#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 4.54 0.25 4.33 1.00 -1.26 -1.34 119.30 126.81 3i5k s MET 2 Ca 0.00 1.88 -0.06 0.00 0.00 0.00 0.00 55.69 57.51 3i5k s MET 2 Cb 0.00 -3.11 0.26 0.00 0.00 0.00 0.00 34.83 31.97 3i5k s MET 2 CO 0.00 0.09 1.89 0.66 0.00 0.00 0.00 175.02 177.66 3i5k h SER 3 N 3.62 1.11 -4.93 3.03 4.64 -1.55 -3.41 113.55 116.06 3i5k h SER 3 Ca -0.47 -0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 60.58 3i5k h SER 3 Cb 1.22 -0.28 -0.19 0.00 -0.31 0.00 0.00 62.40 62.84 3i5k h SER 3 CO 0.66 0.86 -0.70 -0.31 -0.87 0.00 0.00 176.83 176.47 3i5k s TYR 4 N -5.92 0.53 0.26 4.77 2.02 -1.26 -0.75 117.35 116.99 3i5k s TYR 4 Ca -0.13 -0.72 0.12 0.00 -0.37 0.00 0.00 57.07 55.97 3i5k s TYR 4 Cb 0.17 -0.34 -0.05 0.00 -0.40 0.00 0.00 41.96 41.34 3i5k s TYR 4 CO 0.82 -0.20 -0.21 -1.54 -1.57 0.00 0.00 175.55 172.85 3i5k s SER 5 N -2.10 3.51 0.03 2.29 1.04 -0.45 -4.84 113.70 113.19 3i5k s SER 5 Ca -0.04 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.42 3i5k s SER 5 Cb -0.03 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3i5k s SER 5 CO -0.03 0.05 -0.09 0.26 0.98 0.00 0.00 173.24 174.40 3i5k s TRP 6 N -2.35 0.82 0.02 5.02 0.52 -1.26 -0.84 118.94 120.87 3i5k s TRP 6 Ca 0.28 -0.33 0.07 0.00 0.02 0.00 0.00 56.10 56.14 3i5k s TRP 6 Cb -0.05 -0.50 -0.23 0.00 -1.15 0.00 0.00 33.47 31.54 3i5k s TRP 6 CO 0.14 -0.02 0.89 1.79 0.02 0.00 0.00 176.95 179.76 3i5k h THR 7 N 4.64 1.18 0.00 2.01 1.35 -1.43 -3.47 112.91 117.19 3i5k h THR 7 Ca -0.34 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 62.57 3i5k h THR 7 Cb 1.19 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 3i5k h THR 7 CO 0.44 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 177.04 3i5k n GLY 8 N 1.52 2.25 3.74 5.82 0.00 -1.26 -5.09 105.19 112.18 3i5k n GLY 8 Ca -0.12 0.00 -0.40 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 n ALA 9 N -0.51 1.71 -1.77 4.61 0.00 -1.26 -4.96 120.51 118.34 3i5k n ALA 9 Ca 0.00 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 3i5k n ALA 9 Cb 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.07 3i5k n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i5k s LEU 10 N -2.74 3.75 -0.36 0.00 1.02 -1.26 -4.88 118.68 114.21 3i5k s LEU 10 Ca 0.65 1.87 -0.27 0.00 0.02 0.00 0.00 54.13 56.40 3i5k s LEU 10 Cb -0.45 -4.55 0.02 0.00 0.02 0.00 0.00 46.19 41.23 3i5k s LEU 10 CO 0.55 -0.85 1.01 -0.63 0.02 0.00 0.00 176.35 176.45 3i5k s ILE 11 N -2.14 4.51 0.02 -0.59 1.01 -1.26 -4.78 121.20 117.96 3i5k s ILE 11 Ca 0.66 1.40 0.02 0.00 0.00 0.00 0.00 60.65 62.73 3i5k s ILE 11 Cb -0.16 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 3i5k s ILE 11 CO 0.24 -0.58 0.01 0.42 0.00 0.00 0.00 174.94 175.04 3i5k s THR 12 N 3.67 4.20 0.89 2.92 -4.23 -1.26 -4.88 115.64 116.95 3i5k s THR 12 Ca 0.42 -0.65 -0.13 0.00 -1.18 0.00 0.00 61.69 60.15 3i5k s THR 12 Cb -0.11 -2.91 0.13 0.00 1.34 0.00 0.00 72.50 70.95 3i5k s THR 12 CO 0.19 0.32 1.20 -2.16 -0.54 0.00 0.00 174.62 173.64 3i5k s PRO 13 N -1.73 1.30 -0.04 3.99 0.04 -1.26 -4.34 135.00 132.96 3i5k s PRO 13 Ca 0.21 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.26 3i5k s PRO 13 Cb -0.12 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3i5k s PRO 13 CO 0.12 -2.04 -0.03 0.00 0.04 0.00 0.00 177.00 175.09 3i5k s SER 15 N -4.47 5.70 0.26 0.00 1.04 -1.26 -5.09 113.70 109.89 3i5k s SER 15 Ca -0.05 0.26 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 3i5k s SER 15 Cb 0.01 -1.74 -0.13 0.00 0.10 0.00 0.00 66.02 64.26 3i5k s SER 15 CO 0.08 0.37 0.20 -2.65 0.98 0.00 0.00 173.24 172.22 3i5k n PRO 16 N 2.21 0.00 -4.34 4.02 -0.02 -1.26 -5.01 135.00 130.60 3i5k n PRO 16 Ca -0.19 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.05 3i5k n PRO 16 Cb 0.54 -0.80 -0.13 0.00 -0.02 0.00 0.00 33.50 33.09 3i5k n PRO 16 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3i5k s GLU 17 N -0.80 1.15 -0.05 -0.52 2.02 -1.26 -5.15 118.70 114.10 3i5k s GLU 17 Ca 0.49 -1.10 0.06 0.00 0.02 0.00 0.00 54.97 54.43 3i5k s GLU 17 Cb -0.60 -1.37 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 3i5k s GLU 17 CO 0.48 0.32 -0.21 -1.21 0.02 0.00 0.00 175.26 174.66 3i5k s GLU 18 N -1.75 2.43 -0.03 1.61 2.02 -1.26 -5.03 118.70 116.70 3i5k s GLU 18 Ca 0.06 -0.84 0.17 0.00 0.02 0.00 0.00 54.97 54.38 3i5k s GLU 18 Cb -0.10 -2.21 -0.26 0.00 0.10 0.00 0.00 34.13 31.66 3i5k s GLU 18 CO 0.04 0.51 0.36 -0.85 0.02 0.00 0.00 175.26 175.34 3i5k n GLU 19 N 2.61 0.54 -4.21 1.61 0.28 -1.26 -4.52 120.64 115.69 3i5k n GLU 19 Ca -0.17 -0.15 -0.35 0.00 -0.16 0.00 0.00 57.16 56.33 3i5k n GLU 19 Cb 0.52 -1.41 -0.08 0.00 1.43 0.00 0.00 31.44 31.90 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 -3.16 3.10 -0.01 3.44 1.02 -1.26 -0.87 119.74 122.00 3i5k s LYS 20 Ca -0.06 -0.36 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 3i5k s LYS 20 Cb 0.11 -2.90 -0.05 0.00 -0.52 0.00 0.00 37.83 34.47 3i5k s LYS 20 CO 0.71 0.71 1.43 -1.17 -0.92 0.00 0.00 175.35 176.11 3i5k s LEU 21 N -1.07 4.31 0.12 3.17 2.96 -1.20 -4.92 118.68 122.05 3i5k s LEU 21 Ca 0.15 2.11 -0.31 0.00 -0.22 0.00 0.00 54.13 55.86 3i5k s LEU 21 Cb -0.12 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 3i5k s LEU 21 CO 0.05 -0.75 1.46 -2.84 -1.32 0.00 0.00 176.35 172.95 3i5k s PRO 22 N 2.65 4.28 -0.03 0.98 0.02 -1.26 -4.83 135.00 136.80 3i5k s PRO 22 Ca 0.65 2.18 -0.29 0.00 0.02 0.00 0.00 61.00 63.55 3i5k s PRO 22 Cb -0.31 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 30.93 3i5k s PRO 22 CO 0.26 -0.51 0.95 -1.50 -0.33 0.00 0.00 177.00 175.87 3i5k s ILE 23 N 1.24 4.87 -0.27 2.83 2.07 -1.26 -4.94 121.20 125.74 3i5k s ILE 23 Ca 0.67 1.98 -0.23 0.00 -1.41 0.00 0.00 60.65 61.66 3i5k s ILE 23 Cb -0.39 -4.29 0.08 0.00 0.13 0.00 0.00 42.46 38.00 3i5k s ILE 23 CO 0.30 0.14 0.77 0.21 -1.91 0.00 0.00 174.94 174.45 3i5k s ASN 24 N 1.01 -0.73 0.28 4.50 3.84 -1.26 -5.04 114.94 117.54 3i5k s ASN 24 Ca 0.49 1.35 0.02 0.00 0.21 0.00 0.00 52.86 54.93 3i5k s ASN 24 Cb -0.20 1.35 0.66 0.00 -0.55 0.00 0.00 41.25 42.51 3i5k s ASN 24 CO 0.25 -0.23 1.71 -0.65 -2.79 0.00 0.00 177.10 175.39 3i5k h PRO 25 N 5.30 0.44 0.01 0.43 0.11 -1.97 0.45 132.00 136.77 3i5k h PRO 25 Ca -0.29 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 3i5k h PRO 25 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i5k h PRO 25 CO 0.09 0.29 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.09 3i5k h LEU 26 N 0.45 -0.02 -0.77 2.35 3.38 -1.98 -2.70 115.31 116.03 3i5k h LEU 26 Ca 0.53 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 3i5k h LEU 26 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3i5k h LEU 26 CO -0.48 0.35 -0.43 0.77 0.09 0.00 0.00 178.44 178.73 3i5k h SER 27 N -0.38 0.43 0.23 -0.43 4.64 -1.75 -3.04 113.55 113.26 3i5k h SER 27 Ca -0.00 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 3i5k h SER 27 Cb 0.37 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3i5k h SER 27 CO 0.00 0.81 -0.24 -1.13 -0.87 0.00 0.00 176.83 175.41 3i5k h ASN 28 N 0.33 0.01 0.92 4.97 -0.73 -0.14 -1.28 115.58 119.66 3i5k h ASN 28 Ca 0.03 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3i5k h ASN 28 Cb 0.90 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.49 3i5k h ASN 28 CO 0.08 0.24 0.00 -1.54 -0.37 0.00 0.00 177.43 175.84 3i5k n SER 29 N -4.26 0.45 -0.10 1.15 3.41 -1.02 -3.17 113.62 110.08 3i5k n SER 29 Ca -0.02 0.58 -0.23 0.00 -0.26 0.00 0.00 58.87 58.93 3i5k n SER 29 Cb 0.29 -0.69 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 3i5k n SER 29 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3i5k n LEU 30 N -1.96 1.97 -3.77 1.04 7.94 -0.56 -4.74 117.00 116.92 3i5k n LEU 30 Ca 0.04 0.38 -0.13 0.00 -1.11 0.00 0.00 56.01 55.19 3i5k n LEU 30 Cb 0.29 -0.95 -0.11 0.00 0.53 0.00 0.00 43.42 43.18 3i5k n LEU 30 CO 0.22 0.40 -0.01 -1.48 -1.11 0.00 0.00 177.39 175.41 3i5k s LEU 31 N -7.71 0.81 -0.01 -1.96 0.05 -0.75 -4.17 118.68 104.94 3i5k s LEU 31 Ca -0.30 0.56 0.14 0.00 0.05 0.00 0.00 54.13 54.58 3i5k s LEU 31 Cb 0.08 1.11 -0.20 0.00 -2.05 0.00 0.00 46.19 45.13 3i5k s LEU 31 CO 0.59 -0.16 0.70 0.54 -0.55 0.00 0.00 176.35 177.47 3i5k n ARG 32 N 2.67 0.63 -2.22 1.48 1.74 0.26 -4.13 116.66 117.09 3i5k n ARG 32 Ca -0.14 0.25 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 3i5k n ARG 32 Cb 0.58 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 3i5k n ARG 32 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i5k n TYR 33 N -2.97 3.04 0.05 -1.55 4.01 -0.70 -4.77 117.16 114.27 3i5k n TYR 33 Ca -0.15 -2.82 0.04 0.00 -0.16 0.00 0.00 57.90 54.81 3i5k n TYR 33 Cb 0.97 -2.06 0.43 0.00 -0.31 0.00 0.00 39.34 38.38 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 5.78 0.42 0.00 -0.72 2.07 -1.85 -2.46 115.15 118.39 3i5k h HIS 34 Ca 0.43 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 3i5k h HIS 34 Cb 0.63 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 30.47 3i5k h HIS 34 CO 1.29 0.32 0.00 0.09 -3.07 0.00 0.00 177.93 176.56 3i5k n ASN 35 N -4.43 0.00 0.03 3.10 3.02 -1.26 -1.56 115.26 114.16 3i5k n ASN 35 Ca 0.02 0.11 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 3i5k n ASN 35 Cb 0.12 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.01 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 -1.28 0.36 -3.68 3.52 5.02 -0.92 -4.86 118.16 116.32 3i5k n LYS 36 Ca 0.06 -0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 3i5k n LYS 36 Cb 0.09 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.39 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 -3.24 5.37 0.19 -0.18 1.01 -0.60 -0.22 120.40 122.73 3i5k s VAL 37 Ca 0.02 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3i5k s VAL 37 Cb 0.14 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3i5k s VAL 37 CO 0.81 0.38 -0.08 -0.72 0.00 0.00 0.00 175.10 175.48 3i5k s TYR 38 N 0.81 1.50 -0.07 5.22 -0.85 -0.35 -3.24 117.35 120.36 3i5k s TYR 38 Ca 0.08 -0.75 0.05 0.00 -0.52 0.00 0.00 57.07 55.93 3i5k s TYR 38 Cb -0.13 -0.78 -0.00 0.00 0.38 0.00 0.00 41.96 41.43 3i5k s TYR 38 CO 0.02 0.13 -0.23 0.00 -1.52 0.00 0.00 175.55 173.95 3i5k s THR 40 N 0.09 2.69 0.29 0.00 -4.23 0.15 -4.38 115.64 110.25 3i5k s THR 40 Ca -0.10 0.61 0.03 0.00 -1.18 0.00 0.00 61.69 61.05 3i5k s THR 40 Cb -0.15 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 3i5k s THR 40 CO 0.06 0.08 0.17 0.42 -0.54 0.00 0.00 174.62 174.81 3i5k s THR 41 N -1.28 0.26 -0.81 3.99 -4.23 -1.26 -3.93 115.64 108.37 3i5k s THR 41 Ca 0.57 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 3i5k s THR 41 Cb -0.37 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.03 3i5k s THR 41 CO 0.47 0.00 1.22 -1.54 -0.54 0.00 0.00 174.62 174.24 3i5k n SER 42 N -0.89 0.15 0.09 3.99 3.41 -1.26 -2.19 113.62 116.92 3i5k n SER 42 Ca 0.02 0.56 0.05 0.00 -0.26 0.00 0.00 58.87 59.24 3i5k n SER 42 Cb 0.65 -0.58 0.48 0.00 -0.26 0.00 0.00 64.21 64.49 3i5k n SER 42 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3i5k h LYS 43 N 0.00 0.34 -0.53 4.33 3.64 -1.95 -2.23 116.57 120.16 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 0.05 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3i5k h LYS 43 CO 0.00 0.26 0.00 -1.13 -2.27 0.00 0.00 179.45 176.31 3i5k n SER 44 N -4.46 4.46 0.01 4.20 3.41 -0.93 -4.59 113.62 115.73 3i5k n SER 44 Ca 0.01 -2.53 -0.05 0.00 -0.26 0.00 0.00 58.87 56.03 3i5k n SER 44 Cb 0.11 -0.54 0.15 0.00 -0.26 0.00 0.00 64.21 63.67 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 3.40 0.96 -0.25 7.33 0.00 -1.52 -2.76 119.26 126.42 3i5k h ALA 45 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 3i5k h ALA 45 Cb 1.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3i5k h ALA 45 CO 0.22 0.61 -0.41 0.77 0.00 0.00 0.00 179.25 180.44 3i5k h SER 46 N 0.42 0.65 -0.78 0.00 0.02 -1.81 -0.95 113.55 111.10 3i5k h SER 46 Ca 0.05 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3i5k h SER 46 Cb 0.82 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 3i5k h SER 46 CO 0.07 0.99 0.40 -0.61 -1.14 0.00 0.00 176.83 176.53 3i5k h GLN 47 N 0.50 1.12 -0.29 3.45 4.15 -1.84 -1.85 115.11 120.35 3i5k h GLN 47 Ca 0.04 -0.15 -0.13 0.00 0.77 0.00 0.00 58.65 59.18 3i5k h GLN 47 Cb 0.93 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 3i5k h GLN 47 CO 0.08 0.85 -0.33 -0.09 -1.93 0.00 0.00 178.83 177.40 3i5k h ARG 48 N 1.12 0.74 -0.91 1.69 9.65 -1.35 -2.99 114.38 122.33 3i5k h ARG 48 Ca 0.28 -0.41 0.13 0.00 -1.10 0.00 0.00 59.98 58.88 3i5k h ARG 48 Cb 0.08 0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.59 3i5k h ARG 48 CO -0.04 1.03 0.53 0.00 2.80 0.00 0.00 179.97 184.29 3i5k h ALA 49 N 0.70 1.37 -0.19 2.80 0.00 -0.78 -0.94 119.26 122.21 3i5k h ALA 49 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3i5k h ALA 49 Cb 0.91 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i5k h ALA 49 CO 0.08 0.08 0.09 0.87 0.00 0.00 0.00 179.25 180.37 3i5k h LYS 50 N 0.81 0.27 -0.31 0.00 1.79 -1.33 -2.86 116.57 114.95 3i5k h LYS 50 Ca 0.47 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.93 3i5k h LYS 50 Cb 0.54 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.10 3i5k h LYS 50 CO -0.30 0.31 0.08 -0.22 -1.08 0.00 0.00 179.45 178.24 3i5k h LYS 51 N 0.18 0.20 -0.00 3.15 3.64 -1.19 -3.00 116.57 119.54 3i5k h LYS 51 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3i5k h LYS 51 Cb 0.12 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3i5k h LYS 51 CO -0.01 0.13 -0.04 1.33 -2.27 0.00 0.00 179.45 178.59 3i5k n VAL 52 N -5.06 0.00 -3.54 2.00 0.24 -0.44 -4.70 118.33 106.83 3i5k n VAL 52 Ca 0.00 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 61.86 3i5k n VAL 52 Cb 0.12 -0.33 -0.11 0.00 -1.47 0.00 0.00 33.84 32.06 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 -2.45 5.01 0.23 3.34 2.01 -1.08 -4.72 115.64 117.97 3i5k s THR 53 Ca 0.31 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 3i5k s THR 53 Cb 0.20 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 69.07 3i5k s THR 53 CO 0.45 -0.14 0.69 0.72 -0.69 0.00 0.00 174.62 175.65 3i5k s PHE 54 N 1.65 -0.30 0.20 4.92 -0.12 -1.26 -4.95 117.98 118.12 3i5k s PHE 54 Ca 0.05 -0.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.56 3i5k s PHE 54 Cb -0.18 0.66 -0.08 0.00 -0.63 0.00 0.00 43.02 42.78 3i5k s PHE 54 CO 0.09 -1.09 1.04 0.34 -0.05 0.00 0.00 175.22 175.55 3i5k s ASP 55 N -2.86 7.39 -0.13 1.98 2.15 -1.26 -1.47 116.67 122.48 3i5k s ASP 55 Ca 0.08 2.03 -0.01 0.00 0.43 0.00 0.00 52.55 55.08 3i5k s ASP 55 Cb -0.04 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.95 3i5k s ASP 55 CO 0.00 -0.10 -0.08 -0.13 -0.17 0.00 0.00 175.17 174.70 3i5k s ARG 56 N -0.66 3.35 0.22 4.34 3.00 -0.45 -4.96 118.95 123.79 3i5k s ARG 56 Ca 0.46 -0.58 0.10 0.00 0.00 0.00 0.00 55.73 55.71 3i5k s ARG 56 Cb -0.28 -2.74 -0.04 0.00 0.00 0.00 0.00 34.95 31.88 3i5k s ARG 56 CO 0.34 0.34 -0.14 0.95 0.00 0.00 0.00 175.30 176.80 3i5k s THR 57 N 0.06 2.89 -0.15 0.02 -4.23 -1.26 -2.62 115.64 110.36 3i5k s THR 57 Ca -0.02 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.50 3i5k s THR 57 Cb -0.14 -2.46 0.07 0.00 1.34 0.00 0.00 72.50 71.31 3i5k s THR 57 CO 0.03 -0.21 0.32 -1.58 -0.54 0.00 0.00 174.62 172.64 3i5k s GLN 58 N -3.06 0.22 -0.19 3.99 0.74 -1.26 -4.12 119.66 115.98 3i5k s GLN 58 Ca 0.26 0.81 0.01 0.00 0.05 0.00 0.00 55.36 56.49 3i5k s GLN 58 Cb -0.07 0.06 0.04 0.00 1.10 0.00 0.00 33.01 34.13 3i5k s GLN 58 CO 0.15 -0.25 -0.12 0.08 -0.55 0.00 0.00 175.29 174.59 3i5k s VAL 59 N 2.27 1.72 0.16 1.34 1.01 -0.21 -5.02 120.40 121.67 3i5k s VAL 59 Ca -0.02 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3i5k s VAL 59 Cb -0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3i5k s VAL 59 CO -0.10 0.26 0.24 -0.76 0.00 0.00 0.00 175.10 174.74 3i5k s LEU 60 N 1.38 4.18 0.00 3.92 1.43 -1.26 -4.04 118.68 124.29 3i5k s LEU 60 Ca 0.00 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 3i5k s LEU 60 Cb -0.15 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 3i5k s LEU 60 CO -0.09 0.05 0.11 -0.90 0.23 0.00 0.00 176.35 175.75 3i5k n ASP 61 N -0.52 0.25 0.02 2.29 5.68 -1.26 -5.03 116.55 117.99 3i5k n ASP 61 Ca -0.07 -2.05 0.02 0.00 -0.50 0.00 0.00 54.79 52.19 3i5k n ASP 61 Cb 0.54 0.67 0.38 0.00 -1.14 0.00 0.00 41.12 41.57 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 1.43 1.56 -0.15 2.12 0.00 -1.99 -1.47 119.26 120.76 3i5k h ALA 62 Ca -0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i5k h ALA 62 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i5k h ALA 62 CO 0.20 0.34 0.09 0.45 0.00 0.00 0.00 179.25 180.32 3i5k h HIS 63 N 0.48 0.21 0.06 0.00 3.86 -1.97 -1.22 115.15 116.58 3i5k h HIS 63 Ca 0.12 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3i5k h HIS 63 Cb 0.14 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3i5k h HIS 63 CO 0.01 0.19 -0.06 -0.92 0.86 0.00 0.00 177.93 178.01 3i5k h TYR 64 N 0.16 -0.15 -0.81 2.45 3.20 -1.73 -2.16 116.97 117.93 3i5k h TYR 64 Ca 0.05 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3i5k h TYR 64 Cb 0.05 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 3i5k h TYR 64 CO -0.05 -0.10 0.47 -0.44 -1.64 0.00 0.00 178.16 176.41 3i5k h ASP 65 N -0.14 0.70 -0.52 -2.11 3.32 -1.21 -1.15 116.42 115.32 3i5k h ASP 65 Ca 0.00 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 3i5k h ASP 65 Cb 0.13 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3i5k h ASP 65 CO -0.02 0.43 -0.04 -1.28 -1.72 0.00 0.00 179.24 176.61 3i5k h SER 66 N 0.83 0.92 -0.34 6.45 0.87 -1.09 -1.43 113.55 119.76 3i5k h SER 66 Ca 0.37 -0.32 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 3i5k h SER 66 Cb 0.27 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3i5k h SER 66 CO -0.21 1.03 -0.03 0.58 -0.53 0.00 0.00 176.83 177.66 3i5k h VAL 67 N 0.80 1.27 -0.81 2.23 2.07 -0.96 -2.76 116.25 118.08 3i5k h VAL 67 Ca 0.14 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.65 3i5k h VAL 67 Cb 0.57 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3i5k h VAL 67 CO 0.03 0.34 0.52 0.25 0.02 0.00 0.00 177.57 178.74 3i5k h LEU 68 N 0.43 0.87 -0.45 2.57 5.85 -1.14 -1.02 115.31 122.42 3i5k h LEU 68 Ca 0.09 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3i5k h LEU 68 Cb 0.51 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3i5k h LEU 68 CO 0.02 0.60 0.22 0.50 -0.34 0.00 0.00 178.44 179.44 3i5k h LYS 69 N 1.02 0.42 -0.71 1.25 3.64 -1.20 -0.86 116.57 120.13 3i5k h LYS 69 Ca 0.32 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3i5k h LYS 69 Cb -0.00 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3i5k h LYS 69 CO -0.11 0.28 0.40 -0.44 -2.27 0.00 0.00 179.45 177.31 3i5k h ASP 70 N 0.43 0.87 -0.19 4.20 3.32 -1.15 -2.62 116.42 121.29 3i5k h ASP 70 Ca 0.20 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3i5k h ASP 70 Cb 0.