#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 4.53 0.24 4.33 1.00 -1.26 -1.39 119.30 126.75 3i5k s MET 2 Ca 0.00 1.93 -0.07 0.00 0.00 0.00 0.00 55.69 57.56 3i5k s MET 2 Cb 0.00 -3.17 0.26 0.00 0.00 0.00 0.00 34.83 31.92 3i5k s MET 2 CO 0.00 0.04 1.90 0.66 0.00 0.00 0.00 175.02 177.62 3i5k h SER 3 N 4.00 1.00 -4.83 3.03 4.64 -1.54 -3.41 113.55 116.44 3i5k h SER 3 Ca -0.47 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 60.64 3i5k h SER 3 Cb 1.22 -0.24 -0.22 0.00 -0.31 0.00 0.00 62.40 62.85 3i5k h SER 3 CO 0.68 0.70 -0.71 -0.31 -0.87 0.00 0.00 176.83 176.33 3i5k s TYR 4 N -6.10 0.31 0.31 4.77 2.02 -1.26 -0.58 117.35 116.81 3i5k s TYR 4 Ca -0.13 -0.48 0.11 0.00 -0.37 0.00 0.00 57.07 56.20 3i5k s TYR 4 Cb 0.17 -0.21 -0.06 0.00 -0.40 0.00 0.00 41.96 41.47 3i5k s TYR 4 CO 0.80 -0.16 -0.14 -1.54 -1.57 0.00 0.00 175.55 172.94 3i5k s SER 5 N -1.34 3.62 0.01 2.29 1.04 -0.61 -4.81 113.70 113.89 3i5k s SER 5 Ca -0.14 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.19 3i5k s SER 5 Cb -0.09 -0.32 -0.01 0.00 0.10 0.00 0.00 66.02 65.70 3i5k s SER 5 CO -0.01 -0.09 -0.03 0.26 0.98 0.00 0.00 173.24 174.35 3i5k s TRP 6 N -2.58 0.30 -0.01 5.02 0.52 -1.26 -0.95 118.94 119.97 3i5k s TRP 6 Ca 0.31 -0.17 0.12 0.00 0.02 0.00 0.00 56.10 56.37 3i5k s TRP 6 Cb -0.01 -0.19 -0.19 0.00 -1.15 0.00 0.00 33.47 31.93 3i5k s TRP 6 CO 0.15 -0.04 0.93 1.79 0.02 0.00 0.00 176.95 179.81 3i5k h THR 7 N 4.94 1.07 0.00 2.01 1.35 -1.49 -3.48 112.91 117.32 3i5k h THR 7 Ca -0.28 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 62.79 3i5k h THR 7 Cb 1.20 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 3i5k h THR 7 CO 0.48 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.97 3i5k n GLY 8 N 1.44 2.16 3.75 5.82 0.00 -1.26 -5.09 105.19 112.02 3i5k n GLY 8 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.67 1.97 -1.68 4.61 0.00 -1.26 -4.95 120.51 118.52 3i5k n ALA 9 Ca 0.00 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.40 3i5k n ALA 9 Cb 0.00 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.09 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 -2.09 3.62 -0.36 0.00 1.02 -1.26 -4.87 118.68 114.75 3i5k s LEU 10 Ca 0.57 2.03 -0.28 0.00 0.02 0.00 0.00 54.13 56.48 3i5k s LEU 10 Cb -0.48 -4.56 0.02 0.00 0.02 0.00 0.00 46.19 41.18 3i5k s LEU 10 CO 0.61 -1.27 1.04 -0.63 0.02 0.00 0.00 176.35 176.11 3i5k s ILE 11 N -2.07 4.49 0.03 -0.59 1.01 -1.26 -4.78 121.20 118.03 3i5k s ILE 11 Ca 0.69 1.50 0.02 0.00 0.00 0.00 0.00 60.65 62.86 3i5k s ILE 11 Cb -0.21 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 3i5k s ILE 11 CO 0.32 -0.57 0.01 0.42 0.00 0.00 0.00 174.94 175.12 3i5k s THR 12 N 3.71 4.14 0.91 2.92 -4.23 -1.26 -4.88 115.64 116.95 3i5k s THR 12 Ca 0.43 -0.70 -0.14 0.00 -1.18 0.00 0.00 61.69 60.10 3i5k s THR 12 Cb -0.11 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 70.99 3i5k s THR 12 CO 0.19 0.30 1.20 -2.16 -0.54 0.00 0.00 174.62 173.61 3i5k s PRO 13 N -1.79 1.08 -0.02 3.99 0.04 -1.26 -4.34 135.00 132.70 3i5k s PRO 13 Ca 0.22 0.00 -0.00 0.00 0.04 0.00 0.00 61.00 61.26 3i5k s PRO 13 Cb -0.12 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 3i5k s PRO 13 CO 0.13 -2.18 -0.02 0.00 0.04 0.00 0.00 177.00 174.97 3i5k s SER 15 N -4.39 5.65 0.32 0.00 1.04 -1.26 -5.10 113.70 109.95 3i5k s SER 15 Ca -0.03 0.24 -0.18 0.00 0.48 0.00 0.00 55.95 56.46 3i5k s SER 15 Cb 0.01 -1.73 -0.13 0.00 0.10 0.00 0.00 66.02 64.27 3i5k s SER 15 CO 0.05 0.36 0.09 -2.65 0.98 0.00 0.00 173.24 172.07 3i5k n PRO 16 N 2.28 0.00 -4.36 4.02 -0.02 -1.26 -5.01 135.00 130.65 3i5k n PRO 16 Ca -0.19 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.07 3i5k n PRO 16 Cb 0.54 -0.82 -0.13 0.00 -0.02 0.00 0.00 33.50 33.07 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 -0.82 1.06 -0.02 -0.52 2.02 -1.26 -5.15 118.70 114.02 3i5k s GLU 17 Ca 0.49 -0.95 0.07 0.00 0.02 0.00 0.00 54.97 54.60 3i5k s GLU 17 Cb -0.54 -1.