526 Cb 0.55 -0.16 0.59 0.00 -0.94 0.00 0.00 39.48 39.52 3i5k n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3i5k h ASN 527 N 0.42 0.00 0.01 4.37 -1.24 -1.64 -1.87 115.58 115.63 3i5k h ASN 527 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 3i5k h ASN 527 Cb 1.01 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.06 3i5k h ASN 527 CO 0.04 0.17 -0.00 4.11 -1.29 0.00 0.00 177.43 180.46 3i5k h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.82 -3.21 115.95 116.67 3i5k h TRP 528 Ca -0.00 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.90 3i5k h TRP 528 Cb 0.35 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.50 3i5k h TRP 528 CO 0.00 0.00 -0.72 0.00 -1.28 0.00 0.00 178.44 176.45 3i5k h ALA 529 N 2.00 0.70 -2.58 0.11 0.00 -1.69 -3.47 119.26 114.32 3i5k h ALA 529 Ca -0.00 -0.34 -0.55 0.00 0.00 0.00 0.00 54.91 54.02 3i5k h ALA 529 Cb 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i5k h ALA 529 CO 0.00 0.41 -0.28 0.14 0.00 0.00 0.00 179.25 179.52 3i5k s VAL 530 N -3.10 5.14 -0.01 0.00 -7.23 -1.21 -4.83 120.40 109.16 3i5k s VAL 530 Ca 0.02 -0.10 -0.23 0.00 -1.81 0.00 0.00 61.98 59.86 3i5k s VAL 530 Cb 0.08 -3.68 -0.16 0.00 0.56 0.00 0.00 36.38 33.18 3i5k s VAL 530 CO 0.75 -0.11 1.08 0.50 -0.31 0.00 0.00 175.10 177.01 3i5k h LYS 531 N 2.29 -0.39 -5.03 4.82 3.64 -1.91 -3.39 116.57 116.59 3i5k h LYS 531 Ca -0.47 0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 58.27 3i5k h LYS 531 Cb 1.18 0.09 -0.17 0.00 -0.41 0.00 0.00 32.23 32.91 3i5k h LYS 531 CO 0.70 -0.05 0.36 0.99 -2.27 0.00 0.00 179.45 179.17 3i5k s THR 532 N -4.23 4.60 0.41 1.00 2.01 -1.26 -5.03 115.64 113.14 3i5k s THR 532 Ca -0.13 -0.78 -0.24 0.00 0.31 0.00 0.00 61.69 60.84 3i5k s THR 532 Cb 0.02 -4.60 -0.08 0.00 0.01 0.00 0.00 72.50 67.84 3i5k s THR 532 CO 0.49 -1.30 1.11 -0.54 -0.69 0.00 0.00 174.62 173.69 3i5k s LYS 533 N 3.26 4.06 0.47 4.92 -0.14 -1.26 -5.04 119.74 126.02 3i5k s LYS 533 Ca 0.18 1.68 -0.13 0.00 -1.36 0.00 0.00 55.97 56.34 3i5k s LYS 533 Cb -0.19 -2.58 -0.07 0.00 -1.68 0.00 0.00 37.83 33.31 3i5k s LYS 533 CO 0.07 -0.27 0.89 -0.51 -0.76 0.00 0.00 175.35 174.77 3i5k s LEU 534 N -2.63 3.68 -0.48 3.17 1.43 -1.26 -5.04 118.68 117.56 3i5k s LEU 534 Ca 0.58 1.35 -0.24 0.00 -1.03 0.00 0.00 54.13 54.79 3i5k s LEU 534 Cb -0.26 -4.27 0.03 0.00 0.03 0.00 0.00 46.19 41.72 3i5k s LEU 534 CO 0.33 -0.53 0.87 -0.75 0.23 0.00 0.00 176.35 176.50 3i5k s LYS 535 N -4.09 3.43 -0.12 1.70 2.36 -1.26 -5.03 119.74 116.73 3i5k s LYS 535 Ca 0.55 -0.06 -0.24 0.00 -2.55 0.00 0.00 55.97 53.66 3i5k s LYS 535 Cb -0.10 -3.97 -0.03 0.00 -1.05 0.00 0.00 37.83 32.69 3i5k s LYS 535 CO 0.34 -1.25 0.76 -0.51 1.55 0.00 0.00 175.35 176.24 3i5k s LEU 536 N 3.62 4.25 0.17 