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3i5k h ASP 70 CO -0.15 0.70 0.12 0.40 -1.72 0.00 0.00 179.24 178.59 3i5k h ILE 71 N 0.97 1.03 -0.80 0.35 5.03 -0.67 -1.62 117.51 121.80 3i5k h ILE 71 Ca 0.25 -0.08 -0.03 0.00 -0.12 0.00 0.00 64.86 64.88 3i5k h ILE 71 Cb 0.01 0.77 -0.04 0.00 -3.03 0.00 0.00 36.82 34.54 3i5k h ILE 71 CO -0.04 0.04 0.38 0.11 -0.68 0.00 0.00 178.15 177.96 3i5k h LYS 72 N 0.24 1.16 -0.67 2.37 1.57 -1.13 0.71 116.57 120.82 3i5k h LYS 72 Ca 0.07 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3i5k h LYS 72 Cb -0.02 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 3i5k h LYS 72 CO -0.03 0.90 0.29 1.25 -0.57 0.00 0.00 179.45 181.29 3i5k h LEU 73 N 1.15 0.91 -0.58 2.94 5.85 -1.33 -1.97 115.31 122.26 3i5k h LEU 73 Ca 0.28 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3i5k h LEU 73 Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3i5k h LEU 73 CO -0.03 0.81 0.15 0.00 -0.34 0.00 0.00 178.44 179.03 3i5k h ALA 74 N 1.13 0.77 -0.28 1.25 0.00 -0.81 -2.76 119.26 118.56 3i5k h ALA 74 Ca 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i5k h ALA 74 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i5k h ALA 74 CO -0.02 0.47 0.16 0.00 0.00 0.00 0.00 179.25 179.86 3i5k h ALA 75 N 1.03 1.77 0.00 0.00 0.00 -0.67 -2.60 119.26 118.79 3i5k h ALA 75 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i5k h ALA 75 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i5k h ALA 75 CO 0.00 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 3i5k n SER 76 N -4.48 0.12 0.07 0.00 3.41 -0.76 -1.49 113.62 110.48 3i5k n SER 76 Ca 0.01 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3i5k n SER 76 Cb 0.08 -0.56 0.39 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.64 0.19 -3.25 4.33 4.76 -0.98 -4.63 118.16 116.95 3i5k n LYS 77 Ca 0.01 0.13 -0.39 0.00 -2.87 0.00 0.00 58.31 55.19 3i5k n LYS 77 Cb 0.09 -1.69 -0.06 0.00 -1.84 0.00 0.00 35.03 31.54 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 -3.08 4.99 -0.14 -0.18 1.01 -0.56 -4.98 120.40 117.46 3i5k s VAL 78 Ca 0.11 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 3i5k s VAL 78 Cb 0.14 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3i5k s VAL 78 CO 0.62 0.40 -0.08 -0.44 0.00 0.00 0.00 175.10 175.60 3i5k s SER 79 N -0.03 4.48 0.09 3.32 0.01 -1.26 -0.29 113.70 120.02 3i5k s SER 79 Ca 0.30 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.38 3i5k s SER 79 Cb -0.17 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 3i5k s SER 79 CO 0.15 0.17 -0.09 0.00 0.41 0.00 0.00 173.24 173.89 3i5k s ALA 80 N 0.34 1.02 0.25 1.44 0.00 -0.47 -4.96 121.76 119.38 3i5k s ALA 80 Ca -0.07 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 50.77 3i5k s ALA 80 Cb -0.15 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3i5k s ALA 80 CO 0.04 -0.10 -0.12 -0.98 0.00 0.00 0.00 175.76 174.60 3i5k s ARG 81 N -3.03 1.48 0.46 0.00 1.70 -1.26 -4.30 118.95 114.00 3i5k s ARG 81 Ca 0.06 -1.70 -0.24 0.00 -0.47 0.00 0.00 55.73 53.38 3i5k s ARG 81 Cb -0.01 -1.25 -0.07 0.00 -0.57 0.00 0.00 34.95 33.05 3i5k s ARG 81 CO -0.01 0.15 1.28 -0.51 -1.08 0.00 0.00 175.30 175.12 3i5k s LEU 82 N -3.40 4.06 0.19 -1.89 1.43 -1.26 -4.53 118.68 113.27 3i5k s LEU 82 Ca 0.27 2.58 -0.22 0.00 -1.03 0.00 0.00 54.13 55.72 3i5k s LEU 82 Cb 0.00 -4.10 -0.08 0.00 0.03 0.00 0.00 46.19 42.04 3i5k s LEU 82 CO 0.10 -1.06 0.74 -0.76 0.23 0.00 0.00 176.35 175.60 3i5k s LEU 83 N -2.90 4.45 0.81 1.79 1.02 -0.13 -5.03 118.68 118.68 3i5k s LEU 83 Ca 0.63 1.50 -0.12 0.00 0.02 0.00 0.00 54.13 56.16 3i5k s LEU 83 Cb -0.36 -3.44 0.08 0.00 0.02 0.00 0.00 46.19 42.49 3i5k s LEU 83 CO 0.44 0.11 1.14 0.42 0.02 0.00 0.00 176.35 178.48 3i5k s THR 84 N -1.36 2.64 0.23 5.49 -4.23 -1.26 -4.63 115.64 112.52 3i5k s THR 84 Ca 0.39 0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 61.08 3i5k s THR 84 Cb -0.19 -2.56 0.19 0.00 1.34 0.00 0.00 72.50 71.27 3i5k s THR 84 CO 0.23 -0.25 1.74 0.25 -0.54 0.00 0.00 174.62 176.06 3i5k h LEU 85 N -1.15 0.30 -0.75 4.79 6.46 -1.97 -2.01 115.31 120.98 3i5k h LEU 85 Ca -0.44 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.41 3i5k h LEU 85 Cb 1.26 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.21 3i5k h LEU 85 CO 0.47 0.15 0.50 -0.08 -0.62 0.00 0.00 178.44 178.86 3i5k h GLU 86 N 0.47 0.98 -0.34 1.25 4.81 -1.99 -0.94 114.58 118.81 3i5k h GLU 86 Ca 0.37 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 3i5k h GLU 86 Cb 0.50 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3i5k h GLU 86 CO -0.35 0.65 0.08 0.93 -0.73 0.00 0.00 179.01 179.59 3i5k h GLU 87 N 1.01 0.55 -0.47 1.92 5.08 -1.80 -2.23 114.58 118.64 3i5k h GLU 87 Ca 0.27 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3i5k h GLU 87 Cb -0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3i5k h GLU 87 CO -0.06 0.61 0.26 0.00 -1.00 0.00 0.00 179.01 178.81 3i5k h ALA 88 N 0.92 0.60 -0.90 3.43 0.00 -1.18 -2.41 119.26 119.73 3i5k h ALA 88 Ca 0.11 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3i5k h ALA 88 Cb 0.30 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 3i5k h ALA 88 CO 0.00 0.13 0.54 0.00 0.00 0.00 0.00 179.25 179.92 3i5k h GLN 90 N 0.91 0.00 -0.00 0.00 1.08 -0.90 -2.37 115.11 113.83 3i5k h GLN 90 Ca 0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 3i5k h GLN 90 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3i5k h GLN 90 CO -0.24 0.00 -0.11 1.28 -0.95 0.00 0.00 178.83 178.81 3i5k n LEU 91 N -2.75 0.25 -4.67 1.46 4.77 -0.98 -4.81 117.00 110.27 3i5k n LEU 91 Ca 0.02 0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 3i5k n LEU 91 Cb 0.33 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3i5k n LEU 91 CO 0.26 0.05 1.09 -0.89 -1.33 0.00 0.00 177.39 176.58 3i5k s THR 92 N -2.69 4.08 0.47 -5.08 2.01 -0.89 0.00 115.64 113.54 3i5k s THR 92 Ca 0.23 1.37 -0.24 0.00 0.31 0.00 0.00 61.69 63.35 3i5k s THR 92 Cb 0.20 -3.88 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 3i5k s THR 92 CO 0.51 -0.07 1.37 -2.65 -0.69 0.00 0.00 174.62 173.10 3i5k n PRO 93 N 6.07 2.03 -0.32 4.92 -0.02 -1.26 -4.76 135.00 141.65 3i5k n PRO 93 Ca 0.13 0.73 0.28 0.00 -2.02 0.00 0.00 63.50 62.63 3i5k n PRO 93 Cb 0.45 -2.56 0.62 0.00 -0.02 0.00 0.00 33.50 31.98 3i5k n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3i5k h PRO 94 N 2.00 0.20 -0.21 0.52 0.11 -1.95 -2.25 132.00 130.43 3i5k h PRO 94 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i5k h PRO 94 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3i5k h PRO 94 CO 0.60 0.13 0.00 0.72 -0.21 0.00 0.00 178.00 179.24 3i5k n HIS 95 N -4.44 0.43 -1.44 0.65 8.25 -1.26 -4.33 115.22 113.08 3i5k n HIS 95 Ca 0.26 -0.66 -0.52 0.00 -0.26 0.00 0.00 57.72 56.54 3i5k n HIS 95 Cb 1.05 -0.12 -0.05 0.00 1.12 0.00 0.00 29.99 31.99 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 -0.21 -0.71 -4.65 0.41 2.88 -0.85 -4.77 113.62 105.72 3i5k n SER 96 Ca 0.12 1.14 -0.48 0.00 -1.33 0.00 0.00 58.87 58.33 3i5k n SER 96 Cb 0.54 -0.95 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 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 0.57 0.76 -1.05 -1.46 0.00 -1.26 -4.04 120.51 114.02 3i5k n ALA 97 Ca 0.18 0.45 -0.32 0.00 0.00 0.00 0.00 53.44 53.76 3i5k n ALA 97 Cb 0.19 -2.29 0.12 0.00 0.00 0.00 0.00 19.45 17.47 3i5k n ALA 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3i5k s ARG 98 N 1.03 1.73 0.46 0.00 1.70 -1.26 -4.45 118.95 118.15 3i5k s ARG 98 Ca 0.81 1.48 -0.21 0.00 -0.47 0.00 0.00 55.73 57.35 3i5k s ARG 98 Cb -0.75 -1.81 -0.10 0.00 -0.57 0.00 0.00 34.95 31.72 3i5k s ARG 98 CO 0.41 -2.09 0.99 0.45 -1.08 0.00 0.00 175.30 173.98 3i5k s SER 99 N -2.72 6.67 0.00 -2.89 0.15 0.80 -4.60 113.70 111.11 3i5k s SER 99 Ca 0.67 1.79 0.26 0.00 0.70 0.00 0.00 55.95 59.36 3i5k s SER 99 Cb -0.22 -2.55 1.36 0.00 -1.71 0.00 0.00 66.02 62.89 3i5k s SER 99 CO 0.53 -0.55 1.88 2.29 1.20 0.00 0.00 173.24 178.59 3i5k n LYS 100 N -0.81 0.47 -1.17 5.44 2.85 -1.26 -3.55 118.16 120.11 3i5k n LYS 100 Ca 0.08 0.04 -0.21 0.00 -1.05 0.00 0.00 58.31 57.16 3i5k n LYS 100 Cb 0.53 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.59 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 -1.22 2.71 -1.20 5.58 4.01 -1.26 -4.93 117.16 120.85 3i5k n TYR 101 Ca 0.14 -1.93 0.00 0.00 -0.16 0.00 0.00 57.90 55.95 3i5k n TYR 101 Cb 0.18 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 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 -1.12 0.66 3.29 2.72 0.00 -1.23 -5.00 105.19 104.52 3i5k n GLY 102 Ca 0.55 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.16 0.00 1.61 -0.12 -1.26 -4.98 117.98 111.07 3i5k s PHE 103 Ca 0.00 -0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.82 3i5k s PHE 103 Cb 0.00 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.57 3i5k s PHE 103 CO 0.00 -0.61 0.00 0.41 -0.05 0.00 0.00 175.22 174.97 3i5k n GLY 104 N 0.14 5.80 0.31 1.99 0.00 -1.26 -0.14 105.19 112.04 3i5k n GLY 104 Ca -0.17 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 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 1.23 -0.39 4.61 0.00 -1.83 -1.74 119.26 122.14 3i5k h ALA 105 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3i5k h ALA 105 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3i5k h ALA 105 CO 0.00 0.55 0.18 -0.22 0.00 0.00 0.00 179.25 179.76 3i5k h LYS 106 N 0.87 0.36 -0.07 0.00 1.63 -1.91 -0.45 116.57 117.01 3i5k h LYS 106 Ca 0.20 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.88 3i5k h LYS 106 Cb 0.22 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 3i5k h LYS 106 CO -0.01 0.24 -0.39 0.93 -3.45 0.00 0.00 179.45 176.77 3i5k h GLU 107 N 0.37 0.15 0.26 1.90 3.07 -1.87 -1.88 114.58 116.58 3i5k h GLU 107 Ca 0.17 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 3i5k h GLU 107 Cb 0.10 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3i5k h GLU 107 CO -0.13 0.52 -0.12 0.28 -1.40 0.00 0.00 179.01 178.15 3i5k h VAL 108 N 0.13 0.79 0.00 3.13 2.07 -0.81 -1.50 116.25 120.06 3i5k h VAL 108 Ca 0.01 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3i5k h VAL 108 Cb 0.75 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3i5k h VAL 108 CO 0.06 0.12 -0.12 0.03 0.02 0.00 0.00 177.57 177.68 3i5k h ARG 109 N -0.65 0.00 -0.62 1.57 3.08 -1.04 -1.45 114.38 115.27 3i5k h ARG 109 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3i5k h ARG 109 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3i5k h ARG 109 CO 0.06 0.12 0.00 -1.13 -1.07 0.00 0.00 179.97 177.95 3i5k n SER 110 N -3.77 3.35 -4.14 7.04 3.41 -0.71 -4.88 113.62 113.91 3i5k n SER 110 Ca -0.02 -2.02 -0.31 0.00 -0.26 0.00 0.00 58.87 56.26 3i5k n SER 110 Cb 0.22 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 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 1.30 -1.76 -4.74 1.04 4.77 -0.55 -4.92 117.00 112.14 3i5k n LEU 111 Ca 0.21 -1.07 -0.34 0.00 -0.03 0.00 0.00 56.01 54.78 3i5k n LEU 111 Cb 0.53 -2.04 0.07 0.00 -2.33 0.00 0.00 43.42 39.65 3i5k n LEU 111 CO 0.14 0.37 0.80 -0.94 -1.33 0.00 0.00 177.39 176.43 3i5k s SER 112 N -3.92 4.64 0.19 -1.43 1.04 -0.59 -4.77 113.70 108.85 3i5k s SER 112 Ca 0.32 2.29 -0.12 0.00 0.48 0.00 0.00 55.95 58.92 3i5k s SER 112 Cb -0.17 -2.58 0.15 0.00 0.10 0.00 0.00 66.02 63.51 3i5k s SER 112 CO 0.93 -1.96 1.80 1.23 0.98 0.00 0.00 173.24 176.22 3i5k h GLY 113 N 0.08 0.79 0.99 7.32 0.00 -1.91 -1.11 103.07 109.23 3i5k h GLY 113 Ca -0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 3i5k h GLY 113 CO 0.52 0.16 0.35 -0.09 0.00 0.00 0.00 176.54 177.47 3i5k h ARG 114 N 0.60 0.80 0.29 4.80 2.43 -1.96 0.15 114.38 121.49 3i5k h ARG 114 Ca 0.24 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3i5k h ARG 114 Cb 0.10 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3i5k h ARG 114 CO -0.14 0.58 -0.14 0.00 -1.51 0.00 0.00 179.97 178.76 3i5k h ALA 115 N 1.17 -0.39 -0.45 2.80 0.00 -1.79 -2.08 119.26 118.52 3i5k h ALA 115 Ca 0.21 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3i5k h ALA 115 Cb -0.01 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3i5k h ALA 115 CO -0.04 -0.64 0.22 0.28 0.00 0.00 0.00 179.25 179.08 3i5k h VAL 116 N -0.55 0.96 -0.71 0.00 2.07 -1.09 -1.33 116.25 115.60 3i5k h VAL 116 Ca -0.04 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3i5k h VAL 116 Cb 0.41 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3i5k h VAL 116 CO 0.07 0.08 0.22 0.78 0.02 0.00 0.00 177.57 178.74 3i5k h ASN 117 N 0.45 1.02 -0.32 0.57 2.35 -0.71 -1.94 115.58 116.99 3i5k h ASN 117 Ca 0.20 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3i5k h ASN 117 Cb 0.11 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3i5k h ASN 117 CO -0.14 0.95 -0.22 -0.74 -1.65 0.00 0.00 177.43 175.63 3i5k h HIS 118 N 1.05 0.84 -0.55 1.19 2.76 -1.11 -2.83 115.15 116.49 3i5k h HIS 118 Ca 0.23 -0.23 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3i5k h HIS 118 Cb 0.29 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 3i5k h HIS 118 CO 0.02 0.96 0.25 0.82 -1.30 0.00 0.00 177.93 178.68 3i5k h ILE 119 N 0.49 1.19 -0.66 6.26 2.04 -1.14 -0.68 117.51 125.01 3i5k h ILE 119 Ca 0.06 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 3i5k h ILE 119 Cb 0.77 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3i5k h ILE 119 CO 0.06 0.23 0.15 0.11 0.00 0.00 0.00 178.15 178.70 3i5k h LYS 120 N 0.78 1.05 0.00 2.37 1.57 -1.28 -1.25 116.57 119.81 3i5k h LYS 120 Ca 0.19 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3i5k h LYS 120 Cb 0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3i5k h LYS 120 CO -0.02 0.93 -0.58 0.66 -0.57 0.00 0.00 179.45 179.87 3i5k h SER 121 N 1.00 0.00 -0.28 0.86 4.64 -1.17 -1.23 113.55 117.36 3i5k h SER 121 Ca 0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 3i5k h SER 121 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3i5k h SER 121 CO 0.00 0.58 0.00 0.58 -0.87 0.00 0.00 176.83 177.12 3i5k h VAL 122 N 0.00 1.26 0.02 0.95 2.07 -0.95 -1.93 116.25 117.68 3i5k h VAL 122 Ca -0.01 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 3i5k h VAL 122 Cb 1.35 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3i5k h VAL 122 CO 0.07 0.30 -0.01 -0.25 0.02 0.00 0.00 177.57 177.70 3i5k h TRP 123 N 0.29 -0.03 -0.83 1.57 2.91 -1.17 -1.64 115.95 117.05 3i5k h TRP 123 Ca 0.08 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.19 3i5k h TRP 123 Cb 0.43 0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 29.02 3i5k h TRP 123 CO 0.04 0.01 0.48 -0.22 -1.03 0.00 0.00 178.44 177.72 3i5k h LYS 124 N -0.06 0.80 -0.38 2.65 3.64 -1.25 -1.57 116.57 120.40 3i5k h LYS 124 Ca -0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3i5k h LYS 124 Cb 0.05 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3i5k h LYS 124 CO 0.01 0.53 -0.01 0.22 -2.27 0.00 0.00 179.45 177.92 3i5k h ASP 125 N 0.82 0.57 -0.72 4.20 3.58 -1.15 -1.95 116.42 121.78 3i5k h ASP 125 Ca 0.39 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.69 3i5k h ASP 125 Cb 0.32 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3i5k h ASP 125 CO -0.23 0.65 0.34 -0.07 -2.88 0.00 0.00 179.24 177.05 3i5k h LEU 126 N 0.57 0.96 -0.86 2.28 3.38 -0.36 0.48 115.31 121.76 3i5k h LEU 126 Ca 0.12 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3i5k h LEU 126 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3i5k h LEU 126 CO 0.01 0.82 -0.47 -0.07 0.09 0.00 0.00 178.44 178.83 3i5k h LEU 127 N 1.05 0.00 0.00 1.67 3.38 -0.84 -3.32 115.31 117.26 3i5k h LEU 127 Ca 0.25 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.99 3i5k h LEU 127 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3i5k h LEU 127 CO -0.03 0.47 -2.02 1.21 0.09 0.00 0.00 178.44 178.16 3i5k n GLU 128 N -3.64 0.66 -3.94 1.13 2.13 -0.78 -4.84 120.64 111.36 3i5k n GLU 128 Ca -0.01 0.03 -0.31 0.00 0.66 0.00 0.00 57.16 57.54 3i5k n GLU 128 Cb 0.55 -1.61 -0.15 0.00 0.27 0.00 0.00 31.44 30.50 3i5k n GLU 128 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3i5k s ASP 129 N -5.40 4.17 -0.03 4.31 2.15 0.13 -4.98 116.67 117.02 3i5k s ASP 129 Ca -0.07 -1.50 0.15 0.00 0.43 0.00 0.00 52.55 51.55 3i5k s ASP 129 Cb 0.08 -1.28 0.48 0.00 -0.30 0.00 0.00 42.92 41.90 3i5k s ASP 129 CO 0.84 -0.29 1.38 -0.81 -0.17 0.00 0.00 175.17 176.12 3i5k n PRO 130 N 4.57 2.49 -0.01 4.34 -0.04 -1.26 -4.61 135.00 140.48 3i5k n PRO 130 Ca -0.07 -1.92 -0.04 0.00 -0.04 0.00 0.00 63.50 61.44 3i5k n PRO 130 Cb 0.43 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.89 0.10 -1.90 0.54 -0.06 -1.26 -4.51 117.38 111.17 3i5k n GLN 131 Ca 0.18 0.04 -0.42 0.00 -2.00 0.00 0.00 57.00 54.79 3i5k n GLN 131 Cb 0.53 -0.66 -0.03 0.00 -4.06 0.00 0.00 30.24 26.02 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 -2.11 3.41 0.31 1.69 2.01 -1.26 -4.70 115.64 114.99 3i5k s THR 132 Ca -0.06 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.14 3i5k s THR 132 Cb 0.02 -3.33 -0.13 0.00 0.01 0.00 0.00 72.50 69.07 3i5k s THR 132 CO 0.08 -0.06 1.33 -2.65 -0.69 0.00 0.00 174.62 172.63 3i5k n PRO 133 N 7.34 2.11 -3.29 4.92 -0.02 -1.26 -4.73 135.00 140.07 3i5k n PRO 133 Ca 0.19 0.74 -0.38 0.00 -2.02 0.00 0.00 63.50 62.03 3i5k n PRO 133 Cb 0.43 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 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 -0.73 5.16 0.56 4.25 1.01 0.02 -4.96 121.20 126.51 3i5k s ILE 134 Ca 0.60 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.99 3i5k s ILE 134 Cb -0.59 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 3i5k s ILE 134 CO 0.58 0.27 1.23 -2.16 0.00 0.00 0.00 174.94 174.86 3i5k s PRO 135 N 1.04 3.12 0.22 2.79 0.04 -1.26 -4.49 135.00 136.46 3i5k s PRO 135 Ca 0.25 1.91 0.06 0.00 0.04 0.00 0.00 61.00 63.26 3i5k s PRO 135 Cb -0.15 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3i5k s PRO 135 CO 0.10 -1.11 -0.08 0.95 0.04 0.00 0.00 177.00 176.90 3i5k s THR 136 N -1.52 1.44 -0.10 1.26 -4.23 -0.92 -4.43 115.64 107.15 3i5k s THR 136 Ca 0.74 -2.