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 3i5k s GLU 17 CO 0.51 0.28 -0.23 -1.21 0.02 0.00 0.00 175.26 174.63 3i5k s GLU 18 N -1.48 2.15 -0.02 1.61 2.02 -1.26 -5.03 118.70 116.70 3i5k s GLU 18 Ca 0.03 -0.90 0.15 0.00 0.02 0.00 0.00 54.97 54.27 3i5k s GLU 18 Cb -0.09 -2.11 -0.22 0.00 0.10 0.00 0.00 34.13 31.81 3i5k s GLU 18 CO 0.02 0.57 0.38 -0.85 0.02 0.00 0.00 175.26 175.40 3i5k n GLU 19 N 2.29 0.81 -4.26 1.61 0.28 -1.26 -4.52 120.64 115.60 3i5k n GLU 19 Ca -0.16 -0.11 -0.35 0.00 -0.16 0.00 0.00 57.16 56.38 3i5k n GLU 19 Cb 0.51 -1.32 -0.09 0.00 1.43 0.00 0.00 31.44 31.98 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 -2.89 3.03 -0.07 3.44 1.02 -1.26 -0.99 119.74 122.01 3i5k s LYS 20 Ca -0.03 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.25 3i5k s LYS 20 Cb 0.10 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 3i5k s LYS 20 CO 0.61 0.69 1.48 -1.17 -0.92 0.00 0.00 175.35 176.05 3i5k s LEU 21 N -1.13 4.28 0.21 3.17 2.96 -1.19 -4.92 118.68 122.07 3i5k s LEU 21 Ca 0.16 2.05 -0.30 0.00 -0.22 0.00 0.00 54.13 55.82 3i5k s LEU 21 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 3i5k s LEU 21 CO 0.05 -0.83 1.37 -2.84 -1.32 0.00 0.00 176.35 172.79 3i5k s PRO 22 N 3.47 4.33 -0.12 0.98 0.02 -1.26 -4.83 135.00 137.59 3i5k s PRO 22 Ca 0.66 2.16 -0.20 0.00 0.02 0.00 0.00 61.00 63.64 3i5k s PRO 22 Cb -0.30 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 3i5k s PRO 22 CO 0.24 -0.34 0.57 0.96 -0.33 0.00 0.00 177.00 178.11 3i5k s ILE 23 N 0.15 5.12 -0.25 2.83 -4.36 -1.26 -4.95 121.20 118.48 3i5k s ILE 23 Ca 0.59 1.14 -0.21 0.00 -0.26 0.00 0.00 60.65 61.91 3i5k s ILE 23 Cb -0.39 -3.91 0.07 0.00 1.25 0.00 0.00 42.46 39.48 3i5k s ILE 23 CO 0.39 0.27 0.66 0.21 0.24 0.00 0.00 174.94 176.71 3i5k s ASN 24 N 0.78 -0.75 0.26 4.36 2.47 -1.26 -5.04 114.94 115.77 3i5k s ASN 24 Ca 0.30 1.36 -0.03 0.00 0.42 0.00 0.00 52.86 54.91 3i5k s ASN 24 Cb -0.16 1.33 0.53 0.00 -1.45 0.00 0.00 41.25 41.50 3i5k s ASN 24 CO 0.13 -0.23 1.39 -2.65 -3.72 0.00 0.00 177.10 172.02 3i5k n PRO 25 N 3.21 -0.08 -0.02 0.43 -0.01 -1.26 0.54 135.00 137.80 3i5k n PRO 25 Ca -0.16 1.37 -0.13 0.00 -0.01 0.00 0.00 63.50 64.57 3i5k n PRO 25 Cb 0.56 -2.10 -0.08 0.00 -0.01 0.00 0.00 33.50 31.87 3i5k n PRO 25 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 3i5k h LEU 26 N 0.00 0.12 -0.73 2.45 3.38 -1.98 -2.68 115.31 115.87 3i5k h LEU 26 Ca 0.48 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3i5k h LEU 26 Cb 0.85 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3i5k h LEU 26 CO -0.88 0.49 -0.26 0.77 0.09 0.00 0.00 178.44 178.65 3i5k h SER 27 N -0.26 0.71 0.37 -0.43 4.64 -1.70 -3.08 113.55 113.79 3i5k h SER 27 Ca 0.01 -0.26 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 3i5k h SER 27 Cb 0.45 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3i5k h SER 27 CO 0.01 0.94 -0.25 -1.13 -0.87 0.00 0.00 176.83 175.52 3i5k h ASN 28 N 0.60 0.00 1.00 4.97 -0.73 0.08 -1.39 115.58 120.11 3i5k h ASN 28 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 3i5k h ASN 28 Cb 0.75 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.34 3i5k h ASN 28 CO 0.06 0.25 0.00 -1.54 -0.37 0.00 0.00 177.43 175.83 3i5k n SER 29 N -3.96 0.35 -0.10 1.15 3.41 -1.01 -3.25 113.62 110.20 3i5k n SER 29 Ca -0.02 0.55 -0.21 0.00 -0.26 0.00 0.00 58.87 58.93 3i5k n SER 29 Cb 0.33 -0.64 -0.12 0.00 -0.26 0.00 0.00 64.21 63.52 3i5k n SER 29 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i5k h LEU 30 N 0.00 0.01 -7.40 1.04 5.85 -1.34 -3.43 115.31 110.03 3i5k h LEU 30 Ca 0.00 -0.55 -0.14 0.00 0.84 0.00 0.00 57.88 58.03 3i5k h LEU 30 Cb 0.50 -0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.29 3i5k h LEU 30 CO 0.00 1.46 -0.32 -1.48 -0.34 0.00 0.00 178.44 177.76 3i5k s LEU 31 N -7.89 0.73 0.03 2.25 0.05 -0.89 -4.13 118.68 108.82 3i5k s LEU 31 Ca -0.28 0.62 0.19 0.00 0.05 0.00 0.00 54.13 54.71 3i5k s LEU 31 Cb 0.05 1.17 -0.17 0.00 -2.05 0.00 0.00 46.19 45.19 3i5k s LEU 31 CO 0.60 -0.15 0.68 0.54 -0.55 0.00 0.00 176.35 177.48 3i5k n ARG 32 N 2.74 0.64 -2.07 1.48 1.74 0.11 -4.13 116.66 117.16 3i5k n ARG 32 Ca -0.14 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.63 3i5k n ARG 32 Cb 0.57 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.73 3.04 0.07 -1.55 4.01 -0.70 -4.76 117.16 114.54 3i5k n TYR 33 Ca -0.11 -2.86 0.05 0.00 -0.16 0.00 0.00 57.90 54.83 3i5k n TYR 33 Cb 0.80 -2.14 0.49 0.00 -0.31 0.00 0.00 39.34 38.18 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 5.66 0.37 0.00 -0.72 2.07 -1.85 -2.43 115.15 118.25 3i5k h HIS 34 Ca 0.50 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 3i5k h HIS 34 Cb 0.58 -0.12 0.00 0.00 2.57 0.00 0.00 27.41 30.44 3i5k h HIS 34 CO 1.38 0.23 0.00 0.09 -3.07 0.00 0.00 177.93 176.56 3i5k n ASN 35 N -4.49 0.00 0.05 3.10 3.02 -1.26 -1.67 115.26 114.02 3i5k n ASN 35 Ca 0.02 0.28 0.11 0.00 -0.03 0.00 0.00 54.58 54.96 3i5k n ASN 35 Cb 0.08 -0.37 0.01 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.37 0.45 -3.62 3.52 5.02 -0.91 -4.86 118.16 116.39 3i5k n LYS 36 Ca 0.04 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 3i5k n LYS 36 Cb 0.10 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 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 -3.30 5.34 0.17 -0.18 