5.43 1.43 -1.26 -5.06 118.68 127.25 3i5k s LEU 536 Ca 0.32 1.18 0.04 0.00 -1.03 0.00 0.00 54.13 54.64 3i5k s LEU 536 Cb -0.12 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 3i5k s LEU 536 CO 0.23 -0.25 0.22 0.42 0.23 0.00 0.00 176.35 177.20 3i5k s THR 537 N 1.46 4.93 0.23 5.49 -4.23 -1.26 -5.06 115.64 117.20 3i5k s THR 537 Ca 0.38 -0.91 -0.32 0.00 -1.18 0.00 0.00 61.69 59.66 3i5k s THR 537 Cb -0.17 -3.55 -0.12 0.00 1.34 0.00 0.00 72.50 69.99 3i5k s THR 537 CO 0.16 -0.13 1.61 -2.65 -0.54 0.00 0.00 174.62 173.07 3i5k n PRO 538 N -0.56 2.53 -2.57 3.99 -0.02 -1.26 -4.95 135.00 132.16 3i5k n PRO 538 Ca -0.08 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 3i5k n PRO 538 Cb 0.55 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 3i5k n PRO 538 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i5k s LEU 539 N 0.47 4.36 0.35 2.45 1.43 -1.26 -4.95 118.68 121.53 3i5k s LEU 539 Ca 0.71 1.81 0.04 0.00 -1.03 0.00 0.00 54.13 55.66 3i5k s LEU 539 Cb -0.56 -3.57 0.68 0.00 0.03 0.00 0.00 46.19 42.77 3i5k s LEU 539 CO 0.41 -0.38 1.99 -0.65 0.23 0.00 0.00 176.35 177.95 3i5k h PRO 540 N 6.86 0.80 0.00 1.29 0.11 -2.02 -2.28 132.00 136.74 3i5k h PRO 540 Ca -0.40 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3i5k h PRO 540 Cb 1.21 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3i5k h PRO 540 CO 0.79 0.53 -0.06 1.49 -0.21 0.00 0.00 178.00 180.53 3i5k h GLU 541 N 0.82 0.00 -0.61 1.05 4.57 -1.98 -2.89 114.58 115.54 3i5k h GLU 541 Ca 0.26 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 3i5k h GLU 541 Cb 0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3i5k h GLU 541 CO -0.07 0.06 0.22 0.00 -1.18 0.00 0.00 179.01 178.04 3i5k h ALA 542 N 1.94 1.24 0.00 2.92 0.00 -1.65 -2.44 119.26 121.27 3i5k h ALA 542 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3i5k h ALA 542 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i5k h ALA 542 CO 0.01 0.55 -0.31 0.00 0.00 0.00 0.00 179.25 179.49 3i5k h ARG 543 N 0.88 0.00 0.00 0.00 3.08 -1.62 -3.11 114.38 113.61 3i5k h ARG 543 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3i5k h ARG 543 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3i5k h ARG 543 CO -0.01 0.31 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.11 3i5k h LEU 544 N 0.00 0.00 -9.52 3.04 4.07 -1.48 -3.44 115.31 107.98 3i5k h LEU 544 Ca -0.00 -0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3i5k h LEU 544 Cb 0.55 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 3i5k h LEU 544 CO 0.04 0.00 0.39 -0.76 -1.08 0.00 0.00 178.44 177.04 3i5k s LEU 545 N -5.22 4.44 -0.40 1.67 1.43 -1.10 -4.50 118.68 115.00 3i5k s LEU 545 Ca 0.09 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 3i5k s LEU 545 Cb 0.09 