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3i5k s THR 136 Cb -0.32 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 3i5k s THR 136 CO 0.36 -0.48 0.00 -0.89 -0.54 0.00 0.00 174.62 173.07 3i5k s THR 137 N -3.15 4.30 -0.17 3.99 2.01 -0.04 -0.90 115.64 121.69 3i5k s THR 137 Ca 0.25 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 3i5k s THR 137 Cb 0.03 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 3i5k s THR 137 CO 0.07 0.59 -0.00 -0.51 -0.69 0.00 0.00 174.62 174.08 3i5k s ILE 138 N -0.71 4.19 0.04 1.82 2.07 -0.37 -1.58 121.20 126.65 3i5k s ILE 138 Ca 0.11 -0.25 0.04 0.00 -1.41 0.00 0.00 60.65 59.14 3i5k s ILE 138 Cb -0.12 -2.86 -0.02 0.00 0.13 0.00 0.00 42.46 39.60 3i5k s ILE 138 CO 0.02 0.48 -0.12 -0.04 -1.91 0.00 0.00 174.94 173.37 3i5k s MET 139 N 0.40 0.81 -0.14 3.50 -1.94 0.02 -4.45 119.30 117.51 3i5k s MET 139 Ca -0.02 -0.75 -0.29 0.00 -1.71 0.00 0.00 55.69 52.93 3i5k s MET 139 Cb -0.14 -0.78 -0.01 0.00 2.01 0.00 0.00 34.83 35.91 3i5k s MET 139 CO 0.02 0.19 0.98 0.00 -0.01 0.00 0.00 175.02 176.19 3i5k s ALA 140 N -0.96 3.47 0.28 3.03 0.00 -1.26 -0.27 121.76 126.05 3i5k s ALA 140 Ca -0.01 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 3i5k s ALA 140 Cb -0.08 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 3i5k s ALA 140 CO 0.01 -0.68 1.22 0.21 0.00 0.00 0.00 175.76 176.52 3i5k s LYS 141 N 2.22 4.48 -0.62 0.00 2.20 0.88 -4.69 119.74 124.21 3i5k s LYS 141 Ca 0.46 2.00 -0.14 0.00 -0.36 0.00 0.00 55.97 57.93 3i5k s LYS 141 Cb -0.17 -3.15 0.16 0.00 -1.51 0.00 0.00 37.83 33.15 3i5k s LYS 141 CO 0.15 -0.04 0.56 -0.80 -0.36 0.00 0.00 175.35 174.86 3i5k s ASN 142 N -0.45 6.27 0.12 1.43 -0.87 -1.26 -4.36 114.94 115.82 3i5k s ASN 142 Ca 0.49 -2.12 0.09 0.00 -1.57 0.00 0.00 52.86 49.75 3i5k s ASN 142 Cb -0.36 -2.17 -0.04 0.00 -0.02 0.00 0.00 41.25 38.67 3i5k s ASN 142 CO 0.45 -0.73 -0.23 -1.61 -2.57 0.00 0.00 177.10 172.41 3i5k s GLU 143 N 1.07 1.24 -0.15 -0.60 2.02 -1.25 -4.87 118.70 116.15 3i5k s GLU 143 Ca 0.08 -1.26 -0.07 0.00 0.02 0.00 0.00 54.97 53.74 3i5k s GLU 143 Cb -0.23 -1.57 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 3i5k s GLU 143 CO -0.01 0.36 0.09 0.08 0.02 0.00 0.00 175.26 175.80 3i5k s VAL 144 N -1.23 5.06 0.21 2.63 1.01 -1.26 -0.67 120.40 126.15 3i5k s VAL 144 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3i5k s VAL 144 Cb -0.10 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3i5k s VAL 144 CO 0.05 0.52 0.08 -0.36 0.00 0.00 0.00 175.10 175.40 3i5k s PHE 145 N -0.20 1.28 -0.08 5.22 0.08 -0.17 -4.73 117.98 119.38 3i5k s PHE 145 Ca 0.09 -1.22 -0.08 0.00 0.12 0.00 0.00 56.93 55.84 3i5k s PHE 145 Cb -0.12 -0.71 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 3i5k s PHE 145 CO 0.01 -0.42 0.21 0.00 -0.10 0.00 0.00 175.22 174.92 3i5k s VAL 147 N -1.09 2.19 -0.35 0.00 -7.23 0.70 -4.97 120.40 109.66 3i5k s VAL 147 Ca 0.19 0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.49 3i5k s VAL 147 Cb -0.13 -3.06 0.12 0.00 0.56 0.00 0.00 36.38 33.87 3i5k s VAL 147 CO 0.08 -0.01 0.17 -0.62 -0.31 0.00 0.00 175.10 174.40 3i5k s ASP 148 N -1.18 3.55 0.47 4.85 2.15 -0.98 -5.00 116.67 120.53 3i5k s ASP 148 Ca 0.75 -1.95 0.22 0.00 0.43 0.00 0.00 52.55 52.00 3i5k s ASP 148 Cb -0.38 -0.67 1.19 0.00 -0.30 0.00 0.00 42.92 42.76 3i5k s ASP 148 CO 0.43 -0.36 2.00 -0.65 -0.17 0.00 0.00 175.17 176.42 3i5k h PRO 149 N 7.54 0.00 -0.66 4.34 0.11 -1.94 -0.32 132.00 141.07 3i5k h PRO 149 Ca -0.07 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.10 3i5k h PRO 149 Cb 0.98 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 3i5k h PRO 149 CO 0.41 0.19 0.44 0.00 -0.21 0.00 0.00 178.00 178.82 3i5k h ALA 150 N 1.81 1.71 -0.63 -0.75 0.00 -1.95 -2.79 119.26 116.66 3i5k h ALA 150 Ca -0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 3i5k h ALA 150 Cb 0.41 -0.19 -0.17 0.00 0.00 0.00 0.00 17.79 17.84 3i5k h ALA 150 CO 0.02 0.20 0.23 1.63 0.00 0.00 0.00 179.25 181.34 3i5k n LYS 151 N -4.47 2.33 -0.80 0.00 5.02 -0.24 -4.95 118.16 115.06 3i5k n LYS 151 Ca 0.09 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 3i5k n LYS 151 Cb 0.19 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 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 -0.95 0.77 7.00 0.72 0.00 -1.05 -4.79 105.19 106.89 3i5k n GLY 152 Ca 0.43 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.04 1.93 3.58 -0.02 0.00 -0.58 -4.88 105.19 103.17 3i5k n GLY 153 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 3.07 0.19 1.61 1.02 -1.26 -2.33 119.74 122.05 3i5k s LYS 154 Ca 0.00 -0.51 -0.29 0.00 0.02 0.00 0.00 55.97 55.19 3i5k s LYS 154 Cb 0.00 -2.73 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 3i5k s LYS 154 CO 0.00 0.55 0.91 0.15 -0.92 0.00 0.00 175.35 176.04 3i5k s LYS 155 N -0.48 4.76 0.58 1.68 1.02 -1.26 -5.05 119.74 120.99 3i5k s LYS 155 Ca 0.08 1.41 -0.18 0.00 0.02 0.00 0.00 55.97 57.30 3i5k s LYS 155 Cb -0.12 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 3i5k s LYS 155 CO 0.02 0.44 1.11 -1.25 -0.92 0.00 0.00 175.35 174.76 3i5k s PRO 156 N -0.83 3.18 0.27 -1.68 0.04 -1.26 -4.83 135.00 129.89 3i5k s PRO 156 Ca 0.42 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 3i5k s PRO 156 Cb -0.25 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.17 3i5k s PRO 156 CO 0.30 -0.97 1.24 0.00 0.04 0.00 0.00 177.00 177.62 3i5k n ALA 157 N -1.72 0.58 -1.65 8.56 0.00 -1.26 -4.95 120.51 120.08 3i5k n ALA 157 Ca 0.11 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.61 3i5k n ALA 157 Cb 0.51 -2.17 0.02 0.00 0.00 0.00 0.00 19.45 17.81 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 -1.10 3.18 -0.16 0.00 0.52 -1.26 -4.68 118.95 115.45 3i5k s ARG 158 Ca 0.63 1.42 -0.04 0.00 -0.52 0.00 0.00 55.73 57.21 3i5k s ARG 158 Cb -0.67 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 3i5k s ARG 158 CO 0.56 -0.95 -0.01 -0.51 0.02 0.00 0.00 175.30 174.41 3i5k s LEU 159 N -4.32 3.38 -0.17 2.53 1.43 -1.26 -0.08 118.68 120.20 3i5k s LEU 159 Ca 0.68 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 3i5k s LEU 159 Cb -0.20 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3i5k s LEU 159 CO 0.34 0.17 -0.04 -0.51 0.23 0.00 0.00 176.35 176.54 3i5k s ILE 160 N 0.34 3.80 -0.19 -0.59 1.10 0.63 -4.81 121.20 121.48 3i5k s ILE 160 Ca -0.02 -0.38 0.01 0.00 -0.51 0.00 0.00 60.65 59.75 3i5k s ILE 160 Cb -0.14 -2.68 0.03 0.00 0.15 0.00 0.00 42.46 39.82 3i5k s ILE 160 CO 0.02 0.48 -0.18 -0.69 -2.11 0.00 0.00 174.94 172.46 3i5k s VAL 161 N 0.54 2.05 -0.01 4.00 1.01 -1.26 -0.80 120.40 125.94 3i5k s VAL 161 Ca -0.03 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 3i5k s VAL 161 Cb -0.14 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.35 3i5k s VAL 161 CO 0.03 0.46 0.23 -0.72 0.00 0.00 0.00 175.10 175.10 3i5k s TYR 162 N 1.27 -0.08 0.85 5.22 -0.85 -0.62 -0.50 117.35 122.64 3i5k s TYR 162 Ca 0.03 0.08 -0.07 0.00 -0.52 0.00 0.00 57.07 56.59 3i5k s TYR 162 Cb -0.14 0.03 0.17 0.00 0.38 0.00 0.00 41.96 42.41 3i5k s TYR 162 CO -0.12 -0.35 1.16 -1.25 -1.52 0.00 0.00 175.55 173.47 3i5k s PRO 163 N -1.37 1.07 0.58 -3.49 0.04 -1.26 -0.86 135.00 129.71 3i5k s PRO 163 Ca -0.14 -0.90 -0.19 0.00 0.04 0.00 0.00 61.00 59.80 3i5k s PRO 163 Cb -0.06 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3i5k s PRO 163 CO 0.03 -1.97 1.23 0.34 0.04 0.00 0.00 177.00 176.67 3i5k s ASP 164 N -4.85 5.24 0.31 6.66 2.15 -1.26 -4.77 116.67 120.13 3i5k s ASP 164 Ca 0.71 2.45 0.03 0.00 0.43 0.00 0.00 52.55 56.17 3i5k s ASP 164 Cb -0.04 -2.61 0.78 0.00 -0.30 0.00 0.00 42.92 40.76 3i5k s ASP 164 CO 0.49 -1.57 1.59 0.25 -0.17 0.00 0.00 175.17 175.76 3i5k h LEU 165 N 1.04 -0.34 -0.37 -1.34 5.85 -1.81 -0.31 115.31 118.02 3i5k h LEU 165 Ca -0.50 0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.55 3i5k h LEU 165 Cb 1.30 0.43 -0.07 0.00 0.37 0.00 0.00 40.66 42.69 3i5k h LEU 165 CO 0.56 -0.33 -0.06 1.23 -0.34 0.00 0.00 178.44 179.50 3i5k h GLY 166 N 0.04 0.30 0.99 3.75 0.00 -1.94 -1.95 103.07 104.26 3i5k h GLY 166 Ca 0.61 0.10 0.01 0.00 0.00 0.00 0.00 47.33 48.04 3i5k h GLY 166 CO -0.86 -0.13 0.54 -2.08 0.00 0.00 0.00 176.54 174.01 3i5k h VAL 167 N 0.03 1.20 -0.44 4.60 2.07 -1.44 -2.96 116.25 119.32 3i5k h VAL 167 Ca 0.18 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3i5k h VAL 167 Cb 0.27 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3i5k h VAL 167 CO -0.36 0.20 0.19 0.03 0.02 0.00 0.00 177.57 177.65 3i5k h ARG 168 N 1.09 0.61 -0.45 1.57 3.08 -0.75 -1.14 114.38 118.39 3i5k h ARG 168 Ca 0.30 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.15 3i5k h ARG 168 Cb -0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3i5k h ARG 168 CO -0.07 0.50 -0.20 0.28 -1.07 0.00 0.00 179.97 179.40 3i5k h VAL 169 N 0.61 1.27 -0.62 2.04 2.07 -1.22 -3.04 116.25 117.36 3i5k h VAL 169 Ca 0.15 -1.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 3i5k h VAL 169 Cb 0.10 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3i5k h VAL 169 CO -0.02 0.46 0.06 0.00 0.02 0.00 0.00 177.57 178.09 3i5k h GLU 171 N 0.96 0.16 -0.63 0.00 5.08 -1.19 -1.72 114.58 117.25 3i5k h GLU 171 Ca 0.18 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3i5k h GLU 171 Cb 0.49 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3i5k h GLU 171 CO 0.02 0.11 0.41 0.87 -1.00 0.00 0.00 179.01 179.42 3i5k h LYS 172 N 0.17 0.83 -0.71 2.33 1.57 -1.38 0.95 116.57 120.33 3i5k h LYS 172 Ca 0.29 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 3i5k h LYS 172 Cb 0.44 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 3i5k h LYS 172 CO -0.43 0.55 0.43 0.52 -0.57 0.00 0.00 179.45 179.95 3i5k h MET 173 N 0.85 0.79 0.13 3.15 2.86 -1.06 -0.68 114.93 120.97 3i5k h MET 173 Ca 0.23 -0.05 -0.28 0.00 -2.06 0.00 0.00 59.70 57.54 3i5k h MET 173 Cb -0.10 -0.18 0.03 0.00 0.06 0.00 0.00 31.60 31.41 3i5k h MET 173 CO -0.05 0.53 -1.17 0.00 1.06 0.00 0.00 176.91 177.28 3i5k h ALA 174 N 1.33 -0.03 0.00 6.32 0.00 -0.95 -0.32 119.26 125.61 3i5k h ALA 174 Ca 0.30 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i5k h ALA 174 Cb 0.10 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i5k h ALA 174 CO -0.14 0.62 -0.07 1.28 0.00 0.00 0.00 179.25 180.94 3i5k n LEU 175 N -3.86 0.00 -0.11 0.00 4.77 0.30 -4.77 117.00 113.32 3i5k n LEU 175 Ca -0.14 -0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 55.41 3i5k n LEU 175 Cb 0.96 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.04 3i5k n LEU 175 CO 0.57 0.00 0.97 0.22 -1.33 0.00 0.00 177.39 177.82 3i5k h TYR 176 N 0.00 0.49 -0.19 -1.77 3.20 -1.23 -1.99 116.97 115.48 3i5k h TYR 176 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3i5k h TYR 176 Cb 0.00 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3i5k h TYR 176 CO 0.00 0.38 -0.02 0.22 -1.64 0.00 0.00 178.16 177.10 3i5k h ASP 177 N 0.46 0.26 -0.78 -2.11 3.58 -1.80 -0.94 116.42 115.09 3i5k h ASP 177 Ca 0.13 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 3i5k h ASP 177 Cb 0.05 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 3i5k h ASP 177 CO -0.02 0.33 0.46 0.40 -2.88 0.00 0.00 179.24 177.53 3i5k h ILE 178 N 0.28 1.22 0.00 2.25 2.04 -1.68 -2.55 117.51 119.06 3i5k h ILE 178 Ca 0.06 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3i5k h ILE 178 Cb 0.23 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3i5k h ILE 178 CO 0.01 0.23 -0.02 0.71 0.00 0.00 0.00 178.15 179.08 3i5k h THR 179 N 1.07 0.12 0.00 -0.27 1.35 -0.54 0.88 112.91 115.52 3i5k h THR 179 Ca 0.28 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3i5k h THR 179 Cb -0.02 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3i5k h THR 179 CO -0.05 0.02 -0.26 1.56 -0.25 0.00 0.00 175.52 176.54 3i5k h GLN 180 N 0.00 0.00 0.00 4.72 1.08 -1.27 -3.42 115.11 116.23 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 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3i5k h GLN 180 CO 0.00 0.00 -0.56 1.63 -0.95 0.00 0.00 178.83 178.95 3i5k n LYS 181 N -2.84 0.66 -0.08 1.46 5.02 -0.94 -4.90 118.16 116.53 3i5k n LYS 181 Ca 0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 3i5k n LYS 181 Cb 0.52 -0.78 -0.05 0.00 -0.02 0.00 0.00 35.03 34.70 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 0.41 -1.01 -0.35 5.85 -1.08 -2.69 115.31 116.44 3i5k h LEU 182 Ca 0.00 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 3i5k h LEU 182 Cb 0.56 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3i5k h LEU 182 CO 0.00 0.65 -0.12 -0.65 -0.34 0.00 0.00 178.44 177.97 3i5k h PRO 183 N 0.16 0.57 -0.60 5.25 0.11 -1.82 -1.41 132.00 134.25 3i5k h PRO 183 Ca 0.06 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 3i5k h PRO 183 Cb 0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 3i5k h PRO 183 CO 0.02 0.68 0.31 1.96 -0.21 0.00 0.00 178.00 180.77 3i5k h GLN 184 N 0.53 0.84 -0.57 1.05 7.50 -1.83 -1.30 115.11 121.32 3i5k h GLN 184 Ca 0.09 -0.09 -0.11 0.00 0.50 0.00 0.00 58.65 59.04 3i5k h GLN 184 Cb 0.52 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.87 3i5k h GLN 184 CO 0.03 0.63 -0.08 0.00 -1.50 0.00 0.00 178.83 177.91 3i5k h ALA 185 N 1.50 0.78 0.01 3.87 0.00 -0.94 0.15 119.26 124.63 3i5k h ALA 185 Ca 0.21 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 3i5k h ALA 185 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3i5k h ALA 185 CO -0.03 0.68 -1.47 -0.39 0.00 0.00 0.00 179.25 178.03 3i5k h VAL 186 N 0.94 1.15 0.00 0.00 -1.51 -1.12 -3.41 116.25 112.31 3i5k h VAL 186 Ca 0.15 -2.94 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 3i5k h VAL 186 Cb 0.65 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 32.40 3i5k h VAL 186 CO 0.05 0.68 0.00 1.15 -1.23 0.00 0.00 177.57 178.22 3i5k n MET 187 N -3.19 0.51 0.00 5.19 0.00 -0.51 -4.90 117.12 114.22 3i5k n MET 187 Ca -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 57.70 56.99 3i5k n MET 187 Cb 1.01 -0.70 0.00 0.00 0.00 0.00 0.00 33.22 33.53 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 -0.11 2.65 0.18 3.17 0.00 0.52 -1.56 105.19 110.03 3i5k n GLY 188 Ca 0.00 0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3i5k n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k h ALA 189 N -0.23 1.00 0.00 4.61 0.00 -1.94 -2.37 119.26 120.33 3i5k h ALA 189 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i5k h ALA 189 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i5k h ALA 189 CO 0.00 0.00 -0.02 0.77 0.00 0.00 0.00 179.25 180.00 3i5k h SER 190 N 0.00 0.00 -3.27 0.00 0.02 -1.46 -3.44 113.55 105.40 3i5k h SER 190 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3i5k h SER 190 Cb 0.14 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 3i5k h SER 190 CO 0.00 0.02 1.05 -0.47 -1.14 0.00 0.00 176.83 176.30 3i5k s TYR 191 N -3.59 2.45 -0.08 3.45 5.04 -0.89 -0.18 117.35 123.54 3i5k s TYR 191 Ca 0.02 0.70 0.13 0.00 -2.44 0.00 0.00 57.07 55.48 3i5k s TYR 191 Cb 0.08 -4.25 0.01 0.00 0.35 0.00 0.00 41.96 38.15 3i5k s TYR 191 CO 0.57 -1.94 1.41 0.78 -1.34 0.00 0.00 175.55 175.04 3i5k h GLY 192 N 11.98 0.00 2.00 8.97 0.00 -1.34 -3.31 103.07 121.37 3i5k h GLY 192 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3i5k h GLY 192 CO 1.08 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.31 3i5k n PHE 193 N -3.26 0.31 1.08 5.60 3.72 -1.26 -2.40 117.46 121.24 3i5k n PHE 193 Ca 0.01 0.12 0.14 0.00 -0.05 0.00 0.00 57.45 57.68 3i5k n PHE 193 Cb 0.78 -0.70 0.60 0.00 -0.94 0.00 0.00 39.48 39.22 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 -1.78 0.09 -4.09 -1.08 10.64 -1.25 -2.95 117.38 116.96 3i5k n GLN 194 Ca 0.03 -0.01 -0.36 0.00 -1.83 0.00 0.00 57.00 54.83 3i5k n GLN 194 Cb 0.18 -1.50 -0.08 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 -2.92 3.38 0.85 2.61 2.02 -1.01 -4.35 117.35 117.93 3i5k s TYR 195 Ca 0.16 0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 57.09 3i5k s TYR 195 Cb 0.19 -1.90 0.10 0.00 -0.40 0.00 0.00 41.96 39.95 3i5k s TYR 195 CO 0.54 0.55 1.09 -1.54 -1.57 0.00 0.00 175.55 174.62 3i5k s SER 196 N -0.76 3.83 0.25 2.29 1.04 -1.26 -4.78 113.70 114.32 3i5k s SER 196 Ca 0.13 1.68 -0.05 0.00 0.48 0.00 0.00 55.95 58.19 3i5k s SER 196 Cb -0.12 -2.35 0.48 0.00 0.10 0.00 0.00 66.02 64.13 3i5k s SER 196 CO 0.03 -2.44 1.64 -0.65 0.98 0.00 0.00 173.24 172.80 3i5k h PRO 197 N -1.41 0.13 -0.01 4.02 0.11 -1.91 -0.32 132.00 132.60 3i5k h PRO 197 Ca -0.47 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3i5k h PRO 197 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3i5k h PRO 197 CO 0.52 0.09 -0.33 0.00 -0.21 0.00 0.00 178.00 178.07 3i5k h ALA 198 N 1.71 1.43 -0.05 -0.75 0.00 -1.93 -1.42 119.26 118.24 3i5k h ALA 198 Ca 0.44 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 3i5k h ALA 198 Cb 0.79 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3i5k h ALA 198 CO -0.65 0.43 -0.78 1.96 0.00 0.00 0.00 179.25 180.21 3i5k h GLN 199 N 0.02 0.38 -0.61 0.00 4.20 -1.55 -1.23 115.11 116.32 3i5k h GLN 199 Ca -0.00 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 3i5k h GLN 199 Cb 0.60 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 3i5k h GLN 199 CO 0.04 0.99 0.10 -0.09 -0.67 0.00 0.00 178.83 179.20 3i5k h ARG 200 N 0.25 1.01 -0.48 1.46 2.43 -0.70 -0.88 114.38 117.46 3i5k h ARG 200 Ca -0.04 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3i5k h ARG 200 Cb 1.37 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3i5k h ARG 200 CO 0.13 0.95 0.28 0.28 -1.51 0.00 0.00 179.97 180.10 3i5k h VAL 201 N 0.92 1.16 -0.68 0.20 2.07 -1.21 -1.37 116.25 117.33 3i5k h VAL 201 Ca 0.19 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3i5k h VAL 201 Cb 0.43 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3i5k h VAL 201 CO 0.01 0.16 0.39 -0.08 0.02 0.00 0.00 177.57 178.08 3i5k h GLU 202 N 0.64 0.95 -0.24 1.57 4.81 -0.97 -1.49 114.58 119.84 3i5k h GLU 202 Ca 0.17 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3i5k h GLU 202 Cb 0.