1.01 -0.67 -0.07 120.40 122.70 3i5k s VAL 37 Ca 0.01 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.29 3i5k s VAL 37 Cb 0.12 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3i5k s VAL 37 CO 0.80 0.33 -0.12 -0.72 0.00 0.00 0.00 175.10 175.39 3i5k s TYR 38 N 1.15 1.42 -0.08 5.22 -0.85 -0.46 -3.15 117.35 120.60 3i5k s TYR 38 Ca 0.09 -0.69 0.04 0.00 -0.52 0.00 0.00 57.07 55.99 3i5k s TYR 38 Cb -0.14 -0.70 -0.01 0.00 0.38 0.00 0.00 41.96 41.50 3i5k s TYR 38 CO 0.05 0.18 -0.22 0.00 -1.52 0.00 0.00 175.55 174.04 3i5k s THR 40 N 0.04 3.14 0.28 0.00 -4.23 0.06 -4.35 115.64 110.58 3i5k s THR 40 Ca -0.09 0.99 0.03 0.00 -1.18 0.00 0.00 61.69 61.45 3i5k s THR 40 Cb -0.15 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 3i5k s THR 40 CO 0.05 0.12 0.18 0.42 -0.54 0.00 0.00 174.62 174.85 3i5k s THR 41 N -1.36 0.15 0.63 3.99 -4.23 -1.26 -3.86 115.64 109.69 3i5k s THR 41 Ca 0.55 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.33 3i5k s THR 41 Cb -0.32 -2.51 0.32 0.00 1.34 0.00 0.00 72.50 71.34 3i5k s THR 41 CO 0.40 0.00 1.83 0.77 -0.54 0.00 0.00 174.62 177.09 3i5k h SER 42 N 2.33 0.00 -0.03 3.99 4.64 -1.87 -2.35 113.55 120.26 3i5k h SER 42 Ca -0.32 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3i5k h SER 42 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3i5k h SER 42 CO 0.49 0.00 0.02 0.50 -0.87 0.00 0.00 176.83 176.97 3i5k h LYS 43 N 0.00 0.04 -0.61 4.77 3.64 -1.96 -1.73 116.57 120.73 3i5k h LYS 43 Ca 0.12 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3i5k h LYS 43 Cb 1.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3i5k h LYS 43 CO -0.00 0.03 0.00 -1.13 -2.27 0.00 0.00 179.45 176.08 3i5k n SER 44 N -4.53 4.29 0.06 4.20 3.41 -0.88 -4.59 113.62 115.57 3i5k n SER 44 Ca -0.03 -2.31 -0.02 0.00 -0.26 0.00 0.00 58.87 56.26 3i5k n SER 44 Cb 0.09 -0.51 0.26 0.00 -0.26 0.00 0.00 64.21 63.78 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 3.75 1.21 -0.25 7.33 0.00 -1.42 -2.77 119.26 127.10 3i5k h ALA 45 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 3i5k h ALA 45 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3i5k h ALA 45 CO 0.14 0.52 -0.40 1.03 0.00 0.00 0.00 179.25 180.54 3i5k h SER 46 N 0.32 0.64 -0.33 0.00 0.87 -1.81 -1.19 113.55 112.05 3i5k h SER 46 Ca 0.05 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.26 3i5k h SER 46 Cb 0.63 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3i5k h SER 46 CO 0.05 0.97 0.01 -0.61 -0.53 0.00 0.00 176.83 176.72 3i5k h GLN 47 N 0.50 0.68 -0.18 2.24 4.15 -1.83 -2.04 115.11 118.62 3i5k h GLN 47 Ca 0.04 -0.16 -0.16 0.00 0.77 0.00 0.00 58.65 59.14 3i5k h GLN 47 Cb 0.92 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.52 3i5k h GLN 47 CO 0.08 0.68 -0.51 -0.09 -1.93 0.00 0.00 178.83 177.06 3i5k h ARG 48 N 0.64 0.67 -0.75 1.69 9.65 -1.35 -3.08 114.38 121.85 3i5k h ARG 48 Ca 0.13 -0.48 0.12 0.00 -1.10 0.00 0.00 59.98 58.66 3i5k h ARG 48 Cb 0.38 0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 28.95 3i5k h ARG 48 CO 0.01 1.10 0.34 0.00 2.80 0.00 0.00 179.97 184.22 3i5k h ALA 49 N 0.57 1.06 0.04 2.80 0.00 -0.88 -0.74 119.26 122.11 3i5k h ALA 49 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3i5k h ALA 49 Cb 1.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3i5k h ALA 49 CO 0.11 -0.12 -0.10 0.87 0.00 0.00 0.00 179.25 180.01 3i5k h LYS 50 N 0.54 -0.18 -0.62 0.00 1.79 -1.42 -2.83 116.57 113.85 3i5k h LYS 50 Ca 0.39 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.92 3i5k h LYS 50 Cb 0.52 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.16 3i5k h LYS 50 CO -0.34 -0.12 0.36 -0.22 -1.08 0.00 0.00 179.45 178.05 3i5k h LYS 51 N -0.19 0.67 -0.00 3.15 3.64 -1.26 -2.97 116.57 119.61 3i5k h LYS 51 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i5k h LYS 51 Cb 0.21 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3i5k h LYS 51 CO -0.07 0.44 -0.09 1.33 -2.27 0.00 0.00 179.45 178.79 3i5k n VAL 52 N -4.77 0.00 -3.55 2.00 0.24 -0.36 -4.72 118.33 107.17 3i5k n VAL 52 Ca 0.06 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3i5k n VAL 52 Cb 0.12 -0.12 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 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 -2.44 4.86 0.15 3.34 2.01 -1.08 -4.73 115.64 117.76 3i5k s THR 53 Ca 0.30 -0.69 -0.24 0.00 0.31 0.00 0.00 61.69 61.37 3i5k s THR 53 Cb 0.20 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 69.11 3i5k s THR 53 CO 0.46 -0.21 0.75 0.72 -0.69 0.00 0.00 174.62 175.65 3i5k s PHE 54 N 1.62 -0.35 0.16 4.92 -0.12 -1.26 -4.95 117.98 118.00 3i5k s PHE 54 Ca 0.04 0.09 -0.29 0.00 -0.05 