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.84 3i5k s LEU 545 CO 0.63 -0.18 0.18 -0.62 0.23 0.00 0.00 176.35 176.58 3i5k s ASP 546 N 0.42 5.10 -0.01 2.29 -1.08 0.17 -4.90 116.67 118.66 3i5k s ASP 546 Ca 0.50 -2.14 0.09 0.00 -0.52 0.00 0.00 52.55 50.49 3i5k s ASP 546 Cb -0.24 -1.77 0.27 0.00 -1.46 0.00 0.00 42.92 39.72 3i5k s ASP 546 CO 0.30 -0.48 1.22 0.18 0.52 0.00 0.00 175.17 176.91 3i5k n LEU 547 N 4.40 2.83 0.28 -1.34 4.32 -1.26 -4.44 117.00 121.79 3i5k n LEU 547 Ca 0.00 -2.07 0.13 0.00 -0.02 0.00 0.00 56.01 54.05 3i5k n LEU 547 Cb 0.41 -0.22 0.79 0.00 -1.62 0.00 0.00 43.42 42.79 3i5k n LEU 547 CO 0.30 0.69 1.04 0.77 -1.22 0.00 0.00 177.39 178.97 3i5k h SER 548 N 1.66 0.00 0.00 -1.43 4.64 -1.96 -0.36 113.55 116.09 3i5k h SER 548 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3i5k h SER 548 Cb 0.74 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 3i5k h SER 548 CO 0.01 0.07 -0.38 -1.54 -0.87 0.00 0.00 176.83 174.12 3i5k n SER 549 N -3.79 1.75 0.04 4.97 3.41 -1.26 -4.83 113.62 113.91 3i5k n SER 549 Ca -0.02 -3.33 0.14 0.00 -0.26 0.00 0.00 58.87 55.39 3i5k n SER 549 Cb 0.17 -0.45 0.61 0.00 -0.26 0.00 0.00 64.21 64.27 3i5k n SER 549 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3i5k h TRP 550 N 0.60 0.15 0.06 7.33 7.01 -1.38 -1.03 115.95 128.70 3i5k h TRP 550 Ca -0.02 0.00 -0.24 0.00 2.11 0.00 0.00 58.89 60.74 3i5k h TRP 550 Cb 1.11 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 28.10 3i5k h TRP 550 CO 0.41 0.08 -1.27 0.74 -2.79 0.00 0.00 178.44 175.60 3i5k h PHE 551 N 0.15 0.23 -0.75 2.65 -1.00 -1.82 -3.34 116.94 113.04 3i5k h PHE 551 Ca 0.19 -0.17 0.02 0.00 2.81 0.00 0.00 57.97 60.83 3i5k h PHE 551 Cb 0.57 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 3i5k h PHE 551 CO -0.00 1.50 0.50 0.00 -1.61 0.00 0.00 178.31 178.69 3i5k h THR 552 N -0.61 1.14 -0.02 -1.55 1.03 -1.28 -1.87 112.91 109.75 3i5k h THR 552 Ca -0.30 -0.33 0.01 0.00 -0.01 0.00 0.00 66.41 65.78 3i5k h THR 552 Cb 1.53 0.10 -0.00 0.00 -1.07 0.00 0.00 68.15 68.72 3i5k h THR 552 CO -0.05 0.17 0.02 -0.37 -0.01 0.00 0.00 175.52 175.29 3i5k h VAL 553 N 0.96 0.61 -0.22 0.00 -1.51 -1.35 -1.40 116.25 113.34 3i5k h VAL 553 Ca 0.29 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.69 3i5k h VAL 553 Cb -0.01 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.12 3i5k h VAL 553 CO -0.08 0.00 -0.20 1.23 -1.23 0.00 0.00 177.57 177.30 3i5k h GLY 554 N 0.00 0.41 -0.84 5.19 0.00 -1.46 -3.47 103.07 102.91 3i5k h GLY 554 Ca 0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 47.33 46.68 3i5k h GLY 554 CO -0.00 0.28 -0.33 0.00 0.00 0.00 0.00 176.54 176.49 3i5k n ALA 555 N -2.48 -0.27 -1.41 3.60 0.00 -0.53 -0.80 120.51 118.62 3i5k n ALA 555 Ca -0.00 0.29 -0.15 0.00 0.00 0.00 0.00 53.44 53.57 3i5k n ALA 555 Cb 0.35 -1.84 -0.06 0.00 0.00 0.00 0.00 19.45 17.90 3i5k n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5k n GLY 556 N -0.73 1.42 1.03 0.00 0.00 -1.26 -4.38 105.19 101.27 3i5k n GLY 556 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 3i5k n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 557 N -0.20 2.84 4.01 -0.02 0.00 0.02 -4.59 105.19 107.24 3i5k n GLY 557 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3i5k n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5k n GLY 558 N 0.81 1.85 1.92 -0.02 0.00 0.90 -4.49 105.19 106.15 3i5k n GLY 558 Ca 0.19 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3i5k n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i5k n ASP 559 N 4.90 6.06 -4.23 1.61 2.03 -1.26 -4.37 116.55 121.29 3i5k n ASP 559 Ca 0.00 -2.87 -0.29 0.00 0.52 0.00 0.00 54.79 52.16 3i5k n ASP 559 Cb 0.00 -1.15 -0.16 0.00 -0.72 0.00 0.00 41.12 39.09 3i5k n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3i5k s ILE 560 N -1.35 1.77 -0.03 5.18 -1.09 -1.26 -4.43 121.20 119.99 3i5k s ILE 560 Ca 0.33 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.85 3i5k s ILE 560 Cb 0.22 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.61 3i5k s ILE 560 CO -0.04 0.50 -0.12 0.12 -1.23 0.00 0.00 174.94 174.17 3i5k s PHE 561 N -0.31 1.18 -0.02 3.97 5.36 0.20 -0.92 117.98 127.44 3i5k s PHE 561 Ca 0.03 -0.30 -0.01 0.00 -0.96 0.00 0.00 56.93 55.69 3i5k s PHE 561 Cb -0.11 -0.81 0.02 0.00 -0.34 0.00 0.00 43.02 41.78 3i5k s PHE 561 CO 0.01 -0.11 0.04 -1.01 -1.46 0.00 0.00 175.22 172.69 3i5k s HIS 562 N 0.10 -0.02 0.69 10.12 3.76 -0.12 -4.66 115.29 125.17 3i5k s HIS 562 Ca -0.03 0.14 -0.05 0.00 -0.15 0.00 0.00 55.06 54.98 3i5k s HIS 562 Cb -0.09 -0.11 0.15 0.00 1.11 0.00 0.00 32.58 33.64 3i5k s HIS 562 CO 0.01 -0.06 0.95 0.43 -0.85 0.00 0.00 174.74 175.21 3i5k n SER 563 N 3.69 0.80 -4.70 1.40 7.64 -1.26 -1.31 113.62 119.87 3i5k n SER 563 Ca -0.21 -1.79 -0.42 0.00 1.01 0.00 0.00 58.87 57.47 3i5k n SER 563 Cb 0.55 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 3i5k n SER 563 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i5k s VAL 564 N -2.90 4.45 -0.72 0.44 1.01 -1.19 -4.81 120.40 116.68 3i5k s VAL 564 Ca 0.59 1.75 -0.19 0.00 0.00 0.00 0.00 61.98 64.13 3i5k s VAL 564 Cb -0.03 -4.13 0.11 0.00 0.00 0.00 0.00 36.38 32.34 3i5k s VAL 564 CO 0.40 0.07 0.89 -0.94 0.00 0.00 0.00 175.10 175.52 3i5k s SER 565 N 1.18 6.35 0.00 3.32 1.04 -1.26 -5.06 113.70 119.27 3i5k s SER 565 Ca 0.54 -1.59 0.23 0.00 0.48 0.00 0.00 55.95 55.61 3i5k s SER 565 Cb -0.24 -2.35 0.18 0.00 0.10 0.00 0.00 66.02 63.71 3i5k s SER 565 CO 0.25 -1.14 1.22 0.52 0.98 0.00 0.00 173.24 175.07