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3i5k h GLU 202 CO -0.03 0.70 -0.00 -0.92 -0.73 0.00 0.00 179.01 178.02 3i5k h TYR 203 N 0.94 0.47 -0.55 0.92 3.20 -1.04 -1.63 116.97 119.28 3i5k h TYR 203 Ca 0.24 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3i5k h TYR 203 Cb 0.01 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3i5k h TYR 203 CO -0.01 0.60 0.10 -0.07 -1.64 0.00 0.00 178.16 177.14 3i5k h LEU 204 N 0.21 0.87 -0.40 2.82 3.38 -1.16 -0.28 115.31 120.75 3i5k h LEU 204 Ca 0.07 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3i5k h LEU 204 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3i5k h LEU 204 CO 0.01 0.90 0.26 -0.07 0.09 0.00 0.00 178.44 179.64 3i5k h LEU 205 N 0.80 0.45 -0.07 1.67 3.38 -1.27 -1.68 115.31 118.59 3i5k h LEU 205 Ca 0.17 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3i5k h LEU 205 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3i5k h LEU 205 CO 0.01 0.33 -0.01 0.50 0.09 0.00 0.00 178.44 179.35 3i5k h LYS 206 N 0.53 0.01 -0.54 1.13 3.64 -1.16 0.16 116.57 120.34 3i5k h LYS 206 Ca 0.15 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 3i5k h LYS 206 Cb -0.06 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 3i5k h LYS 206 CO -0.04 0.00 0.16 0.00 -2.27 0.00 0.00 179.45 177.31 3i5k h ALA 207 N 1.07 0.66 -0.33 5.00 0.00 -0.96 -1.81 119.26 122.88 3i5k h ALA 207 Ca 0.03 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3i5k h ALA 207 Cb 0.05 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i5k h ALA 207 CO -0.07 -0.25 -0.21 2.35 0.00 0.00 0.00 179.25 181.07 3i5k h TRP 208 N 0.32 0.85 0.00 0.00 2.91 -1.12 -3.19 115.95 115.72 3i5k h TRP 208 Ca 0.27 -0.23 -0.06 0.00 1.13 0.00 0.00 58.89 60.00 3i5k h TRP 208 Cb 0.34 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 3i5k h TRP 208 CO -0.19 0.96 -0.30 0.00 -1.03 0.00 0.00 178.44 177.87 3i5k h ALA 209 N 0.76 1.04 0.00 2.65 0.00 -0.70 -3.01 119.26 120.00 3i5k h ALA 209 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i5k h ALA 209 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i5k h ALA 209 CO 0.06 0.38 0.00 -0.85 0.00 0.00 0.00 179.25 178.84 3i5k n GLU 210 N -3.51 0.11 -3.32 0.00 0.28 -0.70 -4.79 120.64 108.70 3i5k n GLU 210 Ca -0.00 0.09 -0.38 0.00 -0.16 0.00 0.00 57.16 56.71 3i5k n GLU 210 Cb 0.46 -1.62 -0.06 0.00 1.43 0.00 0.00 31.44 31.64 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 -3.04 4.11 0.21 3.44 -0.14 -1.14 -4.98 119.74 118.20 3i5k s LYS 211 Ca 0.13 0.63 -0.07 0.00 -1.36 0.00 0.00 55.97 55.30 3i5k s LYS 211 Cb 0.16 -3.14 0.15 0.00 -1.68 0.00 0.00 37.83 33.32 3i5k s LYS 211 CO 0.55 0.60 1.70 -0.22 -0.76 0.00 0.00 175.35 177.22 3i5k h LYS 212 N 4.25 1.03 -2.15 1.68 3.64 -1.88 -3.38 116.57 119.76 3i5k h LYS 212 Ca -0.50 -0.29 -0.49 0.00 -1.27 0.00 0.00 60.65 58.10 3i5k h LYS 212 Cb 1.21 -0.11 -0.34 0.00 -0.41 0.00 0.00 32.23 32.57 3i5k h LYS 212 CO 0.64 0.97 -0.84 0.34 -2.27 0.00 0.00 179.45 178.29 3i5k s ASP 213 N -6.55 1.25 0.29 4.20 2.15 -1.26 -5.09 116.67 111.65 3i5k s ASP 213 Ca -0.11 -2.49 -0.29 0.00 0.43 0.00 0.00 52.55 50.09 3i5k s ASP 213 Cb 0.14 0.05 -0.10 0.00 -0.30 0.00 0.00 42.92 42.72 3i5k s ASP 213 CO 0.84 -0.19 1.32 -2.16 -0.17 0.00 0.00 175.17 174.81 3i5k s PRO 214 N 0.58 4.37 -0.03 4.34 0.04 -1.26 -0.63 135.00 142.40 3i5k s PRO 214 Ca 0.27 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.52 3i5k s PRO 214 Cb -0.05 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.38 3i5k s PRO 214 CO -0.11 -0.22 -0.12 1.41 0.04 0.00 0.00 177.00 178.00 3i5k s MET 215 N -1.16 1.20 0.18 4.56 1.75 -0.16 -4.70 119.30 120.97 3i5k s MET 215 Ca 0.52 -0.43 0.07 0.00 -1.25 0.00 0.00 55.69 54.61 3i5k s MET 215 Cb -0.39 -1.10 -0.04 0.00 2.84 0.00 0.00 34.83 36.13 3i5k s MET 215 CO 0.47 0.19 -0.14 0.20 -0.65 0.00 0.00 175.02 175.09 3i5k s GLY 216 N 0.03 1.30 0.12 2.11 0.00 0.11 -0.64 107.32 110.34 3i5k s GLY 216 Ca -0.01 -1.56 -0.14 0.00 0.00 0.00 0.00 44.72 43.01 3i5k s GLY 216 CO 0.01 -1.64 0.35 -0.11 0.00 0.00 0.00 173.10 171.71 3i5k s PHE 217 N -2.83 -0.13 -0.10 1.90 -0.12 -0.35 -0.59 117.98 115.75 3i5k s PHE 217 Ca 0.19 -0.21 -0.04 0.00 -0.05 0.00 0.00 56.93 56.82 3i5k s PHE 217 Cb -0.01 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 3i5k s PHE 217 CO 0.05 -0.67 0.05 -1.12 -0.05 0.00 0.00 175.22 173.49 3i5k s SER 218 N -2.81 5.67 -0.23 1.98 0.01 -1.26 -0.99 113.70 116.06 3i5k s SER 218 Ca 0.03 0.26 -0.05 0.00 1.31 0.00 0.00 55.95 57.51 3i5k s SER 218 Cb 0.02 -1.70 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 3i5k s SER 218 CO -0.12 0.39 -0.00 -0.47 0.41 0.00 0.00 173.24 173.45 3i5k s TYR 219 N -0.93 3.01 -0.43 2.43 5.04 -0.75 -4.51 117.35 121.21 3i5k s TYR 219 Ca 0.14 -0.74 -0.14 0.00 -2.44 0.00 0.00 57.07 53.90 3i5k s TYR 219 Cb -0.12 -2.15 0.05 0.00 0.35 0.00 0.00 41.96 40.09 3i5k s TYR 219 CO 0.03 -0.47 0.31 0.34 -1.34 0.00 0.00 175.55 174.42 3i5k s ASP 220 N 1.51 5.98 0.05 4.32 2.15 -1.26 -4.09 116.67 125.33 3i5k s ASP 220 Ca 0.06 -1.19 -0.29 0.00 0.43 0.00 0.00 52.55 51.56 3i5k s ASP 220 Cb -0.15 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.31 3i5k s ASP 220 CO -0.01 -0.53 0.93 -0.89 -0.17 0.00 0.00 175.17 174.50 3i5k s THR 221 N 1.60 4.71 -0.16 1.71 2.01 -1.26 0.11 115.64 124.35 3i5k s THR 221 Ca 0.04 1.98 -0.29 0.00 0.31 0.00 0.00 61.69 63.72 3i5k s THR 221 Cb -0.22 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 3i5k s THR 221 CO 0.07 0.26 1.64 -0.60 -0.69 0.00 0.00 174.62 175.29 3i5k s ARG 222 N 0.45 3.92 -0.87 4.92 3.52 -0.13 -3.94 118.95 126.81 3i5k s ARG 222 Ca 0.47 1.85 -0.05 0.00 -0.13 0.00 0.00 55.73 57.87 3i5k s ARG 222 Cb -0.22 -4.02 0.00 0.00 -1.56 0.00 0.00 34.95 29.15 3i5k s ARG 222 CO 0.28 -1.15 0.66 0.00 -0.81 0.00 0.00 175.30 174.27 3i5k h PHE 224 N -0.46 0.11 -0.86 0.00 3.57 -1.96 -1.49 116.94 115.84 3i5k h PHE 224 Ca -0.48 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.23 3i5k h PHE 224 Cb 1.29 0.03 -0.11 0.00 2.79 0.00 0.00 35.95 39.95 3i5k h PHE 224 CO 0.25 -0.04 0.40 -0.44 -2.23 0.00 0.00 178.31 176.24 3i5k h ASP 225 N 0.20 0.40 1.19 0.41 5.19 -1.91 0.36 116.42 122.25 3i5k h ASP 225 Ca 0.26 0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.74 3i5k h ASP 225 Cb 0.37 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 3i5k h ASP 225 CO -0.37 0.10 -0.25 0.28 -3.12 0.00 0.00 179.24 175.89 3i5k h SER 226 N 0.49 0.00 1.64 6.45 0.02 -1.58 -2.46 113.55 118.12 3i5k h SER 226 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3i5k h SER 226 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3i5k h SER 226 CO -0.45 0.25 -0.03 0.71 -1.14 0.00 0.00 176.83 176.17 3i5k h THR 227 N 0.00 0.00 -2.69 -2.27 1.35 -0.63 -3.44 112.91 105.23 3i5k h THR 227 Ca -0.00 -0.67 -0.55 0.00 -0.55 0.00 0.00 66.41 64.63 3i5k h THR 227 Cb 0.91 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.97 3i5k h THR 227 CO 0.03 0.00 1.05 -0.69 -0.25 0.00 0.00 175.52 175.67 3i5k s VAL 228 N -3.14 3.75 0.41 6.82 1.01 -0.93 -4.78 120.40 123.53 3i5k s VAL 228 Ca 0.09 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 3i5k s VAL 228 Cb 0.10 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3i5k s VAL 228 CO 0.63 -0.11 0.64 0.42 0.00 0.00 0.00 175.10 176.68 3i5k s THR 229 N 4.08 4.83 0.23 3.92 -4.23 -1.26 -3.84 115.64 119.37 3i5k s THR 229 Ca 0.69 -0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.85 3i5k s THR 229 Cb -0.30 -3.79 0.20 0.00 1.34 0.00 0.00 72.50 69.96 3i5k s THR 229 CO 0.26 -0.59 1.72 -0.33 -0.54 0.00 0.00 174.62 175.14 3i5k h GLU 230 N 0.53 0.36 -0.73 3.99 5.08 -1.85 -0.99 114.58 120.96 3i5k h GLU 230 Ca -0.48 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 3i5k h GLU 230 Cb 1.22 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 3i5k h GLU 230 CO 0.61 0.24 0.45 -0.09 -1.00 0.00 0.00 179.01 179.21 3i5k h ARG 231 N 0.37 0.83 -0.65 2.33 2.43 -1.96 -0.92 114.38 116.81 3i5k h ARG 231 Ca 0.38 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.59 3i5k h ARG 231 Cb 0.58 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 3i5k h ARG 231 CO -0.41 0.55 0.28 -0.44 -1.51 0.00 0.00 179.97 178.44 3i5k h ASP 232 N 0.86 0.32 0.30 -3.80 3.32 -1.60 0.67 116.42 116.49 3i5k h ASP 232 Ca 0.30 0.07 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 3i5k h ASP 232 Cb 0.07 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3i5k h ASP 232 CO -0.13 0.18 -0.68 0.40 -1.72 0.00 0.00 179.24 177.30 3i5k h ILE 233 N 0.48 1.38 -0.04 0.35 2.04 -0.58 -1.32 117.51 119.82 3i5k h ILE 233 Ca 0.33 -2.08 -0.15 0.00 1.00 0.00 0.00 64.86 63.95 3i5k h ILE 233 Cb 0.38 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3i5k h ILE 233 CO -0.29 0.62 -0.66 0.03 0.00 0.00 0.00 178.15 177.85 3i5k h ARG 234 N 0.24 0.19 -0.52 2.37 3.08 -0.84 -2.26 114.38 116.64 3i5k h ARG 234 Ca -0.02 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3i5k h ARG 234 Cb 1.23 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3i5k h ARG 234 CO 0.11 0.78 0.19 1.15 -1.07 0.00 0.00 179.97 181.13 3i5k h THR 235 N 0.13 1.22 -0.72 2.04 2.02 -0.64 -1.23 112.91 115.74 3i5k h THR 235 Ca -0.01 -0.71 0.08 0.00 0.77 0.00 0.00 66.41 66.54 3i5k h THR 235 Cb 1.18 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 3i5k h THR 235 CO 0.10 0.27 0.38 -0.33 0.37 0.00 0.00 175.52 176.31 3i5k h GLU 236 N 0.71 0.64 -0.55 6.66 5.08 -1.10 -1.19 114.58 124.83 3i5k h GLU 236 Ca 0.17 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3i5k h GLU 236 Cb 0.23 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3i5k h GLU 236 CO -0.01 0.43 0.32 1.49 -1.00 0.00 0.00 179.01 180.23 3i5k h GLU 237 N 0.66 0.60 -0.02 2.33 4.81 -1.02 -0.09 114.58 121.85 3i5k h GLU 237 Ca 0.34 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 3i5k h GLU 237 Cb 0.31 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3i5k h GLU 237 CO -0.24 0.40 -0.16 0.66 -0.73 0.00 0.00 179.01 178.94 3i5k h SER 238 N 0.62 0.03 -0.13 1.04 4.64 -0.34 0.64 113.55 120.06 3i5k h SER 238 Ca 0.23 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 3i5k h SER 238 Cb 0.07 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3i5k h SER 238 CO -0.12 0.20 -0.18 0.40 -0.87 0.00 0.00 176.83 176.25 3i5k h ILE 239 N 0.03 1.37 -1.00 0.95 2.04 -0.39 -2.23 117.51 118.27 3i5k h ILE 239 Ca 0.01 -1.41 0.11 0.00 1.00 0.00 0.00 64.86 64.56 3i5k h ILE 239 Cb 0.31 2.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.31 3i5k h ILE 239 CO 0.02 0.41 0.63 1.88 0.00 0.00 0.00 178.15 181.10 3i5k h TYR 240 N -0.06 1.15 0.00 1.37 0.05 -0.54 -2.52 116.97 116.42 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 0.75 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3i5k h TYR 240 CO 0.10 0.48 0.00 1.04 -1.05 0.00 0.00 178.16 178.73 3i5k n GLN 241 N -4.60 0.20 0.20 4.88 1.13 0.17 -2.75 117.38 116.62 3i5k n GLN 241 Ca 0.18 0.24 0.07 0.00 -1.94 0.00 0.00 57.00 55.55 3i5k n GLN 241 Cb 0.32 -1.77 0.36 0.00 0.11 0.00 0.00 30.24 29.26 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 2.52 0.98 -2.27 -1.58 0.00 -0.93 -3.45 119.26 114.52 3i5k h ALA 242 Ca 0.00 -0.29 -0.52 0.00 0.00 0.00 0.00 54.91 54.10 3i5k h ALA 242 Cb 0.60 -0.05 0.20 0.00 0.00 0.00 0.00 17.79 18.54 3i5k h ALA 242 CO 0.00 0.41 0.23 0.00 0.00 0.00 0.00 179.25 179.88 3i5k s SER 244 N -2.69 7.00 0.06 0.00 0.01 0.60 -4.99 113.70 113.70 3i5k s SER 244 Ca 0.67 1.23 0.02 0.00 1.31 0.00 0.00 55.95 59.17 3i5k s SER 244 Cb -0.23 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 3i5k s SER 244 CO 0.58 -0.67 -0.07 -0.76 0.41 0.00 0.00 173.24 172.73 3i5k s LEU 245 N 3.19 2.34 0.52 2.44 1.43 -1.26 -1.37 118.68 125.96 3i5k s LEU 245 Ca 0.42 -0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 3i5k s LEU 245 Cb -0.15 -0.13 -0.06 0.00 0.03 0.00 0.00 46.19 45.89 3i5k s LEU 245 CO 0.08 -0.29 1.22 -2.16 0.23 0.00 0.00 176.35 175.43 3i5k s PRO 246 N -2.29 3.38 0.33 1.29 0.04 -1.26 -4.89 135.00 131.60 3i5k s PRO 246 Ca -0.03 1.89 0.08 0.00 0.04 0.00 0.00 61.00 62.97 3i5k s PRO 246 Cb -0.05 -2.22 0.79 0.00 0.04 0.00 0.00 34.50 33.06 3i5k s PRO 246 CO -0.01 -0.89 1.80 0.93 0.04 0.00 0.00 177.00 178.87 3i5k h GLU 247 N 1.55 0.70 -0.64 4.56 5.08 -2.00 -1.68 114.58 122.15 3i5k h GLU 247 Ca -0.50 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3i5k h GLU 247 Cb 1.27 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3i5k h GLU 247 CO 0.58 0.46 0.40 1.49 -1.00 0.00 0.00 179.01 180.94 3i5k h GLU 248 N 0.72 0.76 -0.55 2.33 4.81 -2.00 -1.25 114.58 119.39 3i5k h GLU 248 Ca 0.55 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 3i5k h GLU 248 Cb 0.90 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 3i5k h GLU 248 CO -0.32 0.50 0.29 0.00 -0.73 0.00 0.00 179.01 178.75 3i5k h ALA 249 N 1.28 0.71 -0.69 2.92 0.00 -1.69 -2.16 119.26 119.62 3i5k h ALA 249 Ca 0.26 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3i5k h ALA 249 Cb 0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3i5k h ALA 249 CO -0.10 0.25 0.36 0.00 0.00 0.00 0.00 179.25 179.75 3i5k h ARG 250 N 0.74 0.62 0.33 0.00 3.08 -0.98 0.55 114.38 118.73 3i5k h ARG 250 Ca 0.19 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3i5k h ARG 250 Cb 0.08 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3i5k h ARG 250 CO -0.03 0.41 -0.16 1.15 -1.07 0.00 0.00 179.97 180.27 3i5k h THR 251 N 0.64 0.69 -0.34 2.04 2.02 -1.07 -2.28 112.91 114.61 3i5k h THR 251 Ca 0.32 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 67.27 3i5k h THR 251 Cb 0.28 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3i5k h THR 251 CO -0.23 0.06 0.12 0.00 0.37 0.00 0.00 175.52 175.84 3i5k h ALA 252 N 0.02 0.39 -0.92 6.16 0.00 -1.14 -1.43 119.26 122.34 3i5k h ALA 252 Ca -0.05 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3i5k h ALA 252 Cb 0.43 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3i5k h ALA 252 CO 0.08 -0.27 0.60 0.82 0.00 0.00 0.00 179.25 180.47 3i5k h ILE 253 N 0.27 1.15 -0.27 0.00 2.04 -0.91 0.12 117.51 119.91 3i5k h ILE 253 Ca 0.15 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3i5k h ILE 253 Cb 0.12 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 3i5k h ILE 253 CO -0.15 0.21 -0.01 -0.74 0.00 0.00 0.00 178.15 177.46 3i5k h HIS 254 N 1.15 0.53 -0.36 1.37 2.76 -0.96 -0.80 115.15 118.84 3i5k h HIS 254 Ca 0.37 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 3i5k h HIS 254 Cb 0.01 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 3i5k h HIS 254 CO -0.01 0.65 0.20 0.77 -1.30 0.00 0.00 177.93 178.23 3i5k h SER 255 N 0.26 0.45 -0.70 3.26 0.02 -0.93 -0.78 113.55 115.12 3i5k h SER 255 Ca 0.07 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3i5k h SER 255 Cb 0.44 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 3i5k h SER 255 CO 0.02 0.40 0.42 -0.07 -1.14 0.00 0.00 176.83 176.45 3i5k h LEU 256 N 0.46 0.65 0.33 5.07 3.38 -0.72 0.20 115.31 124.68 3i5k h LEU 256 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3i5k h LEU 256 Cb 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3i5k h LEU 256 CO -0.02 0.43 -0.17 0.74 0.09 0.00 0.00 178.44 179.51 3i5k h THR 257 N 0.78 0.64 0.00 0.22 2.02 -0.88 0.33 112.91 116.02 3i5k h THR 257 Ca 0.30 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.36 3i5k h THR 257 Cb 0.11 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3i5k h THR 257 CO -0.15 0.00 -0.54 -0.33 0.37 0.00 0.00 175.52 174.87 3i5k h GLU 258 N -0.47 0.00 0.00 6.66 4.39 -0.91 -0.73 114.58 123.53 3i5k h GLU 258 Ca -0.04 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 3i5k h GLU 258 Cb 0.37 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3i5k h GLU 258 CO 0.06 0.54 -2.04 0.54 -1.16 0.00 0.00 179.01 176.96 3i5k n ARG 259 N -3.77 0.66 0.06 2.33 1.74 0.68 -4.72 116.66 113.65 3i5k n ARG 259 Ca -0.01 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3i5k n ARG 259 Cb 0.57 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 -2.56 0.24 -0.21 0.55 7.94 -0.16 -0.80 117.00 122.00 3i5k n LEU 260 Ca -0.16 0.21 -0.08 0.00 -1.11 0.00 0.00 56.01 54.87 3i5k n LEU 260 Cb 0.84 0.05 0.03 0.00 0.53 0.00 0.00 43.42 44.87 3i5k n LEU 260 CO 0.44 -0.59 0.96 1.88 -1.11 0.00 0.00 177.39 178.98 3i5k h TYR 261 N 0.00 0.94 0.00 1.96 0.05 -0.79 -2.97 116.97 116.15 3i5k h TYR 261 Ca 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 3i5k h TYR 261 Cb 0.17 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 3i5k h TYR 261 CO 0.00 0.77 -0.05 -0.39 -1.05 0.00 0.00 178.16 177.44 3i5k h VAL 262 N 0.83 0.13 0.00 -2.88 -1.51 -1.39 -3.40 116.25 108.03 3i5k h VAL 262 Ca 0.19 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3i5k h VAL 262 Cb 0.25 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3i5k h VAL 262 CO -0.01 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 176.99 3i5k n GLY 263 N 0.06 -1.20 0.00 5.19 0.00 -1.12 -4.06 105.19 104.06 3i5k n GLY 263 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.31 2.77 3.77 -0.02 0.00 -0.74 -4.11 105.19 105.55 3i5k n GLY 264 Ca 0.00 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.09 3.59 -0.07 1.61 0.04 -1.26 -1.46 135.00 135.37 3i5k s PRO 265 Ca 0.00 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.83 3i5k s PRO 265 Cb 0.00 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3i5k s PRO 265 CO 0.00 -0.69 -0.20 -1.64 0.04 0.00 0.00 177.00 174.52 3i5k s MET 266 N -2.90 2.65 0.13 4.56 -1.94 0.86 -2.16 119.30 120.51 3i5k s MET 266 Ca 0.67 -0.81 0.10 0.00 -1.71 0.00 0.00 55.69 53.95 3i5k s MET 266 Cb -0.28 -2.30 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 3i5k s MET 266 CO 0.33 0.44 -0.23 -0.06 -0.01 0.00 0.00 175.02 175.48 3i5k s PHE 267 N -0.27 2.40 0.87 -0.03 0.08 -0.07 0.25 117.98 121.20 3i5k s PHE 267 Ca 0.01 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 56.63 3i5k s PHE 267 Cb -0.13 -1.27 0.17 0.00 -0.57 0.00 0.00 43.02 41.22 3i5k s PHE 267 CO 0.03 0.38 1.19 0.54 -0.10 0.00 0.00 175.22 177.26 3i5k s ASN 268 N -2.17 3.59 0.37 1.36 2.20 -0.41 -1.23 114.94 118.65 3i5k s ASN 268 Ca 0.16 -0.02 0.27 0.00 -0.94 0.00 0.00 52.86 52.33 3i5k s ASN 268 Cb -0.10 -0.15 1.31 0.00 -2.00 0.00 0.00 41.25 40.31 3i5k s ASN 268 CO 0.08 -2.40 1.81 0.77 -2.94 0.00 0.00 177.10 174.43 3i5k h SER 269 N -1.20 0.00 0.31 3.54 4.64 -1.78 -0.22 113.55 118.84 3i5k h SER 269 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3i5k h SER 269 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3i5k h SER 269 CO 0.38 0.00 -0.35 0.29 -0.87 0.00 0.00 176.83 176.28 3i5k n LYS 270 N -2.46 0.56 -0.64 4.77 5.02 -1.26 -4.94 118.16 119.21 3i5k n LYS 270 Ca -0.00 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 3i5k n LYS 270 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.39 0.67 3.76 0.72 0.00 -0.10 -5.05 105.19 106.59 3i5k n GLY 271 Ca 0.10 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.48 4.68 0.08 1.61 -0.21 -1.26 -4.82 119.66 119.26 3i5k s GLN 272 Ca 0.00 1.29 -0.31 0.00 0.02 0.00 0.00 55.36 56.37 3i5k s GLN 272 Cb 0.00 -3.28 -0.09 0.00 1.00 0.00 0.00 33.01 30.63 3i5k s GLN 272 CO 0.00 0.51 1.84 0.99 -2.12 0.00 0.00 175.29 176.51 3i5k s THR 273 N -1.01 2.82 -0.17 -0.19 2.01 -1.26 -1.29 115.64 116.56 3i5k s THR 273 Ca 0.39 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.58 3i5k s THR 273 Cb -0.24 -3.09 -0.14 0.00 0.01 0.00 0.00 72.50 69.04 3i5k s THR 273 CO 0.28 -0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 174.13 3i5k n GLY 275 N 2.43 -0.95 2.96 0.00 0.00 -0.97 -1.17 105.19 107.49 3i5k n GLY 275 Ca -0.29 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 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 0.59 -0.12 1.61 5.04 -0.02 -0.09 117.35 121.36 3i5k s TYR 276 Ca 0.00 -0.12 -0.03 0.00 -2.44 0.00 0.00 57.07 54.48 3i5k s TYR 276 Cb 0.00 -0.42 -0.03 0.00 0.35 0.00 0.00 41.96 41.86 3i5k s TYR 276 CO 0.00 -0.04 0.01 0.50 -1.34 0.00 0.00 175.55 174.68 3i5k s ARG 277 N 0.06 3.29 -0.16 4.97 3.52 -0.53 -1.34 118.95 128.76 3i5k s ARG 277 Ca -0.00 -0.40 0.16 0.00 -0.13 0.00 0.00 55.73 55.36 3i5k s ARG 277 Cb -0.05 -2.91 0.44 0.00 -1.56 0.00 0.00 34.95 30.87 3i5k s ARG 277 CO -0.00 0.56 1.19 0.54 -0.81 0.00 0.00 175.30 176.77 3i5k n ARG 278 N 2.60 1.41 -2.72 5.12 1.74 0.07 -1.80 116.66 123.09 3i5k n ARG 278 Ca -0.18 -3.05 -0.07 0.00 -0.77 0.00 0.00 57.85 53.78 3i5k n ARG 278 Cb 0.53 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.74 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 -0.25 2.32 -2.47 0.00 3.00 -0.94 -4.52 116.66 113.79 3i5k n ARG 280 Ca 0.01 0.83 -0.42 0.00 -0.00 0.00 0.00 57.85 58.28 3i5k n ARG 280 Cb 0.25 -2.61 -0.03 0.00 0.00 0.00 0.00 32.46 30.07 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 0.83 3.41 0.14 5.13 0.00 -1.26 -4.76 121.76 125.24 3i5k s ALA 281 Ca 0.76 0.71 0.33 0.00 0.00 0.00 0.00 51.96 53.76 3i5k s ALA 281 Cb -0.62 -3.46 1.38 0.00 0.00 0.00 0.00 23.12 20.42 3i5k s ALA 281 CO 0.38 -0.56 1.99 0.66 0.00 0.00 0.00 175.76 178.24 3i5k h SER 282 N 7.10 0.00 -0.96 0.00 4.64 -1.88 -3.34 113.55 119.11 3i5k h SER 282 Ca -0.38 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.42 3i5k h SER 282 Cb 1.19 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.86 3i5k h SER 282 CO 0.84 0.03 -0.85 0.61 -0.87 0.00 0.00 176.83 176.58 3i5k n GLY 283 N -0.03 5.44 3.68 -0.77 0.00 0.34 -4.81 105.19 109.04 3i5k n GLY 283 Ca 0.00 -2.43 -0.25 0.00 0.00 0.00 0.00 46.02 43.35 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 -4.70 2.41 0.39 1.61 -7.23 -1.25 -4.48 120.40 107.16 3i5k s VAL 284 Ca 0.46 -1.84 0.08 0.00 -1.81 0.00 0.00 61.98 58.87 3i5k s VAL 284 Cb 0.40 -2.93 0.20 0.00 0.56 0.00 0.00 36.38 34.61 3i5k s VAL 284 CO -0.04 -0.08 1.97 0.25 -0.31 