0.00 0.00 56.93 56.71 3i5k s PHE 54 Cb -0.19 0.60 -0.07 0.00 -0.63 0.00 0.00 43.02 42.73 3i5k s PHE 54 CO 0.08 -0.87 0.92 0.34 -0.05 0.00 0.00 175.22 175.64 3i5k s ASP 55 N -2.76 7.53 -0.11 1.98 2.15 -1.26 -1.45 116.67 122.75 3i5k s ASP 55 Ca 0.06 1.82 -0.01 0.00 0.43 0.00 0.00 52.55 54.84 3i5k s ASP 55 Cb -0.02 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 3i5k s ASP 55 CO -0.05 0.06 -0.07 -0.13 -0.17 0.00 0.00 175.17 174.81 3i5k s ARG 56 N -0.59 3.20 0.20 4.34 3.00 -0.49 -4.96 118.95 123.66 3i5k s ARG 56 Ca 0.43 -0.56 0.11 0.00 0.00 0.00 0.00 55.73 55.71 3i5k s ARG 56 Cb -0.24 -2.72 -0.04 0.00 0.00 0.00 0.00 34.95 31.94 3i5k s ARG 56 CO 0.30 0.43 -0.19 0.95 0.00 0.00 0.00 175.30 176.80 3i5k s THR 57 N -0.18 2.66 -0.12 0.02 -4.23 -1.26 -2.58 115.64 109.94 3i5k s THR 57 Ca 0.02 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.56 3i5k s THR 57 Cb -0.13 -2.30 0.06 0.00 1.34 0.00 0.00 72.50 71.47 3i5k s THR 57 CO 0.03 -0.14 0.24 -1.58 -0.54 0.00 0.00 174.62 172.63 3i5k s GLN 58 N -2.79 0.13 -0.20 3.99 0.74 -1.26 -4.13 119.66 116.15 3i5k s GLN 58 Ca 0.23 0.69 0.01 0.00 0.05 0.00 0.00 55.36 56.34 3i5k s GLN 58 Cb -0.08 -0.08 0.04 0.00 1.10 0.00 0.00 33.01 33.98 3i5k s GLN 58 CO 0.12 -0.27 -0.13 0.08 -0.55 0.00 0.00 175.29 174.54 3i5k s VAL 59 N 2.26 1.80 0.17 1.34 1.01 -0.39 -5.02 120.40 121.56 3i5k s VAL 59 Ca 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.99 3i5k s VAL 59 Cb -0.12 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3i5k s VAL 59 CO -0.08 0.26 0.26 -0.76 0.00 0.00 0.00 175.10 174.78 3i5k s LEU 60 N 1.34 4.18 0.00 3.92 1.43 -1.26 -4.05 118.68 124.24 3i5k s LEU 60 Ca -0.00 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3i5k s LEU 60 Cb -0.16 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 3i5k s LEU 60 CO -0.09 0.03 0.08 -0.90 0.23 0.00 0.00 176.35 175.70 3i5k n ASP 61 N -0.68 0.36 0.13 2.29 5.68 -1.26 -5.03 116.55 118.05 3i5k n ASP 61 Ca -0.08 -1.83 0.04 0.00 -0.50 0.00 0.00 54.79 52.42 3i5k n ASP 61 Cb 0.55 0.52 0.44 0.00 -1.14 0.00 0.00 41.12 41.48 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 1.33 1.61 -0.35 2.12 0.00 -2.00 -1.51 119.26 120.47 3i5k h ALA 62 Ca -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3i5k h ALA 62 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i5k h ALA 62 CO 0.16 0.29 0.06 0.45 0.00 0.00 0.00 179.25 180.20 3i5k h HIS 63 N 0.22 0.61 0.09 0.00 3.86 -1.96 -1.30 115.15 116.66 3i5k h HIS 63 Ca 0.05 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3i5k h HIS 63 Cb 0.27 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 3i5k h HIS 63 CO 0.00 0.64 -0.05 -0.92 0.86 0.00 0.00 177.93 178.46 3i5k h TYR 64 N 0.41 -0.14 -0.93 2.45 3.20 -1.73 -2.45 116.97 117.78 3i5k h TYR 64 Ca 0.11 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.02 3i5k h TYR 64 Cb 0.36 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 3i5k h TYR 64 CO 0.02 -0.09 0.60 -0.44 -1.64 0.00 0.00 178.16 176.62 3i5k h ASP 65 N -0.14 0.98 -0.51 -2.11 3.32 -1.19 -1.22 116.42 115.57 3i5k h ASP 65 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3i5k h ASP 65 Cb 0.12 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3i5k h ASP 65 CO 0.01 0.65 0.06 -1.28 -1.72 0.00 0.00 179.24 176.96 3i5k h SER 66 N 1.13 0.82 -0.34 6.45 0.87 -1.16 -1.48 113.55 119.84 3i5k h SER 66 Ca 0.39 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 3i5k h SER 66 Cb 0.07 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3i5k h SER 66 CO -0.14 0.89 -0.10 0.58 -0.53 0.00 0.00 176.83 177.52 3i5k h VAL 67 N 0.73 1.28 -0.76 2.23 2.07 -0.93 -2.68 116.25 118.18 3i5k h VAL 67 Ca 0.15 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.53 3i5k h VAL 67 Cb 0.43 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3i5k h VAL 67 CO 0.01 0.38 0.48 0.25 0.02 0.00 0.00 177.57 178.71 3i5k h LEU 68 N 0.44 0.78 -0.25 2.57 5.85 -1.16 -1.43 115.31 122.11 3i5k h LEU 68 Ca 0.08 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3i5k h LEU 68 Cb 0.61 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3i5k h LEU 68 CO 0.04 0.53 -0.02 0.50 -0.34 0.00 0.00 178.44 179.15 3i5k h LYS 69 N 0.93 0.05 -0.83 1.25 3.64 -1.14 -0.75 116.57 119.72 3i5k h LYS 69 Ca 0.31 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3i5k h LYS 69 Cb 0.04 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 3i5k h LYS 69 CO -0.12 0.03 0.52 -0.44 -2.27 0.00 0.00 179.45 177.17 3i5k h ASP 70 N 0.05 0.97 -0.14 4.20 3.32 -1.19 -2.60 116.42 121.04 3i5k h ASP 70 Ca 0.12 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i5k h ASP 70 Cb 0.17 