0.00 0.00 175.10 176.89 3i5k h LEU 285 N 1.62 0.35 -1.14 1.32 5.85 -1.94 -2.77 115.31 118.60 3i5k h LEU 285 Ca -0.43 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.25 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 0.70 0.38 0.00 0.35 -0.34 0.00 0.00 178.44 179.53 3i5k n THR 286 N -4.36 0.18 -0.01 1.05 -2.24 -1.26 -4.27 114.28 103.37 3i5k n THR 286 Ca 0.01 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3i5k n THR 286 Cb 0.18 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 2.35 0.64 0.09 4.28 2.02 -1.74 0.39 112.91 120.95 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 0.51 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3i5k h THR 287 CO 0.00 0.00 -0.04 -1.28 0.37 0.00 0.00 175.52 174.57 3i5k h SER 288 N -0.14 -0.10 -0.37 4.18 0.87 -1.81 -1.12 113.55 115.05 3i5k h SER 288 Ca 0.10 -0.46 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 3i5k h SER 288 Cb 0.28 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3i5k h SER 288 CO -0.23 0.46 0.14 -0.03 -0.53 0.00 0.00 176.83 176.64 3i5k h MET 289 N -0.72 0.56 0.09 2.24 -1.53 -1.76 -1.12 114.93 112.70 3i5k h MET 289 Ca -0.01 -0.11 0.02 0.00 -3.44 0.00 0.00 59.70 56.16 3i5k h MET 289 Cb 0.56 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.49 3i5k h MET 289 CO 0.02 0.55 -0.21 0.78 0.14 0.00 0.00 176.91 178.18 3i5k h GLY 290 N 0.46 -0.38 0.44 1.39 0.00 -0.28 -1.46 103.07 103.24 3i5k h GLY 290 Ca 0.12 0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.78 3i5k h GLY 290 CO -0.01 -0.19 0.16 3.43 0.00 0.00 0.00 176.54 179.93 3i5k h ASN 291 N -0.39 0.12 -0.26 0.19 2.35 -1.17 -0.74 115.58 115.69 3i5k h ASN 291 Ca 0.03 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3i5k h ASN 291 Cb 0.42 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 3i5k h ASN 291 CO -0.13 0.09 0.07 0.74 -1.65 0.00 0.00 177.43 176.55 3i5k h THR 292 N 0.32 0.90 -0.19 2.81 2.02 -0.96 0.66 112.91 118.47 3i5k h THR 292 Ca 0.25 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 3i5k h THR 292 Cb 0.31 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3i5k h THR 292 CO -0.28 0.03 -0.00 0.40 0.37 0.00 0.00 175.52 176.04 3i5k h ILE 293 N 0.18 1.25 -0.41 3.11 2.04 -1.09 -1.40 117.51 121.19 3i5k h ILE 293 Ca 0.12 -0.87 -0.15 0.00 1.00 0.00 0.00 64.86 64.96 3i5k h ILE 293 Cb 0.10 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3i5k h ILE 293 CO -0.14 0.26 -0.32 0.74 0.00 0.00 0.00 178.15 178.69 3i5k h THR 294 N 0.09 1.27 -0.55 -0.27 2.02 -1.03 -0.91 112.91 113.53 3i5k h THR 294 Ca 0.05 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 3i5k h THR 294 Cb 0.39 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3i5k h THR 294 CO 0.01 0.50 0.30 0.00 0.37 0.00 0.00 175.52 176.70 3i5k h TYR 296 N 0.74 0.42 -0.12 0.00 3.20 -0.97 0.13 116.97 120.37 3i5k h TYR 296 Ca 0.19 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3i5k h TYR 296 Cb 0.06 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3i5k h TYR 296 CO -0.01 0.41 0.08 0.28 -1.64 0.00 0.00 178.16 177.28 3i5k h VAL 297 N 0.30 1.05 -0.46 1.81 2.07 -1.10 0.12 116.25 120.05 3i5k h VAL 297 Ca 0.09 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3i5k h VAL 297 Cb 0.17 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3i5k h VAL 297 CO -0.01 0.05 0.13 0.11 0.02 0.00 0.00 177.57 177.86 3i5k h LYS 298 N 0.15 0.72 -0.41 1.57 1.57 -1.17 -2.30 116.57 116.70 3i5k h LYS 298 Ca 0.04 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 3i5k h LYS 298 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3i5k h LYS 298 CO -0.01 0.71 0.03 0.00 -0.57 0.00 0.00 179.45 179.60 3i5k h ALA 299 N 0.99 0.55 -0.40 3.86 0.00 -0.54 0.06 119.26 123.78 3i5k h ALA 299 Ca 0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3i5k h ALA 299 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i5k h ALA 299 CO -0.00 0.31 -0.13 1.25 0.00 0.00 0.00 179.25 180.67 3i5k h LEU 300 N 0.55 0.81 -0.65 0.00 5.85 -0.96 -0.27 115.31 120.64 3i5k h LEU 300 Ca 0.12 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3i5k h LEU 300 Cb 0.44 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3i5k h LEU 300 CO 0.02 1.00 0.41 0.00 -0.34 0.00 0.00 178.44 179.53 3i5k h ALA 301 N 0.83 0.83 -0.22 1.25 0.00 -1.36 -2.47 119.26 118.11 3i5k h ALA 301 Ca 0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3i5k h ALA 301 Cb 0.67 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3i5k h ALA 301 CO 0.05 0.28 -0.13 0.00 0.00 0.00 0.00 179.25 179.44 3i5k h ALA 302 N 1.22 1.37 -0.66 0.00 0.00 -0.68 -0.96 119.26 119.55 3i5k h ALA 302 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i5k h ALA 302 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3i5k h ALA 302 CO -0.05 0.43 0.42 0.00 0.00 0.00 0.00 179.25 180.05 3i5k h LYS 304 N 0.90 0.45 -0.94 0.00 1.57 -1.00 -0.81 116.57 116.73 3i5k h LYS 304 Ca 0.24 -0.12 0.10 0.00 -1.87 0.00 0.00 60.65 58.99 3i5k h LYS 304 Cb -0.06 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.12 3i5k h LYS 304 CO -0.05 0.56 0.58 0.00 -0.57 0.00 0.00 179.45 179.98 3i5k h ALA 305 N 0.86 1.37 0.00 3.86 0.00 -1.01 -2.93 119.26 121.40 3i5k h ALA 305 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i5k h ALA 305 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i5k h ALA 305 CO 0.01 0.25 -0.44 0.00 0.00 0.00 0.00 179.25 179.06 3i5k n ALA 306 N -2.36 2.76 -2.22 0.00 0.00 0.04 -4.95 120.51 113.78 3i5k n ALA 306 Ca 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 3i5k n ALA 306 Cb 0.28 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3i5k n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5k n GLY 307 N 1.34 0.18 3.70 0.00 0.00 -0.45 -4.74 105.19 105.22 3i5k n GLY 307 Ca 0.04 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.42 3.19 -0.27 -0.61 -1.09 -0.44 -4.98 121.20 114.57 3i5k s ILE 308 Ca 0.03 0.73 -0.13 0.00 -2.23 0.00 0.00 60.65 59.05 3i5k s ILE 308 Cb -0.01 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 3i5k s ILE 308 CO 0.03 0.02 0.29 -0.69 -1.23 0.00 0.00 174.94 173.36 3i5k s VAL 309 N 1.92 5.24 -0.98 2.92 1.01 -1.26 -4.54 120.40 124.72 3i5k s VAL 309 Ca 0.68 0.40 -0.05 0.00 0.00 0.00 0.00 61.98 63.01 3i5k s VAL 309 Cb -0.38 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 3i5k s VAL 309 CO 0.30 0.21 0.85 0.00 0.00 0.00 0.00 175.10 176.47 3i5k n ALA 310 N 5.08 -2.28 -2.39 5.51 0.00 -1.26 -1.17 120.51 124.01 3i5k n ALA 310 Ca -0.11 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3i5k n ALA 310 Cb 0.51 -5.06 -0.03 0.00 0.00 0.00 0.00 19.45 14.88 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 -4.38 4.48 -0.18 0.00 0.04 -1.26 -4.22 135.00 129.47 3i5k s PRO 311 Ca 0.38 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 63.13 3i5k s PRO 311 Cb -0.05 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.15 3i5k s PRO 311 CO 0.68 -0.17 -0.15 0.99 0.04 0.00 0.00 177.00 178.39 3i5k s THR 312 N 0.79 2.54 0.13 1.26 2.01 0.17 -4.97 115.64 117.58 3i5k s THR 312 Ca 0.56 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.84 3i5k s THR 312 Cb -0.28 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 3i5k s THR 312 CO 0.30 0.50 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.65 3i5k s MET 313 N 1.20 2.29 -0.19 4.92 -1.94 -1.26 -0.61 119.30 123.72 3i5k s MET 313 Ca 0.02 -1.04 -0.00 0.00 -1.71 0.00 0.00 55.69 52.96 3i5k s MET 313 Cb -0.14 -2.35 0.05 0.00 2.01 0.00 0.00 34.83 34.39 3i5k s MET 313 CO -0.07 0.49 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.20 3i5k s LEU 314 N -2.54 1.92 -0.19 -0.03 2.96 -0.30 -4.26 118.68 116.25 3i5k s LEU 314 Ca 0.25 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 3i5k s LEU 314 Cb -0.10 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.57 3i5k s LEU 314 CO 0.16 -0.19 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.18 3i5k s VAL 315 N 1.54 2.57 -0.29 1.68 1.01 0.75 -1.34 120.40 126.32 3i5k s VAL 315 Ca -0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3i5k s VAL 315 Cb -0.16 -2.12 0.09 0.00 0.00 0.00 0.00 36.38 34.19 3i5k s VAL 315 CO -0.08 0.50 0.07 0.00 0.00 0.00 0.00 175.10 175.59 3i5k n GLY 317 N 4.81 3.45 0.00 0.00 0.00 -1.26 -1.35 105.19 110.84 3i5k n GLY 317 Ca -0.03 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 4.43 0.00 -4.64 1.61 5.75 -1.26 -3.67 116.55 118.75 3i5k n ASP 318 Ca 0.00 0.14 -0.42 0.00 -0.01 0.00 0.00 54.79 54.50 3i5k n ASP 318 Cb 0.00 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 39.68 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 -2.74 6.88 -0.08 -1.12 2.15 -0.46 -4.72 116.67 116.59 3i5k s ASP 319 Ca 0.20 1.09 0.01 0.00 0.43 0.00 0.00 52.55 54.27 3i5k s ASP 319 Cb 0.17 -2.46 0.02 0.00 -0.30 0.00 0.00 42.92 40.35 3i5k s ASP 319 CO 0.42 -0.57 -0.08 -0.22 -0.17 0.00 0.00 175.17 174.55 3i5k s LEU 320 N 2.96 1.32 -0.10 -1.34 2.96 -1.26 -1.26 118.68 121.96 3i5k s LEU 320 Ca 0.37 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3i5k s LEU 320 Cb -0.15 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 3i5k s LEU 320 CO 0.08 -0.06 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.23 3i5k s VAL 321 N 1.25 3.13 -0.16 1.68 1.01 -0.45 -1.80 120.40 125.06 3i5k s VAL 321 Ca -0.04 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3i5k s VAL 321 Cb -0.14 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.98 3i5k s VAL 321 CO -0.03 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.78 3i5k s VAL 322 N -0.08 1.70 -0.15 2.92 1.01 -0.17 -1.15 120.40 124.48 3i5k s VAL 322 Ca -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3i5k s VAL 322 Cb -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3i5k s VAL 322 CO 0.04 0.43 -0.09 -0.63 0.00 0.00 0.00 175.10 174.84 3i5k s ILE 323 N 1.42 3.32 0.34 2.22 1.01 0.22 -1.21 121.20 128.53 3i5k s ILE 323 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3i5k s ILE 323 Cb -0.13 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 3i5k s ILE 323 CO -0.11 0.50 0.44 -1.54 0.00 0.00 0.00 174.94 174.23 3i5k n SER 324 N 3.78 -1.21 -4.66 3.58 3.41 0.19 0.41 113.62 119.12 3i5k n SER 324 Ca -0.18 -2.95 -0.43 0.00 -0.26 0.00 0.00 58.87 55.05 3i5k n SER 324 Cb 0.52 2.33 -0.02 0.00 -0.26 0.00 0.00 64.21 66.79 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 -2.92 4.26 0.32 4.33 0.41 -0.31 -0.99 118.70 123.81 3i5k s GLU 325 Ca 0.31 1.47 -0.29 0.00 -0.41 0.00 0.00 54.97 56.05 3i5k s GLU 325 Cb -0.00 -3.68 -0.11 0.00 -1.78 0.00 0.00 34.13 28.56 3i5k s GLU 325 CO 0.22 -0.64 1.56 0.45 -0.49 0.00 0.00 175.26 176.37 3i5k n SER 326 N 6.33 3.85 -1.16 -0.19 2.88 0.20 -4.44 113.62 121.09 3i5k n SER 326 Ca 0.12 1.18 0.08 0.00 -1.33 0.00 0.00 58.87 58.92 3i5k n SER 326 Cb 0.46 -1.61 0.28 0.00 -0.75 0.00 0.00 64.21 62.60 3i5k n SER 326 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i5k n GLN 327 N 1.55 3.40 0.00 -1.46 1.13 -1.26 -4.92 117.38 115.82 3i5k n GLN 327 Ca 0.06 -2.73 0.00 0.00 -1.94 0.00 0.00 57.00 52.39 3i5k n GLN 327 Cb 0.38 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.94 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 0.33 2.36 0.19 1.08 0.00 -1.26 -4.59 105.19 103.30 3i5k n GLY 328 Ca 0.21 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 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 0.72 -0.01 2.61 2.02 -1.99 -0.19 112.91 116.06 3i5k h THR 329 Ca 0.00 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.84 3i5k h THR 329 Cb 0.00 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3i5k h THR 329 CO 0.00 0.04 -0.67 -0.33 0.37 0.00 0.00 175.52 174.93 3i5k h GLU 330 N -0.52 0.04 -0.28 6.66 5.08 -2.00 -2.87 114.58 120.69 3i5k h GLU 330 Ca -0.04 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 3i5k h GLU 330 Cb 0.39 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3i5k h GLU 330 CO 0.07 0.70 -0.31 0.93 -1.00 0.00 0.00 179.01 179.40 3i5k h GLU 331 N 0.03 0.71 -0.53 2.33 3.07 -1.78 -1.89 114.58 116.51 3i5k h GLU 331 Ca -0.01 -0.38 0.04 0.00 -0.50 0.00 0.00 59.36 58.51 3i5k h GLU 331 Cb 1.19 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 29.08 3i5k h GLU 331 CO 0.09 1.00 0.28 -0.44 -1.40 0.00 0.00 179.01 178.54 3i5k h ASP 332 N 0.45 0.42 -0.09 1.42 3.32 -1.06 0.40 116.42 121.28 3i5k h ASP 332 Ca 0.04 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3i5k h ASP 332 Cb 0.88 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 3i5k h ASP 332 CO 0.07 0.29 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.51 3i5k h GLU 333 N 0.55 -0.04 -0.25 3.56 4.39 -1.37 -1.09 114.58 120.33 3i5k h GLU 333 Ca 0.23 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.98 3i5k h GLU 333 Cb 0.12 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 3i5k h GLU 333 CO -0.15 -0.02 -0.06 -0.09 -1.16 0.00 0.00 179.01 177.53 3i5k h ARG 334 N -0.04 0.00 -0.44 2.33 1.12 -1.08 -2.18 114.38 114.09 3i5k h ARG 334 Ca 0.05 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.91 3i5k h ARG 334 Cb 0.11 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.05 3i5k h ARG 334 CO -0.12 0.00 0.21 -0.91 -3.11 0.00 0.00 179.97 176.05 3i5k h ASN 335 N 0.00 0.55 0.45 -3.80 2.35 0.06 -1.29 115.58 113.89 3i5k h ASN 335 Ca 0.12 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 3i5k h ASN 335 Cb 0.18 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3i5k h ASN 335 CO -0.26 0.47 -0.67 -0.07 -1.65 0.00 0.00 177.43 175.25 3i5k h LEU 336 N 0.62 0.24 -0.12 1.61 4.07 -0.99 0.21 115.31 120.94 3i5k h LEU 336 Ca 0.16 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 3i5k h LEU 336 Cb 0.07 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3i5k h LEU 336 CO -0.02 0.83 0.06 0.03 -1.08 0.00 0.00 178.44 178.27 3i5k h ARG 337 N 0.14 0.17 -0.70 1.13 3.08 -0.75 -1.47 114.38 115.98 3i5k h ARG 337 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3i5k h ARG 337 Cb 1.20 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 3i5k h ARG 337 CO 0.10 0.19 0.45 0.00 -1.07 0.00 0.00 179.97 179.64 3i5k h ALA 338 N 0.97 0.88 -0.24 0.04 0.00 -1.07 -0.07 119.26 119.76 3i5k h ALA 338 Ca 0.04 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3i5k h ALA 338 Cb 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3i5k h ALA 338 CO -0.01 0.32 0.02 0.35 0.00 0.00 0.00 179.25 179.94 3i5k h PHE 339 N 0.95 0.03 -0.56 0.00 3.57 -0.88 -1.15 116.94 118.90 3i5k h PHE 339 Ca 0.25 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.80 3i5k h PHE 339 Cb -0.09 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3i5k h PHE 339 CO -0.02 -0.01 0.33 1.15 -2.23 0.00 0.00 178.31 177.53 3i5k h THR 340 N 0.11 1.04 -0.69 4.41 2.02 -0.80 -0.93 112.91 118.07 3i5k h THR 340 Ca 0.11 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3i5k h THR 340 Cb 0.13 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3i5k h THR 340 CO -0.17 0.12 0.39 -0.33 0.37 0.00 0.00 175.52 175.90 3i5k h GLU 341 N 0.65 0.96 0.11 6.66 5.08 -0.65 0.65 114.58 128.04 3i5k h GLU 341 Ca 0.23 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3i5k h GLU 341 Cb 0.04 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3i5k h GLU 341 CO -0.11 0.71 -0.05 0.00 -1.00 0.00 0.00 179.01 178.56 3i5k h ALA 342 N 1.20 -0.15 -0.62 3.43 0.00 -0.95 -1.23 119.26 120.94 3i5k h ALA 342 Ca 0.24 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3i5k h ALA 342 Cb 0.02 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 3i5k h ALA 342 CO -0.04 -0.48 0.20 0.52 0.00 0.00 0.00 179.25 179.45 3i5k h MET 343 N -0.36 0.35 -0.06 0.00 2.86 -1.02 -0.51 114.93 116.19 3i5k h MET 343 Ca -0.02 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3i5k h MET 343 Cb 0.30 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3i5k h MET 343 CO 0.03 0.23 -0.23 1.15 1.06 0.00 0.00 176.91 179.15 3i5k h THR 344 N 0.37 0.45 -0.81 2.22 2.02 -0.78 0.33 112.91 116.70 3i5k h THR 344 Ca 0.32 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.65 3i5k h THR 344 Cb 0.42 0.45 -0.10 0.00 -1.74 0.00 0.00 68.15 67.19 3i5k h THR 344 CO -0.34 0.00 0.38 0.03 0.37 0.00 0.00 175.52 175.96 3i5k h ARG 345 N -0.33 0.53 0.00 6.66 3.08 -0.42 0.66 114.38 124.55 3i5k h ARG 345 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i5k h ARG 345 Cb 0.44 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3i5k h ARG 345 CO -0.25 0.35 0.00 0.66 -1.07 0.00 0.00 179.97 179.66 3i5k n TYR 346 N -4.93 0.00 -2.53 3.04 4.01 -0.28 -1.04 117.16 115.44 3i5k n TYR 346 Ca 0.16 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.82 3i5k n TYR 346 Cb 0.44 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.51 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 -0.66 -3.27 -2.96 7.72 2.88 0.22 -4.89 113.62 112.66 3i5k n SER 347 Ca 0.06 -0.33 -0.15 0.00 -1.33 0.00 0.00 58.87 57.12 3i5k n SER 347 Cb 0.03 -2.83 0.01 0.00 -0.75 0.00 0.00 64.21 60.67 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 -2.45 0.46 -1.52 -1.46 0.00 0.11 -4.56 120.51 111.08 3i5k n ALA 348 Ca -0.08 -2.37 -0.33 0.00 0.00 0.00 0.00 53.44 50.66 3i5k n ALA 348 Cb 0.57 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.53 2.83 0.41 0.00 0.04 -1.26 -3.66 135.00 132.83 3i5k s PRO 349 Ca 0.32 1.39 -0.21 0.00 0.04 0.00 0.00 61.00 62.55 3i5k s PRO 349 Cb 0.25 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.73 3i5k s PRO 349 CO -0.13 -1.23 0.93 -1.25 0.04 0.00 0.00 177.00 175.36 3i5k s PRO 350 N -4.07 4.23 0.00 0.56 0.04 -1.26 -0.96 135.00 133.54 3i5k s PRO 350 Ca 0.67 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3i5k s PRO 350 Cb -0.21 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3i5k s PRO 350 CO 0.41 0.00 0.04 0.41 0.04 0.00 0.00 177.00 177.91 3i5k n GLY 351 N -0.55 0.95 3.80 0.56 0.00 0.29 -4.28 105.19 105.96 3i5k n GLY 351 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3i5k n GLY 351 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i5k s ASP 352 N -1.50 5.77 0.49 1.61 3.84 -1.26 -4.94 116.67 120.68 3i5k s ASP 352 Ca 0.00 0.17 -0.24 0.00 -0.00 0.00 0.00 52.55 52.49 3i5k s ASP 352 Cb 0.00 -1.68 -0.07 0.00 -1.38 0.00 0.00 42.92 39.79 3i5k s ASP 352 CO 0.00 0.27 1.35 -2.16 -0.00 0.00 0.00 175.17 174.63 3i5k s PRO 353 N -1.77 3.50 0.53 2.11 0.04 -1.26 -4.44 135.00 133.71 3i5k s PRO 353 Ca 0.23 2.22 -0.19 0.00 0.04 0.00 0.00 61.00 63.30 3i5k s PRO 353 Cb -0.12 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.89 3i5k s PRO 353 CO 0.15 -0.90 1.11 -1.25 0.04 0.00 0.00 177.00 176.15 3i5k s PRO 354 N -2.65 3.43 -0.05 0.56 0.04 -1.26 -5.00 135.00 130.07 3i5k s PRO 354 Ca 0.65 1.56 0.04 0.00 0.04 0.00 0.00 61.00 63.29 3i5k s PRO 354 Cb -0.40 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.12 3i5k s PRO 354 CO 0.49 -0.78 -0.18 1.03 0.04 0.00 0.00 177.00 177.61 3i5k s ARG 355 N -3.29 1.95 0.19 4.56 0.52 -1.26 -4.98 118.95 116.64 3i5k s ARG 355 Ca 0.72 -0.62 -0.31 0.00 -0.52 0.00 0.00 55.73 55.00 3i5k s ARG 355 Cb -0.22 -1.64 -0.09 0.00 0.52 0.00 0.00 34.95 33.51 3i5k s ARG 355 CO 0.26 0.21 1.44 -2.14 0.02 0.00 0.00 175.30 175.09 3i5k s PRO 356 N 0.16 4.28 -0.05 3.54 0.02 -1.26 -4.54 135.00 137.16 3i5k s PRO 356 Ca -0.07 2.23 0.04 0.00 0.02 0.00 0.00 61.00 63.22 3i5k s PRO 356 Cb -0.13 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.23 3i5k s PRO 356 CO 0.03 -0.45 -0.16 -1.21 -0.33 0.00 0.00 177.00 174.88 3i5k s GLU 357 N 0.38 1.79 -0.07 5.54 2.02 0.24 -4.97 118.70 123.63 3i5k s GLU 357 Ca 0.63 -0.58 0.10 0.00 0.02 0.00 0.00 54.97 55.14 3i5k s GLU 357 Cb -0.40 -1.53 0.23 0.00 0.10 0.00 0.00 34.13 32.53 3i5k s GLU 357 CO 0.36 0.21 1.16 0.66 0.02 0.00 0.00 175.26 177.67 3i5k n TYR 358 N 3.26 0.25 -4.35 1.61 4.01 -1.26 -0.72 117.16 119.96 3i5k n TYR 358 Ca -0.19 -0.71 -0.25 0.00 -0.16 0.00 0.00 57.90 56.59 3i5k n TYR 358 Cb 0.53 -0.12 -0.17 0.00 -0.31 0.00 0.00 39.34 39.27 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 -1.70 1.89 0.31 7.72 1.01 -1.26 -5.01 116.67 119.62 3i5k s ASP 359 Ca 0.21 -0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.18 3i5k s ASP 359 Cb 0.16 -0.82 0.54 0.00 1.01 0.00 0.00 42.92 43.81 3i5k s ASP 359 CO 0.05 -0.02 1.94 0.25 0.21 0.00 0.00 175.17 177.60 3i5k h LEU 360 N 7.37 0.88 -1.04 1.23 5.85 -1.97 -1.70 115.31 125.93 3i5k h LEU 360 Ca -0.31 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3i5k h LEU 360 Cb 1.17 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3i5k h LEU 360 CO 0.46 0.59 0.00 1.05 -0.34 0.00 0.00 178.44 180.19 3i5k h GLU 361 N 1.01 0.00 0.00 1.25 4.11 -1.97 -0.10 114.58 118.89 3i5k h GLU 361 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 3i5k h GLU 361 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i5k h GLU 361 CO -0.12 0.00 -0.63 -0.07 0.07 0.00 0.00 179.01 178.27 3i5k h LEU 362 N 0.00 0.00 -9.23 3.06 3.38 -1.63 -3.42 115.31 107.46 3i5k h LEU 362 Ca 0.00 -0.08 -0.56 0.00 0.09 0.00 0.00 57.88 57.33 3i5k h LEU 362 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i5k h LEU 362 CO 0.00 0.04 0.93 -0.63 0.09 0.00 0.00 178.44 178.87 3i5k s ILE 363 N -3.25 3.98 -0.21 1.22 -1.09 -0.05 -5.01 121.20 116.80 3i5k s ILE 363 Ca 0.04 1.23 -0.02 0.00 -2.23 0.00 0.00 60.65 59.67 3i5k s ILE 363 Cb 0.10 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3i5k s ILE 363 CO 0.73 -0.08 -0.10 0.42 -1.23 0.00 0.00 174.94 174.68 3i5k s THR 364 N 3.35 2.82 -0.30 2.92 -4.23 -1.26 -4.42 115.64 114.52 3i5k s THR 364 Ca 0.62 -0.72 -0.10 0.00 -1.18 0.00 0.00 61.69 60.31 3i5k s THR 364 Cb -0.27 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 3i5k s THR 364 CO 0.22 0.44 0.16 -0.55 -0.54 0.00 0.00 174.62 174.34 3i5k s SER 365 N 1.39 5.59 -1.42 3.99 0.15 -0.04 -4.56 113.70 118.80 3i5k s SER 365 Ca 0.05 -0.44 -0.09 0.00 0.70 0.00 0.00 55.95 56.17 3i5k s SER 365 Cb -0.14 -2.02 0.04 0.00 -1.71 0.00 0.00 66.02 62.20 3i5k s SER 365 CO -0.07 -0.17 0.97 0.00 1.20 0.00 0.00 173.24 175.17 3i5k n SER 367 N -2.95 0.00 -4.87 0.00 7.64 -1.26 -5.00 113.62 107.18 3i5k n SER 367 Ca -0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.50 3i5k n SER 367 Cb 0.58 -0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.76 6.08 0.11 6.43 0.01 -0.35 -4.45 113.70 118.77 3i5k s SER 368 Ca 0.00 0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.47 3i5k s SER 368 Cb 0.00 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 3i5k s SER 368 CO 0.00 0.19 -0.05 0.54 0.41 0.00 0.00 173.24 174.33 3i5k s ASN 369 N -2.34 1.11 0.04 2.44 4.22 -0.45 -0.86 114.94 119.10 3i5k s ASN 369 Ca 0.31 -1.03 -0.26 0.00 -2.14 0.00 0.00 52.86 49.75 3i5k s ASN 369 Cb -0.13 0.11 -0.05 0.00 1.28 0.00 0.00 41.25 42.46 3i5k s ASN 369 CO 0.24 -0.49 0.80 -0.69 -2.04 0.00 0.00 177.10 174.92 3i5k s VAL 370 N -3.65 4.74 0.31 3.54 1.01 -1.26 -1.12 120.40 123.97 3i5k s VAL 370 Ca 0.13 1.69 0.03 0.00 0.00 0.00 0.00 61.98 63.83 3i5k s VAL 370 Cb 0.05 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3i5k s VAL 370 CO -0.04 0.34 0.10 -0.55 0.00 0.00 0.00 175.10 174.95 3i5k s SER 371 N 0.10 1.88 -0.01 3.32 0.15 -0.45 -4.44 113.70 114.26 3i5k s SER 371 Ca 0.40 -1.46 0.05 0.00 0.70 0.00 0.00 55.95 55.64 3i5k s SER 371 Cb -0.21 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 3i5k s SER 371 CO 0.24 -0.75 -0.14 0.54 1.20 0.00 0.00 173.24 174.32 3i5k s VAL 372 N -3.50 1.14 0.22 4.45 0.11 -1.26 -1.46 120.40 120.10 3i5k s VAL 372 Ca 0.35 -0.66 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 3i5k s VAL 372 Cb 0.07 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 3i5k s VAL 372 CO 0.15 0.29 0.19 0.00 -3.33 0.00 0.00 175.10 172.40 3i5k n ALA 373 N 2.63 0.47 -2.69 1.54 0.00 -0.47 -3.42 120.51 118.58 3i5k n ALA 373 Ca -0.15 -1.28 -0.35 0.00 0.00 0.00 0.00 53.44 51.67 3i5k n ALA 373 Cb 0.55 1.04 -0.09 0.00 0.00 0.00 0.00 19.45 20.95 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 3.60 0.00 0.00 1.43 -0.15 -0.59 118.68 122.97 3i5k s LEU 374 Ca 0.26 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 3i5k s LEU 374 Cb 0.01 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.37 3i5k s LEU 374 CO 0.19 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.74 3i5k n GLY 375 N 2.03 1.91 3.70 -3.19 0.00 0.04 -0.48 105.19 109.19 3i5k n GLY 375 Ca -0.18 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 3i5k n GLY 375 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i5k n PRO 376 N -0.91 0.39 -0.50 1.61 -0.02 -1.26 -2.05 135.00 132.26 3i5k n PRO 376 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3i5k n PRO 376 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 3i5k n PRO 376 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i5k n ARG 377 N -2.95 0.00 -1.02 -0.52 5.12 -1.26 -3.54 116.66 112.49 3i5k n ARG 377 Ca 0.14 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 56.05 3i5k n ARG 377 Cb 0.50 -2.82 -0.00 0.00 -1.16 0.00 0.00 32.46 28.98 3i5k n ARG 377 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i5k n GLY 378 N -2.00 0.46 3.78 -0.13 0.00 -0.87 -5.03 105.19 101.39 3i5k n GLY 378 Ca 0.00 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.58 4.47 0.07 1.61 0.52 -1.23 -4.77 118.95 118.04 3i5k s ARG 379 Ca 0.00 1.45 -0.31 0.00 -0.52 0.00 0.00 55.73 56.36 3i5k s ARG 379 Cb 0.00 -2.79 -0.08 0.00 0.52 0.00 0.00 34.95 32.61 3i5k s ARG 379 CO 0.00 0.15 1.54 1.03 0.02 0.00 0.00 175.30 178.04 3i5k s ARG 380 N -2.08 4.24 -0.06 3.54 0.52 -1.26 -0.78 118.95 123.06 3i5k s ARG 380 Ca 0.51 2.20 0.04 0.00 -0.52 0.00 0.00 55.73 57.97 3i5k s ARG 380 Cb -0.22 -3.50 -0.00 0.00 0.52 0.00 0.00 34.95 31.76 3i5k s ARG 380 CO 0.27 -0.64 -0.19 1.03 0.02 0.00 0.00 175.30 175.79 3i5k s ARG 381 N 2.21 2.20 0.03 3.54 1.81 0.24 -4.88 118.95 124.10 3i5k s ARG 381 Ca 0.70 -0.69 -0.04 0.00 -1.72 0.00 0.00 55.73 53.98 3i5k s ARG 381 Cb -0.38 -1.81 -0.04 0.00 -0.45 0.00 0.00 34.95 32.27 3i5k s ARG 381 CO 0.30 0.22 0.24 0.71 -0.68 0.00 0.00 175.30 176.09 3i5k s TYR 382 N 0.18 3.54 0.16 -0.53 2.02 -1.26 -1.37 117.35 120.09 3i5k s TYR 382 Ca -0.09 0.43 -0.15 0.00 -0.37 0.00 0.00 57.07 56.89 3i5k s TYR 382 Cb -0.14 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3i5k s TYR 382 CO 0.04 0.60 0.42 1.52 -1.57 0.00 0.00 175.55 176.56 3i5k s TYR 383 N -1.40 -0.07 -0.09 2.71 -0.85 -0.53 -4.99 117.35 112.13 3i5k s TYR 383 Ca 0.31 -0.27 -0.17 0.00 -0.52 0.00 0.00 57.07 56.42 3i5k s TYR 383 Cb -0.13 0.25 -0.05 0.00 0.38 0.00 0.00 41.96 42.42 3i5k s TYR 383 CO 0.21 -0.78 0.44 -1.17 -1.52 0.00 0.00 175.55 172.73 3i5k s LEU 384 N -2.86 4.33 0.00 -3.49 2.96 -1.26 -1.34 118.68 117.02 3i5k s LEU 384 Ca 0.08 0.82 0.06 0.00 -0.22 0.00 0.00 54.13 54.86 3i5k s LEU 384 Cb 0.01 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 3i5k s LEU 384 CO -0.07 0.10 0.20 1.07 -1.32 0.00 0.00 176.35 176.33 3i5k n THR 385 N 3.17 0.00 -3.78 3.68 5.66 -0.28 -4.78 114.28 117.95 3i5k n THR 385 Ca -0.09 -1.75 -0.05 0.00 -3.05 0.00 0.00 64.05 59.10 3i5k n THR 385 Cb 0.52 0.87 -0.02 0.00 -1.55 0.00 0.00 70.33 70.15 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 -2.98 1.41 0.14 1.09 1.70 -1.26 -1.34 118.95 117.71 3i5k s ARG 386 Ca 0.28 -0.77 -0.31 0.00 -0.47 0.00 0.00 55.73 54.46 3i5k s ARG 386 Cb 0.01 0.49 -0.10 0.00 -0.57 0.00 0.00 34.95 34.78 3i5k s ARG 386 CO 0.20 -0.65 1.67 0.34 -1.08 0.00 0.00 175.30 175.78 3i5k s ASP 387 N -2.92 6.52 0.00 -2.89 3.68 -1.26 -4.90 116.67 114.90 3i5k s ASP 387 Ca 0.11 2.66 0.26 0.00 2.13 0.00 0.00 52.55 57.71 3i5k s ASP 387 Cb -0.03 -2.58 1.17 0.00 -1.45 0.00 0.00 42.92 40.03 3i5k s ASP 387 CO 0.04 -0.90 1.80 -0.81 0.13 0.00 0.00 175.17 175.42 3i5k n PRO 388 N 4.72 1.43 0.07 4.34 -0.04 -1.26 -4.35 135.00 139.90 3i5k n PRO 388 Ca 0.15 -0.64 -0.14 0.00 -0.04 0.00 0.00 63.50 62.84 3i5k n PRO 388 Cb 0.38 -1.43 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 3i5k n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3i5k h THR 389 N 1.43 0.11 -0.20 0.52 2.02 -1.92 0.00 112.91 114.86 3i5k h THR 389 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3i5k h THR 389 Cb 0.31 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3i5k h THR 389 CO 0.00 0.00 -0.05 0.74 0.37 0.00 0.00 175.52 176.58 3i5k h THR 390 N -0.62 1.29 -0.82 3.16 2.02 -1.95 -1.29 112.91 114.69 3i5k h THR 390 Ca 0.03 -1.04 0.20 0.00 0.77 0.00 0.00 66.41 66.37 3i5k h THR 390 Cb 0.68 1.56 -0.13 0.00 -1.74 0.00 0.00 68.15 68.52 3i5k h THR 390 CO -0.32 0.32 0.22 -0.65 0.37 0.00 0.00 175.52 175.45 3i5k h PRO 391 N 0.11 0.25 -0.36 6.66 0.11 -1.80 -2.07 132.00 134.90 3i5k h PRO 391 Ca 0.05 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 3i5k h PRO 391 Cb 0.50 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3i5k h PRO 391 CO 0.02 0.16 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.76 3i5k h LEU 392 N 0.25 0.75 -0.87 2.35 3.38 -0.53 -0.31 115.31 120.33 3i5k h LEU 392 Ca 0.49 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i5k h LEU 392 Cb 0.91 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3i5k h LEU 392 CO -0.58 0.97 0.56 0.00 0.09 0.00 0.00 178.44 179.48 3i5k h ALA 393 N 0.80 1.10 -0.35 1.53 0.00 -1.07 -1.41 119.26 119.86 3i5k h ALA 393 Ca 0.08 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3i5k h ALA 393 Cb 0.68 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i5k h ALA 393 CO 0.05 0.53 -0.46 0.00 0.00 0.00 0.00 179.25 179.37 3i5k h ARG 394 N 1.18 0.92 -0.83 0.00 3.08 -1.30 -2.23 114.38 115.20 3i5k h ARG 394 Ca 0.32 -0.52 0.09 0.00 0.07 0.00 0.00 59.98 59.93 3i5k h ARG 394 Cb -0.11 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 29.91 3i5k h ARG 394 CO -0.07 1.17 0.48 0.00 -1.07 0.00 0.00 179.97 180.48 3i5k h ALA 395 N 0.74 1.17 -0.33 0.04 0.00 -0.70 0.97 119.26 121.15 3i5k h ALA 395 Ca 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3i5k h ALA 395 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3i5k h ALA 395 CO 0.11 0.11 0.02 0.00 0.00 0.00 0.00 179.25 179.49 3i5k h ALA 396 N 1.45 0.44 -0.21 0.00 0.00 -1.17 -1.50 119.26 118.27 3i5k h ALA 396 Ca 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3i5k h ALA 396 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i5k h ALA 396 CO -0.24 0.17 0.07 2.35 0.00 0.00 0.00 179.25 181.60 3i5k h TRP 397 N 0.38 0.34 0.00 0.00 2.91 -1.06 -2.73 115.95 115.79 3i5k h TRP 397 Ca 0.10 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3i5k h TRP 397 Cb 0.40 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 3i5k h TRP 397 CO 0.03 0.41 0.00 0.39 -1.03 0.00 0.00 178.44 178.24 3i5k n GLU 398 N -4.79 0.08 0.07 2.65 1.02 0.31 -0.85 120.64 119.13 3i5k n GLU 398 Ca -0.04 0.32 -0.20 0.00 -0.02 0.00 0.00 57.16 57.22 3i5k n GLU 398 Cb 0.15 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 29.80 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 1.30 0.00 2.62 2.02 -0.95 -3.38 112.91 114.52 3i5k h THR 399 Ca 0.00 -2.38 -0.24 0.00 0.77 0.00 0.00 66.41 64.56 3i5k h THR 399 Cb 0.30 2.53 -0.05 0.00 -1.74 0.00 0.00 68.15 69.20 3i5k h THR 399 CO 0.00 0.73 -2.04 0.55 0.37 0.00 0.00 175.52 175.13 3i5k n VAL 400 N -3.81 1.08 -4.03 3.16 3.14 -1.06 -4.80 118.33 112.03 3i5k n VAL 400 Ca -0.12 -0.74 -0.33 0.00 -2.96 0.00 0.00 64.34 60.19 3i5k n VAL 400 Cb 0.93 -0.48 -0.15 0.00 -1.06 0.00 0.00 33.84 33.08 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 -2.80 2.40 -0.05 1.45 1.81 -0.03 -5.09 118.95 116.64 3i5k s ARG 401 Ca -0.08 -1.25 -0.30 0.00 -1.72 0.00 0.00 55.73 52.39 3i5k s ARG 401 Cb 0.08 -2.93 -0.05 0.00 -0.45 0.00 0.00 34.95 31.60 3i5k s ARG 401 CO 0.84 -0.53 1.53 -1.58 -0.68 0.00 0.00 175.30 174.88 3i5k s HIS 402 N 1.17 2.37 -0.21 -0.53 5.65 -1.26 -4.12 115.29 118.36 3i5k s HIS 402 Ca -0.06 0.48 -0.10 0.00 0.25 0.00 0.00 55.06 55.63 3i5k s HIS 402 Cb -0.19 -3.80 -0.05 0.00 -1.18 0.00 0.00 32.58 27.36 3i5k s HIS 402 CO -0.05 -3.18 0.14 -1.12 -0.65 0.00 0.00 174.74 169.88 3i5k s SER 403 N 2.68 6.20 0.39 9.88 0.01 -1.26 -5.00 113.70 126.60 3i5k s SER 403 Ca 0.68 0.21 0.06 0.00 1.31 0.00 0.00 55.95 58.22 3i5k s SER 403 Cb -0.32 -2.10 0.80 0.00 0.21 0.00 0.00 66.02 64.62 3i5k s SER 403 CO 0.27 0.15 2.03 1.55 0.41 0.00 0.00 173.24 177.65 3i5k h PRO 404 N 6.85 0.56 -4.86 12.44 0.13 -1.94 -3.34 132.00 141.85 3i5k h PRO 404 Ca -0.40 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.01 3i5k h PRO 404 Cb 1.15 -0.12 -0.37 0.00 0.13 0.00 0.00 31.00 31.80 3i5k h PRO 404 CO 0.74 0.40 -0.80 0.42 -0.23 0.00 0.00 178.00 178.52 3i5k s ILE 405 N -5.44 2.13 0.69 -3.56 -1.09 -1.26 -4.25 121.20 108.42 3i5k s ILE 405 Ca -0.08 -1.56 -0.01 0.00 -2.23 0.00 0.00 60.65 56.77 3i5k s ILE 405 Cb 0.17 -2.22 0.11 0.00 -1.58 0.00 0.00 42.46 38.94 3i5k s ILE 405 CO 0.74 0.02 0.96 0.54 -1.23 0.00 0.00 174.94 175.96 3i5k s ASN 406 N 1.13 4.53 -0.09 3.58 2.20 -0.33 -4.80 114.94 121.15 3i5k s ASN 406 Ca -0.08 -0.27 0.04 0.00 -0.94 0.00 0.00 52.86 51.62 3i5k s ASN 406 Cb -0.19 -0.21 -0.09 0.00 -2.00 0.00 0.00 41.25 38.76 3i5k s ASN 406 CO -0.06 -1.73 -0.03 -1.54 -2.94 0.00 0.00 177.10 170.81 3i5k n SER 407 N -2.75 3.05 -0.29 3.54 3.41 -1.26 -1.55 113.62 117.77 3i5k n SER 407 Ca 0.13 -0.03 0.07 0.00 -0.26 0.00 0.00 58.87 58.79 3i5k n SER 407 Cb 0.60 0.29 0.30 0.00 -0.26 0.00 0.00 64.21 65.14 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 0.96 -0.24 7.33 5.08 -1.91 -1.12 115.95 126.05 3i5k h TRP 408 Ca -0.23 0.03 -0.15 0.00 1.08 0.00 0.00 58.89 59.62 3i5k h TRP 408 Cb 1.45 -0.31 -0.01 0.00 -3.00 0.00 0.00 29.16 27.29 3i5k h TRP 408 CO 0.01 0.44 -0.45 1.25 -1.28 0.00 0.00 178.44 178.41 3i5k h LEU 409 N 0.89 0.67 -0.62 0.11 5.85 -1.94 -0.95 115.31 119.32 3i5k h LEU 409 Ca 0.41 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3i5k h LEU 409 Cb 0.41 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3i5k h LEU 409 CO -0.18 1.02 0.36 1.23 -0.34 0.00 0.00 178.44 180.54 3i5k h GLY 410 N 1.01 0.92 0.97 3.75 0.00 -1.45 -2.04 103.07 106.23 3i5k h GLY 410 Ca 0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3i5k h GLY 410 CO 0.09 0.38 0.14 3.43 0.00 0.00 0.00 176.54 180.59 3i5k h ASN 411 N 0.85 0.72 -0.58 0.19 -0.26 -1.01 0.14 115.58 115.63 3i5k h ASN 411 Ca 0.22 -0.21 0.06 0.00 -0.56 0.00 0.00 56.30 55.81 3i5k h ASN 411 Cb 0.01 -0.19 -0.05 0.00 -1.06 0.00 0.00 38.32 37.02 3i5k h ASN 411 CO -0.04 0.75 0.28 0.40 -1.06 0.00 0.00 177.43 177.76 3i5k h ILE 412 N 0.66 0.91 -0.01 2.81 2.04 -1.06 0.15 117.51 123.02 3i5k h ILE 412 Ca 0.16 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3i5k h ILE 412 Cb 0.29 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3i5k h ILE 412 CO -0.00 0.10 -0.02 0.40 0.00 0.00 0.00 178.15 178.63 3i5k h ILE 413 N 0.53 1.41 -0.79 -0.67 2.04 -1.11 -0.72 117.51 118.19 3i5k h ILE 413 Ca 0.27 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 3i5k h ILE 413 Cb 0.22 2.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 3i5k h ILE 413 CO -0.21 0.33 0.34 1.56 0.00 0.00 0.00 178.15 180.17 3i5k h GLN 414 N -0.47 1.17 -0.30 2.37 4.20 -0.66 -3.29 115.11 118.13 3i5k h GLN 414 Ca 0.00 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.42 3i5k h GLN 414 Cb 0.54 -0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 3i5k h GLN 414 CO 0.00 0.93 -0.02 0.66 -0.67 0.00 0.00 178.83 179.73 3i5k n TYR 415 N -4.31 0.99 -0.32 2.96 4.01 0.53 -4.81 117.16 116.22 3i5k n TYR 415 Ca 0.07 -1.24 0.19 0.00 -0.16 0.00 0.00 57.90 56.76 3i5k n TYR 415 Cb 0.17 -0.40 0.38 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.31 1.63 0.00 -0.72 0.00 -1.20 0.21 119.26 120.49 3i5k h ALA 416 Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3i5k h ALA 416 Cb 1.55 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3i5k h ALA 416 CO 0.30 -0.51 0.00 -0.35 0.00 0.00 0.00 179.25 178.69 3i5k n PRO 417 N -5.13 0.65 -2.51 0.00 -0.04 -1.26 -4.47 135.00 122.24 3i5k n PRO 417 Ca 0.27 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.39 3i5k n PRO 417 Cb 0.83 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 3i5k n PRO 417 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3i5k s THR 418 N -2.33 3.71 0.41 0.52 -4.23 0.06 -4.90 115.64 108.87 3i5k s THR 418 Ca 0.36 1.12 0.08 0.00 -1.18 0.00 0.00 61.69 62.06 3i5k s THR 418 Cb 0.20 -3.48 0.23 0.00 1.34 0.00 0.00 72.50 70.79 3i5k s THR 418 CO 0.41 -0.17 2.02 -0.29 -0.54 0.00 0.00 174.62 176.04 3i5k h ILE 419 N 1.68 1.12 0.01 2.99 2.10 -1.90 -2.32 117.51 121.19 3i5k h ILE 419 Ca -0.49 -0.36 -0.19 0.00 1.08 0.00 0.00 64.86 64.89 3i5k h ILE 419 Cb 1.22 0.74 -0.02 0.00 -1.09 0.00 0.00 36.82 37.68 3i5k h ILE 419 CO 0.60 0.14 -0.88 4.11 -1.08 0.00 0.00 178.15 181.04 3i5k h TRP 420 N 0.43 0.12 0.06 2.19 5.08 -1.92 -1.29 115.95 120.62 3i5k h TRP 420 Ca 0.11 -0.07 -0.00 0.00 1.08 0.00 0.00 58.89 60.01 3i5k h TRP 420 Cb 0.08 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.23 3i5k h TRP 420 CO 0.00 0.91 -0.03 0.28 -1.28 0.00 0.00 178.44 178.33 3i5k h VAL 421 N 0.04 1.24 0.08 0.12 2.07 -1.77 -2.31 116.25 115.72 3i5k h VAL 421 Ca -0.03 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 3i5k h VAL 421 Cb 1.53 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3i5k h VAL 421 CO 0.12 0.27 -0.04 0.03 0.02 0.00 0.00 177.57 177.97 3i5k h ARG 422 N -0.58 -0.11 0.12 1.57 3.08 -1.40 0.17 114.38 117.23 3i5k h ARG 422 Ca -0.01 0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 3i5k h ARG 422 Cb 0.50 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3i5k h ARG 422 CO 0.01 -0.01 -1.41 0.52 -1.07 0.00 0.00 179.97 178.01 3i5k h MET 423 N -0.17 0.26 0.00 0.04 2.86 -1.39 -3.36 114.93 113.17 3i5k h MET 423 Ca -0.01 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 3i5k h MET 423 Cb 0.14 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3i5k h MET 423 CO 0.02 1.15 -0.71 0.28 1.06 0.00 0.00 176.91 178.71 3i5k n VAL 424 N -3.48 1.17 -0.11 -2.22 0.31 -0.91 -4.29 118.33 108.80 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 1.04 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 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 -0.71 0.58 -0.17 7.52 4.07 -1.02 -0.65 115.31 124.94 3i5k h LEU 425 Ca 0.00 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 3i5k h LEU 425 Cb 0.71 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3i5k h LEU 425 CO 0.00 0.77 0.07 0.24 -1.08 0.00 0.00 178.44 178.44 3i5k h MET 426 N 0.38 0.25 -0.04 1.13 