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3i5k h ASP 70 CO -0.22 0.73 0.07 0.40 -1.72 0.00 0.00 179.24 178.50 3i5k h ILE 71 N 1.13 1.11 -0.95 0.35 2.04 -0.64 -0.94 117.51 119.60 3i5k h ILE 71 Ca 0.30 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3i5k h ILE 71 Cb -0.08 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3i5k h ILE 71 CO -0.06 0.10 0.63 0.11 0.00 0.00 0.00 178.15 178.93 3i5k h LYS 72 N 0.11 1.21 -0.62 2.37 1.57 -1.11 0.14 116.57 120.24 3i5k h LYS 72 Ca 0.05 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3i5k h LYS 72 Cb 0.10 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3i5k h LYS 72 CO -0.01 0.80 0.17 1.25 -0.57 0.00 0.00 179.45 181.10 3i5k h LEU 73 N 1.25 0.91 -0.59 2.94 5.85 -1.22 -1.70 115.31 122.76 3i5k h LEU 73 Ca 0.36 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3i5k h LEU 73 Cb -0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 3i5k h LEU 73 CO -0.09 0.89 0.11 0.00 -0.34 0.00 0.00 178.44 179.01 3i5k h ALA 74 N 1.06 0.79 -0.24 1.25 0.00 -0.62 -2.72 119.26 118.78 3i5k h ALA 74 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i5k h ALA 74 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i5k h ALA 74 CO -0.00 0.53 0.15 0.00 0.00 0.00 0.00 179.25 179.92 3i5k h ALA 75 N 1.02 1.82 0.00 0.00 0.00 -0.59 -2.57 119.26 118.94 3i5k h ALA 75 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i5k h ALA 75 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i5k h ALA 75 CO 0.01 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 3i5k n SER 76 N -4.49 0.34 0.04 0.00 3.41 -0.65 -1.54 113.62 110.72 3i5k n SER 76 Ca 0.01 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 3i5k n SER 76 Cb 0.08 -0.68 0.45 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.92 0.11 -3.09 4.33 4.76 -0.97 -4.62 118.16 116.75 3i5k n LYS 77 Ca 0.01 0.07 -0.39 0.00 -2.87 0.00 0.00 58.31 55.12 3i5k n LYS 77 Cb 0.10 -1.61 -0.05 0.00 -1.84 0.00 0.00 35.03 31.63 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 -3.05 4.81 -0.13 -0.18 1.01 -0.59 -4.98 120.40 117.29 3i5k s VAL 78 Ca 0.12 1.44 -0.00 0.00 0.00 0.00 0.00 61.98 63.53 3i5k s VAL 78 Cb 0.16 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3i5k s VAL 78 CO 0.60 0.39 -0.12 -0.44 0.00 0.00 0.00 175.10 175.53 3i5k s SER 79 N -0.15 4.06 0.12 3.32 0.01 -1.26 -0.30 113.70 119.49 3i5k s SER 79 Ca 0.35 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.33 3i5k s SER 79 Cb -0.19 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 3i5k s SER 79 CO 0.20 0.16 -0.10 0.00 0.41 0.00 0.00 173.24 173.90 3i5k s ALA 80 N 0.39 1.27 0.24 1.44 0.00 -0.32 -4.96 121.76 119.83 3i5k s ALA 80 Ca -0.10 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.63 3i5k s ALA 80 Cb -0.16 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 3i5k s ALA 80 CO 0.05 -0.05 -0.13 -0.98 0.00 0.00 0.00 175.76 174.66 3i5k s ARG 81 N -3.14 1.47 0.45 0.00 1.70 -1.26 -4.28 118.95 113.89 3i5k s ARG 81 Ca 0.10 -1.69 -0.25 0.00 -0.47 0.00 0.00 55.73 53.43 3i5k s ARG 81 Cb -0.01 -1.26 -0.08 0.00 -0.57 0.00 0.00 34.95 33.04 3i5k s ARG 81 CO 0.00 0.17 1.32 -0.51 -1.08 0.00 0.00 175.30 175.20 3i5k s LEU 82 N -3.39 4.10 0.23 -1.89 1.43 -1.26 -4.56 118.68 113.33 3i5k s LEU 82 Ca 0.26 2.68 -0.24 0.00 -1.03 0.00 0.00 54.13 55.81 3i5k s LEU 82 Cb -0.00 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 3i5k s LEU 82 CO 0.10 -1.06 0.81 -0.76 0.23 0.00 0.00 176.35 175.66 3i5k s LEU 83 N -2.78 4.44 0.78 1.79 1.02 -0.11 -5.04 118.68 118.78 3i5k s LEU 83 Ca 0.61 1.63 -0.11 0.00 0.02 0.00 0.00 54.13 56.28 3i5k s LEU 83 Cb -0.38 -3.60 0.06 0.00 0.02 0.00 0.00 46.19 42.29 3i5k s LEU 83 CO 0.48 0.07 1.11 0.42 0.02 0.00 0.00 176.35 178.45 3i5k s THR 84 N -1.41 3.06 0.24 5.49 -4.23 -1.26 -4.63 115.64 112.90 3i5k s THR 84 Ca 0.42 0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 61.26 3i5k s THR 84 Cb -0.20 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.07 3i5k s THR 84 CO 0.24 -0.42 1.80 0.25 -0.54 0.00 0.00 174.62 175.95 3i5k h LEU 85 N -1.04 0.62 -0.66 4.79 6.46 -1.98 -2.04 115.31 121.46 3i5k h LEU 85 Ca -0.44 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.38 3i5k h LEU 85 Cb 1.24 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 3i5k h LEU 85 CO 0.50 0.35 0.43 -0.08 -0.62 0.00 0.00 178.44 179.02 3i5k h GLU 86 N 0.74 0.85 -0.44 1.25 4.81 -1.99 -0.76 114.58 119.04 3i5k h GLU 86 Ca 0.40 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 3i5k h GLU 86 Cb 0.40 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3i5k h GLU 86 CO -0.26 0.56 0.17 0.93 -0.73 0.00 0.00 179.01 179.68 3i5k h GLU 87 N 0.88 0.67 -0.51 1.92 5.08 -1.78 -1.96 114.58 118.87 3i5k h GLU 87 Ca 0.25 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3i5k h GLU 87 Cb -0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3i5k h GLU 87 CO -0.06 0.62 0.28 0.00 -1.00 0.00 0.00 179.01 178.85 3i5k h ALA 88 N 1.02 0.65 -0.90 3.43 0.00 -1.19 -2.68 119.26 119.59 3i5k h ALA 88 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3i5k h ALA 88 Cb 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3i5k h ALA 88 CO -0.01 0.17 0.59 0.00 0.00 0.00 0.00 179.25 179.99 3i5k h GLN 90 N 1.14 0.00 -0.00 0.00 1.08 -1.02 -2.43 115.11 113.88 3i5k h GLN 90 Ca 0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 3i5k h GLN 90 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3i5k h GLN 90 CO -0.12 0.00 -0.14 1.28 -0.95 0.00 0.00 178.83 178.91 3i5k n LEU 91 N -2.74 0.23 -4.68 1.46 4.77 -1.02 -4.80 117.00 110.21 3i5k n LEU 91 Ca 0.01 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 3i5k n LEU 91 Cb 0.27 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3i5k n LEU 91 CO 0.24 0.05 1.06 -0.89 -1.33 0.00 0.00 177.39 176.52 3i5k s THR 92 N -2.82 4.00 0.51 -5.08 2.01 -0.91 -0.23 115.64 113.12 3i5k s THR 92 Ca 0.19 1.33 -0.23 0.00 0.31 0.00 0.00 61.69 63.29 3i5k s THR 92 Cb 0.19 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 3i5k s THR 92 CO 0.54 -0.02 1.30 -2.16 -0.69 0.00 0.00 174.62 173.60 3i5k s PRO 93 N 2.57 3.40 0.50 4.92 0.04 -1.26 -4.75 135.00 140.41 3i5k s PRO 93 Ca 0.60 2.11 0.30 0.00 0.04 0.00 0.00 61.00 64.05 3i5k s PRO 93 Cb -0.27 -2.36 1.39 0.00 0.04 0.00 0.00 34.50 33.30 3i5k s PRO 93 CO 0.23 -0.94 1.82 -1.35 0.04 0.00 0.00 177.00 176.79 3i5k h PRO 94 N 1.76 0.12 -0.24 0.56 0.11 -1.95 -2.06 132.00 130.29 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 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i5k h PRO 94 CO 0.59 0.08 0.00 0.72 -0.21 0.00 0.00 178.00 179.18 3i5k n HIS 95 N -4.34 0.40 -1.47 0.65 8.25 -1.26 -4.29 115.22 113.17 3i5k n HIS 95 Ca 0.24 -0.57 -0.51 0.00 -0.26 0.00 0.00 57.72 56.61 3i5k n HIS 95 Cb 1.06 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 32.05 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 0.06 -0.37 -4.64 0.41 2.88 -0.78 -4.77 113.62 106.41 3i5k n SER 96 Ca 0.10 1.14 -0.51 0.00 -1.33 0.00 0.00 58.87 58.27 3i5k n SER 96 Cb 0.46 -1.00 -0.06 0.00 -0.75 0.00 0.00 64.21 62.86 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 0.68 -0.15 -1.07 -1.46 0.00 -1.26 -4.06 120.51 113.19 3i5k n ALA 97 Ca 0.18 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.75 3i5k n ALA 97 Cb 0.20 -2.20 0.12 0.00 0.00 0.00 0.00 19.45 17.57 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 1.49 1.75 0.40 0.00 1.70 -1.26 -4.46 118.95 118.56 3i5k s ARG 98 Ca 0.87 1.50 -0.23 0.00 -0.47 0.00 0.00 55.73 57.39 3i5k s ARG 98 Cb -0.89 -1.81 -0.10 0.00 -0.57 0.00 0.00 34.95 31.58 3i5k s ARG 98 CO 0.49 -2.07 0.99 0.45 -1.08 0.00 0.00 175.30 174.08 3i5k s SER 99 N -2.68 6.91 0.43 -2.89 0.15 0.67 -4.60 113.70 111.68 3i5k s SER 99 Ca 0.67 1.87 0.30 0.00 0.70 0.00 0.00 55.95 59.49 3i5k s SER 99 Cb -0.23 -2.57 1.43 0.00 -1.71 0.00 0.00 66.02 62.94 3i5k s SER 99 CO 0.53 -0.38 1.90 0.50 1.20 0.00 0.00 173.24 176.99 3i5k h LYS 100 N 2.39 0.00 -0.83 5.44 3.64 -1.95 -3.25 116.57 122.01 3i5k h LYS 100 Ca -0.48 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.38 3i5k h LYS 100 Cb 1.20 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.74 3i5k h LYS 100 CO 0.62 0.00 0.37 0.66 -2.27 0.00 0.00 179.45 178.84 3i5k n TYR 101 N -2.60 2.69 -1.42 1.91 4.01 -1.26 -4.92 117.16 115.56 3i5k n TYR 101 Ca -0.00 -2.31 0.00 0.00 -0.16 0.00 0.00 57.90 55.43 3i5k n TYR 101 Cb 0.16 -0.96 0.00 0.00 -0.31 0.00 0.00 39.34 38.22 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 -0.99 0.58 3.32 2.72 0.00 -1.22 -5.00 105.19 104.60 3i5k n GLY 102 Ca 0.53 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.23 0.00 1.61 -0.12 -1.26 -4.98 117.98 111.00 3i5k s PHE 103 Ca 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 3i5k s PHE 103 Cb 0.00 0.26 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 3i5k s PHE 103 CO 0.00 -0.68 0.00 0.41 -0.05 0.00 0.00 175.22 174.90 3i5k n GLY 104 N -0.06 5.98 0.33 1.99 0.00 -1.26 -0.24 105.19 111.93 3i5k n GLY 104 Ca -0.17 -2.01 -0.04 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 1.15 -0.55 4.61 0.00 -1.83 -1.80 119.26 121.84 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 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3i5k h ALA 105 CO 0.00 0.61 0.32 -0.22 0.00 0.00 0.00 179.25 179.96 