2.86 -0.85 -1.23 114.93 117.43 3i5k h MET 426 Ca 0.09 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3i5k h MET 426 Cb 0.48 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3i5k h MET 426 CO 0.02 0.31 -0.07 1.15 1.06 0.00 0.00 176.91 179.38 3i5k h THR 427 N 0.13 0.81 0.16 2.22 2.02 -1.69 -1.04 112.91 115.53 3i5k h THR 427 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3i5k h THR 427 Cb 0.14 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3i5k h THR 427 CO -0.01 0.00 -0.08 -0.74 0.37 0.00 0.00 175.52 175.07 3i5k h HIS 428 N -0.10 -0.20 -0.00 3.16 6.17 -1.03 -1.90 115.15 121.25 3i5k h HIS 428 Ca 0.04 -0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.92 3i5k h HIS 428 Cb 0.16 0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.14 3i5k h HIS 428 CO -0.16 -0.11 -0.87 0.74 0.71 0.00 0.00 177.93 178.24 3i5k h PHE 429 N -0.22 0.33 -0.29 5.26 0.04 -1.16 -0.95 116.94 119.96 3i5k h PHE 429 Ca -0.02 -0.18 -0.10 0.00 2.80 0.00 0.00 57.97 60.47 3i5k h PHE 429 Cb 0.17 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3i5k h PHE 429 CO -0.06 0.98 -0.24 0.74 -0.60 0.00 0.00 178.31 179.14 3i5k h PHE 430 N 0.13 0.61 0.38 -0.55 -1.00 -1.22 -0.20 116.94 115.09 3i5k h PHE 430 Ca -0.05 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.59 3i5k h PHE 430 Cb 1.49 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.89 3i5k h PHE 430 CO 0.03 0.74 -0.24 1.03 -1.61 0.00 0.00 178.31 178.26 3i5k h SER 431 N 0.48 -0.60 -0.78 2.17 0.87 -1.11 -2.58 113.55 112.00 3i5k h SER 431 Ca 0.07 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3i5k h SER 431 Cb 0.67 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 3i5k h SER 431 CO 0.05 -0.38 0.49 0.40 -0.53 0.00 0.00 176.83 176.86 3i5k h ILE 432 N -0.59 1.11 -0.54 2.23 1.08 -1.04 -0.75 117.51 119.00 3i5k h ILE 432 Ca -0.04 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 3i5k h ILE 432 Cb 0.49 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 3i5k h ILE 432 CO 0.03 0.17 0.24 -0.07 -0.69 0.00 0.00 178.15 177.84 3i5k h LEU 433 N 0.96 0.68 -0.26 1.44 3.38 -1.03 -0.34 115.31 120.14 3i5k h LEU 433 Ca 0.32 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 58.01 3i5k h LEU 433 Cb 0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3i5k h LEU 433 CO -0.12 0.59 -0.74 0.24 0.09 0.00 0.00 178.44 178.50 3i5k h MET 434 N 0.76 0.67 -0.77 1.13 2.86 -0.99 0.23 114.93 118.82 3i5k h MET 434 Ca 0.19 -0.54 0.07 0.00 -2.06 0.00 0.00 59.70 57.36 3i5k h MET 434 Cb 0.10 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 3i5k h MET 434 CO -0.02 1.15 0.45 0.28 1.06 0.00 0.00 176.91 179.83 3i5k h VAL 435 N 0.46 0.99 -0.00 -2.22 2.07 -0.64 -2.70 116.25 114.21 3i5k h VAL 435 Ca -0.04 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3i5k h VAL 435 Cb 1.35 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3i5k h VAL 435 CO 0.15 0.15 -0.42 0.00 0.02 0.00 0.00 177.57 177.46 3i5k n GLN 436 N -4.72 0.21 -3.73 1.57 6.02 -0.18 -4.96 117.38 111.59 3i5k n GLN 436 Ca 0.11 -0.12 -0.24 0.00 -0.01 0.00 0.00 57.00 56.74 3i5k n GLN 436 Cb 0.19 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.29 -3.19 -0.75 1.08 2.03 -0.06 -4.93 116.55 109.44 3i5k n ASP 437 Ca 0.07 -0.75 0.06 0.00 0.52 0.00 0.00 54.79 54.69 3i5k n ASP 437 Cb 0.34 -4.25 0.15 0.00 -0.72 0.00 0.00 41.12 36.65 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 -4.50 1.62 -0.13 5.18 -2.24 -0.45 -4.86 114.28 108.90 3i5k n THR 438 Ca -0.14 -2.56 -0.04 0.00 -2.27 0.00 0.00 64.05 59.04 3i5k n THR 438 Cb 0.61 0.06 0.03 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.87 -0.31 -7.07 3.22 3.38 -1.92 -3.30 115.31 110.18 3i5k h LEU 439 Ca -0.05 0.12 -0.76 0.00 0.09 0.00 0.00 57.88 57.28 3i5k h LEU 439 Cb 1.21 0.23 -0.19 0.00 0.09 0.00 0.00 40.66 42.00 3i5k h LEU 439 CO 0.02 -0.11 1.47 -0.67 0.09 0.00 0.00 178.44 179.24 3i5k n ASP 440 N -5.28 5.36 -3.59 -0.43 2.03 -1.26 -4.25 116.55 109.14 3i5k n ASP 440 Ca 0.03 -3.10 -0.02 0.00 0.52 0.00 0.00 54.79 52.23 3i5k n ASP 440 Cb 0.24 -1.47 -0.05 0.00 -0.72 0.00 0.00 41.12 39.11 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 0.20 0.51 0.32 -0.67 0.74 -1.25 -5.10 119.66 114.41 3i5k s GLN 441 Ca 0.39 1.16 -0.29 0.00 0.05 0.00 0.00 55.36 56.66 3i5k s GLN 441 Cb 0.03 0.56 -0.11 0.00 1.10 0.00 0.00 33.01 34.58 3i5k s GLN 441 CO 0.01 -0.15 1.57 -0.80 -0.55 0.00 0.00 175.29 175.36 3i5k s ASN 442 N 2.41 6.35 0.02 6.67 0.01 -1.26 -4.31 114.94 124.82 3i5k s ASN 442 Ca -0.06 3.00 0.08 0.00 -0.71 0.00 0.00 52.86 55.16 3i5k s ASN 442 Cb -0.08 -2.65 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 3i5k s ASN 442 CO -0.18 -0.92 -0.23 -0.76 -1.51 0.00 0.00 177.10 173.51 3i5k s LEU 443 N -1.00 2.12 0.10 0.60 1.43 -0.35 -4.92 118.68 116.65 3i5k s LEU 443 Ca 0.60 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.99 3i5k s LEU 443 Cb -0.48 -1.10 -0.07 0.00 0.03 0.00 0.00 46.19 44.57 3i5k s LEU 443 CO 0.53 0.22 0.65 0.20 0.23 0.00 0.00 176.35 178.18 3i5k s ASN 444 N -0.97 7.17 0.10 2.29 0.02 -1.26 -1.90 114.94 120.39 3i5k s ASN 444 Ca 0.09 1.39 -0.10 0.00 -1.02 0.00 0.00 52.86 53.22 3i5k s ASN 444 Cb -0.09 -2.41 0.00 0.00 0.02 0.00 0.00 41.25 38.77 3i5k s ASN 444 CO 0.01 0.23 0.23 0.72 0.02 0.00 0.00 177.10 178.30 3i5k s PHE 445 N -1.00 0.09 -0.08 2.20 -0.12 -0.29 -1.19 117.98 117.59 3i5k s PHE 445 Ca 0.32 -0.51 -0.13 0.00 -0.05 0.00 0.00 56.93 56.56 3i5k s PHE 445 Cb -0.21 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.13 3i5k s PHE 445 CO 0.21 -0.57 0.33 -2.00 -0.05 0.00 0.00 175.22 173.14 3i5k s GLU 446 N -3.85 3.97 -0.19 1.99 2.56 -0.60 -0.69 118.70 121.89 3i5k s GLU 446 Ca 0.05 0.22 -0.08 0.00 0.00 0.00 0.00 54.97 55.15 3i5k s GLU 446 Cb 0.04 -3.30 0.08 0.00 2.00 0.00 0.00 34.13 32.95 3i5k s GLU 446 CO -0.11 0.52 0.44 1.41 -0.56 0.00 0.00 175.26 176.96 3i5k s MET 447 N -0.44 0.38 -1.53 4.30 -2.45 -0.30 -4.36 119.30 114.90 3i5k s MET 447 Ca 0.20 0.96 -0.14 0.00 -1.25 0.00 0.00 55.69 55.46 3i5k s MET 447 Cb -0.15 0.19 0.10 0.00 1.25 0.00 0.00 34.83 36.22 3i5k s MET 447 CO 0.08 -0.21 0.86 0.66 1.05 0.00 0.00 175.02 177.47 3i5k n TYR 448 N 4.86 -2.11 -0.96 4.11 4.02 -1.26 -2.56 117.16 123.27 3i5k n TYR 448 Ca -0.15 0.80 0.00 0.00 -0.01 0.00 0.00 57.90 58.54 3i5k n TYR 448 Cb 0.52 -3.64 0.00 0.00 -0.02 0.00 0.00 39.34 36.20 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 -1.55 0.43 3.49 2.72 0.00 -1.26 -4.18 105.19 104.84 3i5k n GLY 449 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.18 2.59 -0.12 1.61 1.04 -1.06 0.44 113.70 116.02 3i5k s SER 450 Ca 0.00 -1.48 -0.07 0.00 0.48 0.00 0.00 55.95 54.89 3i5k s SER 450 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 3i5k s SER 450 CO 0.00 -0.71 0.13 -0.69 0.98 0.00 0.00 173.24 172.95 3i5k s VAL 451 N -3.25 5.44 0.18 5.02 1.01 -0.03 -1.14 120.40 127.62 3i5k s VAL 451 Ca 0.31 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.51 3i5k s VAL 451 Cb 0.07 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3i5k s VAL 451 CO 0.15 0.62 -0.06 -0.31 0.00 0.00 0.00 175.10 175.50 3i5k s TYR 452 N -1.02 1.36 -0.08 5.22 2.02 0.13 -1.35 117.35 123.64 3i5k s TYR 452 Ca 0.15 -0.84 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 3i5k s TYR 452 Cb -0.12 -0.74 0.02 0.00 -0.40 0.00 0.00 41.96 40.72 3i5k s TYR 452 CO 0.04 0.01 -0.10 0.45 -1.57 0.00 0.00 175.55 174.38 3i5k s SER 453 N -3.22 1.82 -0.01 2.29 0.15 -0.34 -1.13 113.70 113.27 3i5k s SER 453 Ca 0.21 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.59 3i5k s SER 453 Cb 0.04 -0.78 0.01 0.00 -1.71 0.00 0.00 66.02 63.58 3i5k s SER 453 CO 0.04 -0.03 0.01 -0.69 1.20 0.00 0.00 173.24 173.76 3i5k s VAL 454 N 1.07 0.01 -0.24 4.45 1.01 -0.80 -3.33 120.40 122.57 3i5k s VAL 454 Ca -0.07 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3i5k s VAL 454 Cb -0.14 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.18 3i5k s VAL 454 CO -0.01 0.04 1.05 0.21 0.00 0.00 0.00 175.10 176.40 3i5k s ASN 455 N 0.43 7.06 0.57 3.32 3.84 -1.26 -1.22 114.94 127.68 3i5k s ASN 455 Ca -0.04 1.33 0.29 0.00 0.21 0.00 0.00 52.86 54.65 3i5k s ASN 455 Cb -0.05 -2.54 1.47 0.00 -0.55 0.00 0.00 41.25 39.58 3i5k s ASN 455 CO -0.01 -0.71 1.93 -0.65 -2.79 0.00 0.00 177.10 174.87 3i5k h PRO 456 N 7.60 0.00 0.00 0.43 0.11 -1.76 0.13 132.00 138.50 3i5k h PRO 456 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3i5k h PRO 456 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3i5k h PRO 456 CO 0.99 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.06 3i5k n LEU 457 N -3.99 0.59 -0.68 2.35 4.77 -1.26 -2.20 117.00 116.59 3i5k n LEU 457 Ca 0.10 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.87 3i5k n LEU 457 Cb 0.69 -0.61 0.36 0.00 -2.33 0.00 0.00 43.42 41.53 3i5k n LEU 457 CO 0.32 -0.60 0.78 0.47 -1.33 0.00 0.00 177.39 177.03 3i5k n ASP 458 N -2.17 2.09 -0.29 -1.43 8.00 0.45 -4.54 116.55 118.67 3i5k n ASP 458 Ca 0.02 -1.71 0.04 0.00 0.71 0.00 0.00 54.79 53.85 3i5k n ASP 458 Cb 0.19 -0.03 0.18 0.00 -0.02 0.00 0.00 41.12 41.45 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 3.18 0.61 -0.41 0.64 3.38 -1.54 -1.87 115.31 119.30 3i5k h LEU 459 Ca 0.00 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3i5k h LEU 459 Cb 0.68 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 3i5k h LEU 459 CO 0.00 0.32 -0.02 -0.65 0.09 0.00 0.00 178.44 178.18 3i5k h PRO 460 N 0.72 0.08 -0.56 1.13 0.11 -1.83 0.51 132.00 132.16 3i5k h PRO 460 Ca 0.42 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.43 3i5k h PRO 460 Cb 0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3i5k h PRO 460 CO -0.29 0.05 0.01 0.00 -0.21 0.00 0.00 178.00 177.57 3i5k h ALA 461 N 1.37 0.76 -0.34 -0.75 0.00 -1.81 -1.60 119.26 116.89 3i5k h ALA 461 Ca 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3i5k h ALA 461 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i5k h ALA 461 CO -0.36 0.58 0.07 0.82 0.00 0.00 0.00 179.25 180.36 3i5k h ILE 462 N 0.87 1.23 -0.35 0.00 2.04 -1.10 -1.46 117.51 118.74 3i5k h ILE 462 Ca 0.16 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 3i5k h ILE 462 Cb 0.53 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3i5k h ILE 462 CO 0.03 0.27 0.02 0.40 0.00 0.00 0.00 178.15 178.86 3i5k h ILE 463 N 0.40 1.25 -0.63 -0.67 2.04 -0.85 -0.73 117.51 118.32 3i5k h ILE 463 Ca 0.10 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.05 3i5k h ILE 463 Cb 0.33 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3i5k h ILE 463 CO 0.00 0.31 0.42 -0.08 0.00 0.00 0.00 178.15 178.80 3i5k h GLU 464 N 0.42 0.83 -0.31 2.37 4.81 -1.28 0.26 114.58 121.67 3i5k h GLU 464 Ca 0.10 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3i5k h GLU 464 Cb 0.42 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3i5k h GLU 464 CO 0.01 0.55 0.07 -0.09 -0.73 0.00 0.00 179.01 178.82 3i5k h ARG 465 N 0.85 0.18 0.14 1.92 9.65 -0.99 0.13 114.38 126.26 3i5k h ARG 465 Ca 0.23 -0.01 -0.29 0.00 -1.10 0.00 0.00 59.98 58.81 3i5k h ARG 465 Cb -0.09 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 28.45 3i5k h ARG 465 CO -0.05 0.12 -1.37 -0.07 2.80 0.00 0.00 179.97 181.40 3i5k h LEU 466 N 0.18 0.48 0.00 3.80 3.38 -0.83 -3.40 115.31 118.92 3i5k h LEU 466 Ca 0.15 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3i5k h LEU 466 Cb 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i5k h LEU 466 CO -0.19 1.44 -0.16 1.41 0.09 0.00 0.00 178.44 181.03 3i5k n HIS 467 N -3.54 0.00 -0.00 1.13 8.25 0.87 -4.64 115.22 117.30 3i5k n HIS 467 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3i5k n HIS 467 Cb 1.04 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.15 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 1.10 -2.37 0.35 -1.41 0.00 0.44 -4.25 105.19 99.04 3i5k n GLY 468 Ca 0.01 -1.47 0.18 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 0.99 3.38 -1.88 -2.32 115.31 113.47 3i5k h LEU 469 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3i5k h LEU 469 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i5k h LEU 469 CO 0.00 0.00 0.25 0.44 0.09 0.00 0.00 178.44 179.22 3i5k h ASP 470 N 0.00 0.00 0.16 -0.43 3.32 -1.96 -1.84 116.42 115.67 3i5k h ASP 470 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i5k h ASP 470 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3i5k h ASP 470 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3i5k h ALA 471 N 1.83 1.00 -0.02 3.45 0.00 -1.59 -0.81 119.26 123.11 3i5k h ALA 471 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i5k h ALA 471 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i5k h ALA 471 CO -0.00 0.00 -0.05 1.19 0.00 0.00 0.00 179.25 180.39 3i5k n PHE 472 N -3.00 0.00 -0.85 0.00 3.72 -0.69 -4.44 117.46 112.20 3i5k n PHE 472 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3i5k n PHE 472 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.74 0.26 -4.71 4.37 7.64 -0.39 -4.57 113.62 116.95 3i5k n SER 473 Ca 0.15 -1.11 -0.43 0.00 1.01 0.00 0.00 58.87 58.49 3i5k n SER 473 Cb 0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.06 2.59 -4.12 1.43 2.81 -0.71 -4.29 117.12 114.78 3i5k n MET 474 Ca 0.00 0.93 -0.14 0.00 -1.81 0.00 0.00 57.70 56.68 3i5k n MET 474 Cb 0.40 -2.74 -0.06 0.00 -0.71 0.00 0.00 33.22 30.11 3i5k n MET 474 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 3i5k s HIS 475 N 0.76 1.08 -1.14 2.03 -3.43 0.37 -4.96 115.29 110.00 3i5k s HIS 475 Ca 0.73 -1.27 -0.22 0.00 -0.80 0.00 0.00 55.06 53.50 3i5k s HIS 475 Cb -0.55 -0.23 -0.01 0.00 -1.43 0.00 0.00 32.58 30.37 3i5k s HIS 475 CO 0.38 -0.98 0.79 2.41 -2.00 0.00 0.00 174.74 175.34 3i5k n THR 476 N -0.49 -5.74 -1.27 -5.38 -1.04 -1.26 -0.97 114.28 98.12 3i5k n THR 476 Ca 0.02 -0.94 -0.32 0.00 -2.04 0.00 0.00 64.05 60.76 3i5k n THR 476 Cb 0.63 -4.26 0.10 0.00 -1.82 0.00 0.00 70.33 64.97 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 -3.46 2.25 0.59 -1.42 2.02 -1.26 -3.67 117.35 112.41 3i5k s TYR 477 Ca 0.48 1.62 -0.17 0.00 -0.37 0.00 0.00 57.07 58.62 3i5k s TYR 477 Cb -0.17 -3.23 -0.03 0.00 -0.40 0.00 0.00 41.96 38.12 3i5k s TYR 477 CO 0.87 -2.18 1.12 -1.54 -1.57 0.00 0.00 175.55 172.24 3i5k s SER 478 N -2.76 5.46 0.22 2.29 1.04 -1.22 -4.84 113.70 113.89 3i5k s SER 478 Ca 0.66 2.09 -0.08 0.00 0.48 0.00 0.00 55.95 59.11 3i5k s SER 478 Cb -0.22 -2.57 0.24 0.00 0.10 0.00 0.00 66.02 63.58 3i5k s SER 478 CO 0.51 -1.40 1.85 0.45 0.98 0.00 0.00 173.24 175.63 3i5k h HIS 479 N 0.68 0.87 -0.91 5.02 3.86 -1.94 -0.64 115.15 122.09 3i5k h HIS 479 Ca -0.49 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 58.79 3i5k h HIS 479 Cb 1.25 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.39 3i5k h HIS 479 CO 0.53 0.47 0.59 0.45 0.86 0.00 0.00 177.93 180.82 3i5k h HIS 480 N 0.88 1.10 0.14 2.45 3.86 -1.99 0.16 115.15 121.75 3i5k h HIS 480 Ca 0.32 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3i5k h HIS 480 Cb 0.09 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.19 3i5k h HIS 480 CO -0.04 0.63 -0.06 1.49 0.86 0.00 0.00 177.93 180.80 3i5k h GLU 481 N 1.14 -0.17 -0.77 2.45 4.57 -1.87 -2.00 114.58 117.93 3i5k h GLU 481 Ca 0.36 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.62 3i5k h GLU 481 Cb 0.01 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 3i5k h GLU 481 CO -0.12 0.23 0.45 -0.07 -1.18 0.00 0.00 179.01 178.32 3i5k h LEU 482 N -0.64 0.67 -0.39 1.64 3.38 -1.00 -1.16 115.31 117.80 3i5k h LEU 482 Ca -0.02 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3i5k h LEU 482 Cb 0.49 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3i5k h LEU 482 CO 0.03 0.42 0.17 0.74 0.09 0.00 0.00 178.44 179.89 3i5k h THR 483 N 0.80 0.93 -0.38 0.22 2.02 -0.70 -1.30 112.91 114.51 3i5k h THR 483 Ca 0.35 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 3i5k h THR 483 Cb 0.23 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3i5k h THR 483 CO -0.20 0.06 0.17 -0.09 0.37 0.00 0.00 175.52 175.83 3i5k h ARG 484 N 0.35 0.55 -0.26 6.66 2.43 -0.70 -1.46 114.38 121.95 3i5k h ARG 484 Ca 0.17 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3i5k h ARG 484 Cb 0.12 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3i5k h ARG 484 CO -0.15 0.51 0.16 0.28 -1.51 0.00 0.00 179.97 179.26 3i5k h VAL 485 N 0.47 1.10 -0.58 0.20 2.07 -1.05 -1.78 116.25 116.67 3i5k h VAL 485 Ca 0.13 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3i5k h VAL 485 Cb 0.15 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3i5k h VAL 485 CO -0.01 0.09 0.16 0.00 0.02 0.00 0.00 177.57 177.83 3i5k h ALA 486 N 1.06 0.77 -0.82 1.67 0.00 -1.13 -1.52 119.26 119.28 3i5k h ALA 486 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i5k h ALA 486 Cb 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3i5k h ALA 486 CO -0.02 0.45 0.50 1.03 0.00 0.00 0.00 179.25 181.21 3i5k h SER 487 N 0.83 0.99 -0.54 0.00 0.87 -1.20 -1.13 113.55 113.37 3i5k h SER 487 Ca 0.19 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 3i5k h SER 487 Cb 0.32 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3i5k h SER 487 CO -0.00 0.76 -0.09 0.00 -0.53 0.00 0.00 176.83 176.97 3i5k h ALA 488 N 1.27 0.79 -0.54 6.23 0.00 -0.91 -1.54 119.26 124.56 3i5k h ALA 488 Ca 0.30 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3i5k h ALA 488 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3i5k h ALA 488 CO -0.06 0.67 0.11 -0.07 0.00 0.00 0.00 179.25 179.90 3i5k h LEU 489 N 0.92 0.83 -0.45 0.00 3.38 -1.00 -2.30 115.31 116.70 3i5k h LEU 489 Ca 0.15 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3i5k h LEU 489 Cb 0.66 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3i5k h LEU 489 CO 0.05 0.87 0.27 0.03 0.09 0.00 0.00 178.44 179.75 3i5k h ARG 490 N 0.76 0.60 -0.70 1.13 3.08 -1.13 0.04 114.38 118.17 3i5k h ARG 490 Ca 0.16 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.24 3i5k h ARG 490 Cb 0.38 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 3i5k h ARG 490 CO 0.01 0.44 0.38 -0.22 -1.07 0.00 0.00 179.97 179.51 3i5k h LYS 491 N 0.60 0.65 -0.00 0.04 3.64 -1.10 -2.67 116.57 117.73 3i5k h LYS 491 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3i5k h LYS 491 Cb -0.01 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3i5k h LYS 491 CO -0.03 0.43 -0.34 1.28 -2.27 0.00 0.00 179.45 178.52 3i5k n LEU 492 N -4.81 0.80 -1.72 5.20 4.77 -0.88 -4.93 117.00 115.43 3i5k n LEU 492 Ca 0.10 -0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 3i5k n LEU 492 Cb 0.22 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3i5k n LEU 492 CO 0.27 0.16 0.09 0.61 -1.33 0.00 0.00 177.39 177.19 3i5k n GLY 493 N 1.40 0.33 3.90 -0.72 0.00 -0.73 -1.72 105.19 107.66 3i5k n GLY 493 Ca 0.10 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.09 3.65 0.59 4.61 0.00 -0.08 -0.57 121.76 126.86 3i5k s ALA 494 Ca 0.23 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.43 3i5k s ALA 494 Cb -0.10 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 3i5k s ALA 494 CO 0.28 0.31 1.27 -2.14 0.00 0.00 0.00 175.76 175.48 3i5k s PRO 495 N -3.42 2.93 0.95 0.00 0.02 -1.26 -4.61 135.00 129.61 3i5k s PRO 495 Ca 0.44 2.01 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 3i5k s PRO 495 Cb -0.11 -2.02 0.16 0.00 0.02 0.00 0.00 34.50 32.56 3i5k s PRO 495 CO 0.29 -1.29 1.10 -1.25 -0.33 0.00 0.00 177.00 175.52 3i5k s PRO 496 N -3.19 0.80 0.42 5.54 0.04 -1.26 -4.79 135.00 132.56 3i5k s PRO 496 Ca 0.77 0.53 0.08 0.00 0.04 0.00 0.00 61.00 62.42 3i5k s PRO 496 Cb -0.35 -1.78 0.89 0.00 0.04 0.00 0.00 34.50 33.30 3i5k s PRO 496 CO 0.39 -2.49 2.04 -0.07 0.04 0.00 0.00 177.00 176.92 3i5k h LEU 497 N -1.72 0.37 -1.36 -3.56 3.38 -1.99 -1.77 115.31 108.67 3i5k h LEU 497 Ca -0.52 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 3i5k h LEU 497 Cb 1.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3i5k h LEU 497 CO 0.58 0.31 0.12 0.08 0.09 0.00 0.00 178.44 179.62 3i5k h ARG 498 N 0.43 0.55 -0.25 1.13 0.11 -2.00 -0.22 114.38 114.14 3i5k h ARG 498 Ca 0.11 -0.08 -0.17 0.00 0.10 0.00 0.00 59.98 59.95 3i5k h ARG 498 Cb 0.03 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.00 3i5k h ARG 498 CO -0.02 0.49 -0.51 0.28 0.10 0.00 0.00 179.97 180.30 3i5k h VAL 499 N 0.55 1.30 -0.42 0.08 2.07 -1.69 -2.83 116.25 115.30 3i5k h VAL 499 Ca 0.13 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.90 3i5k h VAL 499 Cb 0.16 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3i5k h VAL 499 CO -0.01 0.55 0.13 -0.50 0.02 0.00 0.00 177.57 177.76 3i5k h TRP 500 N 0.55 0.62 -0.39 1.57 4.06 -1.00 -1.92 115.95 119.44 3i5k h TRP 500 Ca 0.02 -0.04 -0.05 0.00 2.06 0.00 0.00 58.89 60.88 3i5k h TRP 500 Cb 1.08 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 3i5k h TRP 500 CO 0.06 0.52 0.05 -0.22 -3.56 0.00 0.00 178.44 175.28 3i5k h LYS 501 N 0.60 0.65 -0.33 0.49 3.64 -0.94 -0.98 116.57 119.72 3i5k h LYS 501 Ca 0.14 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3i5k h LYS 501 Cb 0.19 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3i5k h LYS 501 CO -0.01 0.72 0.11 0.77 -2.27 0.00 0.00 179.45 178.77 3i5k h SER 502 N 0.49 0.48 -0.71 4.20 0.02 -1.33 -2.22 113.55 114.48 3i5k h SER 502 Ca 0.12 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3i5k h SER 502 Cb 0.39 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3i5k h SER 502 CO 0.01 0.55 0.43 -0.09 -1.14 0.00 0.00 176.83 176.60 3i5k h ARG 503 N 0.38 0.80 -0.53 3.45 2.43 -1.29 -2.47 114.38 117.15 3i5k h ARG 503 Ca 0.11 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3i5k h ARG 503 Cb 0.24 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3i5k h ARG 503 CO -0.00 0.53 0.21 0.00 -1.51 0.00 0.00 179.97 179.20 3i5k h ALA 504 N 1.33 1.37 -0.45 2.80 0.00 -0.98 -0.74 119.26 122.59 3i5k h ALA 504 Ca 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3i5k h ALA 504 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3i5k h ALA 504 CO -0.14 0.47 0.10 0.00 0.00 0.00 0.00 179.25 179.69 3i5k h ARG 505 N 0.76 0.68 0.18 0.00 3.08 -0.92 0.20 114.38 118.35 3i5k h ARG 505 Ca 0.18 -0.12 -0.31 0.00 0.07 0.00 0.00 59.98 59.80 3i5k h ARG 505 Cb 0.16 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 30.12 3i5k h ARG 505 CO -0.02 0.62 -1.40 0.00 -1.07 0.00 0.00 179.97 178.11 3i5k h ALA 506 N 1.46 0.01 -0.28 0.04 0.00 -1.37 -2.54 119.26 116.59 3i5k h ALA 506 Ca 0.15 -0.91 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 3i5k h ALA 506 Cb 0.25 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i5k h ALA 506 CO -0.00 0.88 0.16 0.28 0.00 0.00 0.00 179.25 180.57 3i5k h VAL 507 N 0.11 1.11 -0.28 0.00 2.07 -0.79 -2.07 116.25 116.38 3i5k h VAL 507 Ca -0.21 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3i5k h VAL 507 Cb 2.07 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 3i5k h VAL 507 CO 0.23 0.10 0.12 -0.09 0.02 0.00 0.00 177.57 177.95 3i5k h ARG 508 N 0.35 0.25 -1.00 1.57 2.43 -0.68 -1.02 114.38 116.28 3i5k h ARG 508 Ca 0.10 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3i5k h ARG 508 Cb 0.03 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3i5k h ARG 508 CO -0.02 0.16 0.66 0.00 -1.51 0.00 0.00 179.97 179.26 3i5k h ALA 509 N 1.16 1.29 -0.36 2.80 0.00 -1.31 -0.52 119.26 122.33 3i5k h ALA 509 Ca 0.12 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3i5k h ALA 509 Cb 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3i5k h ALA 509 CO -0.11 0.60 -0.41 0.77 0.00 0.00 0.00 179.25 180.11 3i5k h SER 510 N 1.31 0.95 -0.41 0.00 0.02 -0.97 -2.11 113.55 112.34 3i5k h SER 510 Ca 0.38 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3i5k h SER 510 Cb -0.08 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 3i5k h SER 510 CO -0.10 1.23 0.12 -0.07 -1.14 0.00 0.00 176.83 176.86 3i5k h LEU 511 N 0.72 0.60 -0.63 5.07 3.38 -0.91 -3.17 115.31 120.37 3i5k h LEU 511 Ca 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3i5k h LEU 511 Cb 0.99 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3i5k h LEU 511 CO 0.10 0.66 0.31 0.40 0.09 0.00 0.00 178.44 180.00 3i5k h ILE 512 N 0.52 1.22 0.00 1.22 2.04 -0.97 -2.50 117.51 119.04 3i5k h ILE 512 Ca 0.13 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3i5k h ILE 512 Cb 0.28 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3i5k h ILE 512 CO -0.00 0.25 0.00 -1.54 0.00 0.00 0.00 178.15 176.85 3i5k n SER 513 N -4.50 0.45 0.10 1.72 3.41 -0.80 -1.46 113.62 112.54 3i5k n SER 513 Ca 0.04 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 3i5k n SER 513 Cb 0.12 -0.74 0.22 0.00 -0.26 0.00 0.00 64.21 63.55 3i5k n SER 513 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3i5k h ARG 514 N 0.00 0.00 0.00 4.33 3.08 -1.44 -3.51 114.38 116.84 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 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 1.27 -1.26 7.00 0.04 0.00 -0.53 -4.85 105.19 106.85 3i5k n GLY 515 Ca 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 2.27 0.29 -0.02 0.00 -1.26 -1.79 105.19 104.67 3i5k n GLY 516 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 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 0.80 -0.77 1.61 1.57 -1.92 -2.70 116.57 115.15 3i5k h LYS 517 Ca 0.00 -0.22 0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3i5k h LYS 517 Cb 0.00 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 3i5k h LYS 517 CO 0.00 0.81 0.42 0.00 -0.57 0.00 0.00 179.45 180.11 3i5k h ALA 518 N 1.24 1.08 -0.16 3.86 0.00 -1.82 -1.01 119.26 122.46 3i5k h ALA 518 Ca 0.14 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3i5k h ALA 518 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i5k h ALA 518 CO 0.02 0.05 -0.32 0.00 0.00 0.00 0.00 179.25 178.99 3i5k h ALA 519 N 1.44 1.16 -0.51 0.00 0.00 -1.03 -1.09 119.26 119.22 3i5k h ALA 519 Ca 0.37 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3i5k h ALA 519 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3i5k h ALA 519 CO -0.25 0.54 0.03 0.28 0.00 0.00 0.00 179.25 179.85 3i5k h VAL 520 N 0.27 1.26 -0.45 0.00 2.07 -1.15 -0.48 116.25 117.77 3i5k h VAL 520 Ca 0.03 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.53 3i5k h VAL 520 Cb 0.71 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3i5k h VAL 520 CO 0.05 0.37 0.28 0.00 0.02 0.00 0.00 177.57 178.29 3i5k h GLY 522 N 0.57 -0.15 1.07 0.00 0.00 -0.96 -0.35 103.07 103.24 3i5k h GLY 522 Ca 0.17 0.20 -0.16 0.00 0.00 0.00 0.00 47.33 47.54 3i5k h GLY 522 CO -0.06 -0.16 -0.47 3.21 0.00 0.00 0.00 176.54 179.06 3i5k h ARG 523 N -0.24 0.79 0.00 4.80 3.08 -0.86 -2.96 114.38 119.00 3i5k h ARG 523 Ca 0.08 -0.49 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 3i5k h ARG 523 Cb 0.35 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3i5k h ARG 523 CO -0.21 1.12 -0.39 1.88 -1.07 0.00 0.00 179.97 181.29 3i5k h TYR 524 N 0.54 0.00 0.00 3.04 -1.99 -1.16 -3.20 116.97 114.21 3i5k h TYR 524 Ca 0.02 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 3i5k h TYR 524 Cb 1.07 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.80 3i5k h TYR 524 CO 0.08 1.15 -0.11 -0.07 -0.00 0.00 0.00 178.16 179.21 3i5k h LEU 525 N -1.00 0.00 -2.94 3.88 3.38 -1.20 -3.27 115.31 114.17 3i5k h LEU 525 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3i5k h LEU 525 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3i5k h LEU 525 CO -0.06 0.11 -0.04 0.49 0.09 0.00 0.00 178.44 179.02 3i5k n PHE 526 N -3.21 0.00 0.29 1.13 3.72 -1.12 -4.67 117.46 113.61 3i5k n PHE 526 Ca 0.01 -0.94 0.16 0.00 -0.05 0.00 0.00 57.45 56.62 3i5k n PHE 526 Cb 0.41 -0.15 0.89 0.00 -0.94 0.00 0.00 39.48 39.70 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 0.02 0.00 0.75 4.37 -1.24 -1.61 -1.59 115.58 116.27 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 1.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.08 3i5k h ASN 527 CO 0.00 0.04 0.00 4.11 -1.29 0.00 0.00 177.43 180.29 3i5k h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.83 -3.18 115.95 116.69 3i5k h TRP 528 Ca -0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 3i5k h TRP 528 Cb 0.14 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.30 3i5k h TRP 528 CO 0.00 0.00 -0.90 0.00 -1.28 0.00 0.00 178.44 176.26 3i5k h ALA 529 N 2.02 0.59 -2.74 0.11 0.00 -1.65 -3.47 119.26 114.12 3i5k h ALA 529 Ca 0.00 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 54.21 3i5k h ALA 529 Cb 0.37 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3i5k h ALA 529 CO 0.00 0.13 -0.34 0.14 0.00 0.00 0.00 179.25 179.17 3i5k s VAL 530 N -3.28 5.20 0.01 0.00 -7.23 -1.20 -4.83 120.40 109.06 3i5k s VAL 530 Ca 0.00 -0.05 -0.25 0.00 -1.81 0.00 0.00 61.98 59.87 3i5k s VAL 530 Cb 0.09 -3.63 -0.14 0.00 0.56 0.00 0.00 36.38 33.26 3i5k s VAL 530 CO 0.78 0.04 1.06 0.50 -0.31 0.00 0.00 175.10 177.17 3i5k h LYS 531 N 2.82 -0.86 -5.68 4.82 3.64 -1.90 -3.39 116.57 116.02 3i5k h LYS 531 Ca -0.46 0.06 -0.62 0.00 -1.27 0.00 0.00 60.65 58.36 3i5k h LYS 531 Cb 1.16 0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 33.05 3i5k h LYS 531 CO 0.73 -0.56 0.57 0.99 -2.27 0.00 0.00 179.45 178.91 3i5k s THR 532 N -4.54 4.33 0.34 1.00 2.01 -1.26 -5.02 115.64 112.51 3i5k s THR 532 Ca -0.13 -0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.58 3i5k s THR 532 Cb 0.01 -4.62 -0.09 0.00 0.01 0.00 0.00 72.50 67.81 3i5k s THR 532 CO 0.41 -1.31 1.13 -0.54 -0.69 0.00 0.00 174.62 173.63 3i5k s LYS 533 N 4.08 4.34 0.36 4.92 -0.14 -1.26 -5.04 119.74 126.99 3i5k s LYS 533 Ca 0.27 1.80 -0.19 0.00 -1.36 0.00 0.00 55.97 56.49 3i5k s LYS 533 Cb -0.14 -2.90 -0.10 0.00 -1.68 0.00 0.00 37.83 33.01 3i5k s LYS 533 CO 0.15 -0.06 0.84 -0.51 -0.76 0.00 0.00 175.35 175.01 3i5k s LEU 534 N -2.03 4.07 -0.43 3.17 1.43 -1.26 -5.03 118.68 118.60 3i5k s LEU 534 Ca 0.51 1.51 -0.27 0.00 -1.03 0.00 0.00 54.13 54.85 3i5k s LEU 534 Cb -0.30 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 41.73 3i5k s LEU 534 CO 0.39 -0.23 1.03 -0.75 0.23 0.00 0.00 176.35 177.01 3i5k s LYS 535 N -2.88 3.75 -0.21 1.70 2.20 -1.26 -5.02 119.74 118.02 3i5k s LYS 535 Ca 0.56 0.54 -0.18 0.00 -0.36 0.00 0.00 55.97 56.52 3i5k s LYS 535 Cb -0.11 -3.86 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 3i5k s LYS 535 CO 0.17 -1.18 0.52 -0.51 -0.36 0.00 0.00 175.35 173.99 3i5k s LEU 536 N 3.94 4.13 0.16 5.43 1.43 -1.26 -5.07 118.68 127.44 3i5k s LEU 536 Ca 0.43 0.65 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 3i5k s LEU 536 Cb -0.10 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3i5k s LEU 536 CO 0.25 -0.20 0.20 0.42 0.23 0.00 0.00 176.35 177.25 3i5k s THR 537 N 1.77 4.82 0.15 5.49 -4.23 -1.26 -5.06 115.64 117.32 3i5k s THR 537 Ca 0.24 -0.93 -0.34 0.00 -1.18 0.00 0.00 61.69 59.48 3i5k s THR 537 Cb -0.15 -3.48 -0.16 0.00 1.34 0.00 0.00 72.50 70.05 3i5k s THR 537 CO 0.09 -0.11 1.26 -0.81 -0.54 0.00 0.00 174.62 174.52 3i5k n PRO 538 N -0.44 1.31 -2.73 3.99 -0.04 -1.26 -4.93 135.00 130.89 3i5k n PRO 538 Ca -0.08 0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 3i5k n PRO 538 Cb 0.54 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 3i5k n PRO 538 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i5k s LEU 539 N 0.57 4.22 0.38 1.53 1.43 -1.26 -4.95 118.68 120.58 3i5k s LEU 539 Ca 0.76 1.43 0.13 0.00 -1.03 0.00 0.00 54.13 55.43 3i5k s LEU 539 Cb -0.85 -3.48 0.96 0.00 0.03 0.00 0.00 46.19 42.85 3i5k s LEU 539 CO 0.49 -0.46 1.82 -0.65 0.23 0.00 0.00 176.35 177.79 3i5k h PRO 540 N 7.18 0.53 0.00 1.29 0.11 -2.02 -1.94 132.00 137.15 3i5k h PRO 540 Ca -0.29 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 3i5k h PRO 540 Cb 1.13 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3i5k h PRO 540 CO 0.86 0.35 -0.22 0.93 -0.21 0.00 0.00 178.00 179.71 3i5k h GLU 541 N 0.54 0.00 -0.55 1.05 3.07 -1.98 -2.95 114.58 113.76 3i5k h GLU 541 Ca 0.51 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.37 3i5k h GLU 541 Cb 1.09 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 3i5k h GLU 541 CO -0.25 0.22 0.34 0.00 -1.40 0.00 0.00 179.01 177.92 3i5k h ALA 542 N 1.78 1.56 0.00 3.43 0.00 -1.59 -2.02 119.26 122.41 3i5k h ALA 542 Ca -0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3i5k h ALA 542 Cb 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3i5k h ALA 542 CO 0.03 0.39 -0.52 0.00 0.00 0.00 0.00 179.25 179.15 3i5k h ARG 543 N 0.76 0.00 0.00 0.00 3.08 -1.64 -3.15 114.38 113.43 3i5k h ARG 543 Ca 0.20 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 3i5k h ARG 543 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3i5k h ARG 543 CO -0.04 0.52 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.03 3i5k h LEU 544 N 0.00 0.00 -9.55 3.04 4.07 -1.41 -3.44 115.31 108.02 3i5k h LEU 544 Ca -0.01 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.43 3i5k h LEU 544 Cb 1.04 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 3i5k h LEU 544 CO 0.07 0.28 0.35 -0.76 -1.08 0.00 0.00 178.44 177.29 3i5k s LEU 545 N -7.90 4.48 -0.52 1.67 1.43 -1.16 -4.60 118.68 112.08 3i5k s LEU 545 Ca -0.03 1.75 -0.05 0.00 -1.03 0.00 0.00 54.13 54.78 3i5k s LEU 545 Cb 0.14 -3.56 0.13 0.00 0.03 0.00 0.00 46.19 42.93 3i5k s LEU 545 CO 0.68 -0.08 0.34 -0.62 0.23 0.00 0.00 176.35 176.90 3i5k s ASP 546 N 0.12 5.41 0.00 2.29 2.15 0.11 -4.89 116.67 121.86 3i5k s ASP 546 Ca 0.47 -2.33 0.15 0.00 0.43 0.00 0.00 52.55 51.27 3i5k s ASP 546 Cb -0.23 -1.89 0.41 0.00 -0.30 0.00 0.00 42.92 40.91 3i5k s ASP 546 CO 0.29 -0.52 1.34 0.18 -0.17 0.00 0.00 175.17 176.29 3i5k n LEU 547 N 4.24 3.24 0.27 -1.34 4.32 -1.26 -4.42 117.00 122.04 3i5k n LEU 547 Ca 0.01 -1.96 0.18 0.00 -0.02 0.00 0.00 56.01 54.21 3i5k n LEU 547 Cb 0.40 -0.31 0.76 0.00 -1.62 0.00 0.00 43.42 42.65 3i5k n LEU 547 CO 0.35 0.80 1.01 0.77 -1.22 0.00 0.00 177.39 179.11 3i5k h SER 548 N 2.80 0.00 0.00 -1.43 4.64 -1.97 -1.65 113.55 115.94 3i5k h SER 548 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3i5k h SER 548 Cb 0.81 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.84 3i5k h SER 548 CO 0.00 0.00 -0.43 -1.54 -0.87 0.00 0.00 176.83 173.99 3i5k n SER 549 N -2.96 1.56 0.26 4.97 3.41 -1.26 -4.86 113.62 114.75 3i5k n SER 549 Ca 0.00 -3.07 0.09 0.00 -0.26 0.00 0.00 58.87 55.63 3i5k n SER 549 Cb 0.24 -0.42 0.68 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.55 0.00 0.11 7.33 7.01 -1.60 -1.38 115.95 127.97 3i5k h TRP 550 Ca -0.04 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.66 3i5k h TRP 550 Cb 1.21 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.26 3i5k h TRP 550 CO 0.34 0.03 -1.54 0.74 -2.79 0.00 0.00 178.44 175.21 3i5k h PHE 551 N 0.00 0.44 -0.34 2.65 -1.00 -1.83 -3.35 116.94 113.51 3i5k h PHE 551 Ca -0.00 -0.32 -0.06 0.00 2.81 0.00 0.00 57.97 60.40 3i5k h PHE 551 Cb 0.06 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 3i5k h PHE 551 CO 0.00 1.61 -0.05 0.00 -1.61 0.00 0.00 178.31 178.25 3i5k h THR 552 N -0.25 1.22 -0.00 -1.55 1.03 -1.36 -2.18 112.91 109.81 3i5k h THR 552 Ca -0.33 -0.91 0.00 0.00 -0.01 0.00 0.00 66.41 65.16 3i5k h THR 552 Cb 1.81 1.02 -0.00 0.00 -1.07 0.00 0.00 68.15 69.91 3i5k h THR 552 CO 0.05 0.31 0.01 -0.37 -0.01 0.00 0.00 175.52 175.51 3i5k h VAL 553 N 0.52 0.20 -0.00 0.00 -1.51 -1.42 -0.26 116.25 113.77 3i5k h VAL 553 Ca 0.10 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.44 3i5k h VAL 553 Cb 0.41 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 30.55 3i5k h VAL 553 CO 0.02 0.00 -0.63 1.23 -1.23 0.00 0.00 177.57 176.96 3i5k h GLY 554 N 0.00 0.01 -1.04 5.19 0.00 -1.52 -3.47 103.07 102.24 3i5k h GLY 554 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 47.33 46.90 3i5k h GLY 554 CO -0.00 0.02 -0.38 0.00 0.00 0.00 0.00 176.54 176.18 3i5k n ALA 555 N -2.42 -0.32 -2.32 3.60 0.00 -0.11 -0.80 120.51 118.13 3i5k n ALA 555 Ca -0.01 0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.69 3i5k n ALA 555 Cb 0.63 -2.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.51 -0.37 0.61 0.00 0.00 -1.26 -4.39 105.19 99.26 3i5k n GLY 556 Ca -0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.59 4.96 5.09 -0.02 0.00 0.02 -4.63 105.19 110.02 3i5k n GLY 557 Ca -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.16 1.88 2.13 -0.02 0.00 0.17 -4.46 105.19 103.74 3i5k n GLY 558 Ca 0.21 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 5.46 5.69 -4.07 1.61 2.03 -1.26 -4.35 116.55 121.65 3i5k n ASP 559 Ca 0.00 -2.74 -0.25 0.00 0.52 0.00 0.00 54.79 52.33 3i5k n ASP 559 Cb 0.00 -1.33 -0.16 0.00 -0.72 0.00 0.00 41.12 38.91 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 -0.24 1.24 -0.05 5.18 -1.09 -1.26 -4.46 121.20 120.52 3i5k s ILE 560 Ca 0.59 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 58.47 3i5k s ILE 560 Cb 0.32 -1.09 0.00 0.00 -1.58 0.00 0.00 42.46 40.11 3i5k s ILE 560 CO -0.07 0.37 -0.14 0.12 -1.23 0.00 0.00 174.94 173.98 3i5k s PHE 561 N 0.30 1.49 0.01 3.97 5.36 0.10 -0.85 117.98 128.36 3i5k s PHE 561 Ca -0.08 -0.46 0.01 0.00 -0.96 0.00 0.00 56.93 55.44 3i5k s PHE 561 Cb -0.13 -1.04 -0.01 0.00 -0.34 0.00 0.00 43.02 41.51 3i5k s PHE 561 CO 0.03 -0.19 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.55 3i5k s HIS 562 N 0.27 0.33 0.81 10.12 3.76 -0.46 -4.63 115.29 125.49 3i5k s HIS 562 Ca -0.07 -0.15 -0.06 0.00 -0.15 0.00 0.00 55.06 54.63 3i5k s HIS 562 Cb -0.12 -0.21 0.15 0.00 1.11 0.00 0.00 32.58 33.51 3i5k s HIS 562 CO 0.02 -0.03 1.11 -1.12 -0.85 0.00 0.00 174.74 173.88 3i5k s SER 563 N -0.38 3.89 0.00 1.40 0.01 -1.26 -1.19 113.70 116.17 3i5k s SER 563 Ca -0.02 -0.14 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 3i5k s SER 563 Cb -0.03 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 3i5k s SER 563 CO -0.00 -2.18 1.40 -0.69 0.41 0.00 0.00 173.24 172.17 3i5k s VAL 564 N -3.42 3.71 -0.49 3.43 1.01 -1.21 -4.82 120.40 118.62 3i5k s VAL 564 Ca 0.69 1.10 -0.27 0.00 0.00 0.00 0.00 61.98 63.50 3i5k s VAL 564 Cb -0.05 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.66 3i5k s VAL 564 CO 0.47 -0.00 1.02 -0.94 0.00 0.00 0.00 175.10 175.65 3i5k s SER 565 N 1.87 6.52 0.00 3.32 1.04 -1.26 -5.04 113.70 120.14 3i5k s SER 565 Ca 0.64 0.17 0.22 0.00 0.48 0.00 0.00 55.95 57.46 3i5k s SER 565 Cb -0.31 -2.49 0.18 0.00 0.10 0.00 0.00 66.02 63.49 3i5k s SER 565 CO 0.26 -1.17 1.20 0.52 0.98 0.00 0.00 173.24 175.04