3i5k h LYS 106 N 1.03 0.61 -0.02 0.00 3.64 -1.91 -0.62 116.57 119.31 3i5k h LYS 106 Ca 0.24 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 3i5k h LYS 106 Cb 0.21 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3i5k h LYS 106 CO -0.02 0.41 -0.50 0.93 -2.27 0.00 0.00 179.45 178.00 3i5k h GLU 107 N 0.63 0.04 0.17 1.90 3.07 -1.87 -2.01 114.58 116.51 3i5k h GLU 107 Ca 0.23 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 3i5k h GLU 107 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3i5k h GLU 107 CO -0.11 0.53 -0.08 0.28 -1.40 0.00 0.00 179.01 178.22 3i5k h VAL 108 N 0.03 0.94 0.00 3.13 2.07 -0.91 -1.37 116.25 120.14 3i5k h VAL 108 Ca -0.00 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3i5k h VAL 108 Cb 0.89 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3i5k h VAL 108 CO 0.07 0.14 -0.18 0.03 0.02 0.00 0.00 177.57 177.65 3i5k h ARG 109 N -0.54 0.00 -0.68 1.57 3.08 -1.06 -1.68 114.38 115.08 3i5k h ARG 109 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3i5k h ARG 109 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3i5k h ARG 109 CO 0.04 0.18 0.00 -1.13 -1.07 0.00 0.00 179.97 177.99 3i5k n SER 110 N -3.85 3.91 -4.06 7.04 3.41 -0.76 -4.87 113.62 114.44 3i5k n SER 110 Ca -0.02 -2.13 -0.30 0.00 -0.26 0.00 0.00 58.87 56.16 3i5k n SER 110 Cb 0.28 -0.49 -0.02 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 1.36 -2.06 -4.74 1.04 4.77 -0.63 -4.92 117.00 111.82 3i5k n LEU 111 Ca 0.23 -0.98 -0.35 0.00 -0.03 0.00 0.00 56.01 54.88 3i5k n LEU 111 Cb 0.66 -2.21 0.06 0.00 -2.33 0.00 0.00 43.42 39.60 3i5k n LEU 111 CO 0.18 0.38 0.81 -0.94 -1.33 0.00 0.00 177.39 176.49 3i5k s SER 112 N -3.82 4.73 0.19 -1.43 1.04 -0.54 -4.78 113.70 109.09 3i5k s SER 112 Ca 0.38 2.34 -0.11 0.00 0.48 0.00 0.00 55.95 59.03 3i5k s SER 112 Cb -0.20 -2.59 0.18 0.00 0.10 0.00 0.00 66.02 63.51 3i5k s SER 112 CO 0.90 -1.90 1.79 1.23 0.98 0.00 0.00 173.24 176.24 3i5k h GLY 113 N 0.26 0.82 0.86 7.32 0.00 -1.91 -1.14 103.07 109.28 3i5k h GLY 113 Ca -0.49 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 46.66 3i5k h GLY 113 CO 0.53 0.13 0.20 -0.09 0.00 0.00 0.00 176.54 177.30 3i5k h ARG 114 N 0.57 0.40 0.56 4.80 2.43 -1.96 0.11 114.38 121.29 3i5k h ARG 114 Ca 0.26 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 3i5k h ARG 114 Cb 0.16 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3i5k h ARG 114 CO -0.17 0.26 -0.27 0.00 -1.51 0.00 0.00 179.97 178.28 3i5k h ALA 115 N 1.18 -0.75 -0.51 2.80 0.00 -1.76 -2.15 119.26 118.08 3i5k h ALA 115 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i5k h ALA 115 Cb 0.04 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3i5k h ALA 115 CO -0.09 -0.91 0.31 0.28 0.00 0.00 0.00 179.25 178.84 3i5k h VAL 116 N -0.78 1.08 -0.58 0.00 2.07 -1.15 -1.55 116.25 115.33 3i5k h VAL 116 Ca -0.08 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3i5k h VAL 116 Cb 0.59 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3i5k h VAL 116 CO 0.13 0.11 0.37 0.78 0.02 0.00 0.00 177.57 178.98 3i5k h ASN 117 N 0.63 0.68 -0.38 0.57 2.35 -0.80 -1.82 115.58 116.81 3i5k h ASN 117 Ca 0.20 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3i5k h ASN 117 Cb -0.01 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3i5k h ASN 117 CO -0.08 0.51 0.02 -0.74 -1.65 0.00 0.00 177.43 175.50 3i5k h HIS 118 N 0.79 0.71 -0.34 1.19 2.76 -1.14 -2.74 115.15 116.37 3i5k h HIS 118 Ca 0.21 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 3i5k h HIS 118 Cb -0.06 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 3i5k h HIS 118 CO -0.03 0.73 -0.00 0.82 -1.30 0.00 0.00 177.93 178.15 3i5k h ILE 119 N 0.48 1.20 -0.64 6.26 2.04 -1.18 -0.90 117.51 124.78 3i5k h ILE 119 Ca 0.11 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 3i5k h ILE 119 Cb 0.43 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3i5k h ILE 119 CO 0.01 0.27 0.22 0.11 0.00 0.00 0.00 178.15 178.77 3i5k h LYS 120 N 0.51 0.96 0.00 2.37 1.57 -1.22 -1.28 116.57 119.48 3i5k h LYS 120 Ca 0.11 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 3i5k h LYS 120 Cb 0.34 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3i5k h LYS 120 CO 0.01 0.81 -0.55 0.66 -0.57 0.00 0.00 179.45 179.81 3i5k h SER 121 N 0.94 0.00 -0.25 0.86 4.64 -1.08 -1.30 113.55 117.36 3i5k h SER 121 Ca 0.21 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.41 3i5k h SER 121 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3i5k h SER 121 CO -0.01 0.55 -0.33 0.58 -0.87 0.00 0.00 176.83 176.75 3i5k h VAL 122 N 0.00 1.31 -0.01 0.95 2.07 -0.98 -2.42 116.25 117.18 3i5k h VAL 122 Ca -0.01 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 3i5k h VAL 122 Cb 1.32 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3i5k h VAL 122 CO 0.07 0.48 0.00 -0.25 0.02 0.00 0.00 177.57 177.89 3i5k h TRP 123 N 0.38 0.01 -0.92 1.57 2.91 -1.17 -1.37 115.95 117.37 3i5k h TRP 123 Ca 0.03 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.16 3i5k h TRP 123 Cb 0.91 -0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 29.48 3i5k h TRP 123 CO 0.08 0.11 0.56 -0.22 -1.03 0.00 0.00 178.44 177.93 3i5k h LYS 124 N -0.09 0.87 -0.15 2.65 3.64 -1.30 -1.49 116.57 120.70 3i5k h LYS 124 Ca 0.00 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 3i5k h LYS 124 Cb 0.10 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3i5k h LYS 124 CO -0.00 0.58 -0.39 0.22 -2.27 0.00 0.00 179.45 177.59 3i5k h ASP 125 N 0.90 0.34 -0.87 4.20 3.58 -1.24 -1.94 116.42 121.39 3i5k h ASP 125 Ca 0.45 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 3i5k h ASP 125 Cb 0.44 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 3i5k h ASP 125 CO -0.26 0.70 0.54 -0.07 -2.88 0.00 0.00 179.24 177.26 3i5k h LEU 126 N 0.27 1.03 -0.91 2.28 3.38 -0.27 -0.39 115.31 120.70 3i5k h LEU 126 Ca 0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3i5k h LEU 126 Cb 0.81 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3i5k h LEU 126 CO 0.06 0.78 -0.35 -0.07 0.09 0.00 0.00 178.44 178.96 3i5k h LEU 127 N 1.19 0.00 0.00 1.67 3.38 -0.91 -3.30 115.31 117.34 3i5k h LEU 127 Ca 0.31 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.03 3i5k h LEU 127 Cb -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3i5k h LEU 127 CO -0.06 0.35 -1.98 1.21 0.09 0.00 0.00 178.44 178.05 3i5k n GLU 128 N -3.49 0.66 -3.87 1.13 2.13 -0.77 -4.86 120.64 111.58 3i5k n GLU 128 Ca -0.00 0.07 -0.30 0.00 0.66 0.00 0.00 57.16 57.59 3i5k n GLU 128 Cb 0.51 -1.64 -0.16 0.00 0.27 0.00 0.00 31.44 30.42 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 -5.52 3.80 0.00 4.31 2.15 -0.17 -4.98 116.67 116.25 3i5k s ASP 129 Ca -0.07 -1.29 0.19 0.00 0.43 0.00 0.00 52.55 51.81 3i5k s ASP 129 Cb 0.08 -1.06 0.52 0.00 -0.30 0.00 0.00 42.92 42.16 3i5k s ASP 129 CO 0.84 -0.29 1.43 -0.81 -0.17 0.00 0.00 175.17 176.16 3i5k n PRO 130 N 4.73 2.26 -0.02 4.34 -0.04 -1.26 -4.60 135.00 140.41 3i5k n PRO 130 Ca -0.08 -1.94 -0.07 0.00 -0.04 0.00 0.00 63.50 61.37 3i5k n PRO 130 Cb 0.44 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 3i5k n PRO 130 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i5k n GLN 131 N 1.10 0.19 -1.83 0.54 -0.06 -1.26 -4.46 117.38 111.60 3i5k n GLN 131 Ca 0.19 0.08 -0.42 0.00 -2.00 0.00 0.00 57.00 54.84 3i5k n GLN 131 Cb 0.48 -0.83 -0.03 0.00 -4.06 0.00 0.00 30.24 25.80 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 -2.25 3.14 0.25 1.69 2.01 -1.26 -4.65 115.64 114.57 3i5k s THR 132 Ca -0.12 0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.90 3i5k s THR 132 Cb 0.03 -3.21 -0.13 0.00 0.01 0.00 0.00 72.50 69.20 3i5k s THR 132 CO 0.16 -0.02 1.39 -2.65 -0.69 0.00 0.00 174.62 172.80 3i5k n PRO 133 N 6.79 2.02 -3.27 4.92 -0.02 -1.26 -4.71 135.00 139.46 3i5k n PRO 133 Ca 0.18 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.99 3i5k n PRO 133 Cb 0.41 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.18 5.16 0.51 4.25 1.01 0.02 -4.96 121.20 127.01 3i5k s ILE 134 Ca 0.67 1.00 -0.22 0.00 0.00 0.00 0.00 60.65 62.09 3i5k s ILE 134 Cb -0.64 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 3i5k s ILE 134 CO 0.51 0.29 1.29 -2.16 0.00 0.00 0.00 174.94 174.86 3i5k s PRO 135 N 0.86 3.41 0.28 2.79 0.04 -1.26 -4.47 135.00 136.65 3i5k s PRO 135 Ca 0.27 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.44 3i5k s PRO 135 Cb -0.15 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 3i5k s PRO 135 CO 0.11 -0.92 -0.08 0.95 0.04 0.00 0.00 177.00 177.10 3i5k s THR 136 N -1.39 1.75 -0.10 1.26 -4.23 -0.86 -4.42 115.64 107.65 3i5k s THR 136 Ca 0.68 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3i5k s THR 136 Cb -0.36 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 3i5k s THR 136 CO 0.43 -0.32 -0.05 -0.89 -0.54 0.00 0.00 174.62 173.25 3i5k s THR 137 N -2.94 3.82 -0.17 3.99 2.01 0.06 -1.01 115.64 121.39 3i5k s THR 137 Ca 0.29 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 3i5k s THR 137 Cb 0.03 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 3i5k s THR 137 CO 0.12 0.57 0.00 -0.51 -0.69 0.00 0.00 174.62 174.11 3i5k s ILE 138 N -0.45 4.18 0.05 1.82 2.07 -0.46 -1.59 121.20 126.81 3i5k s ILE 138 Ca 0.07 -0.25 0.04 0.00 -1.41 0.00 0.00 60.65 59.10 3i5k s ILE 138 Cb -0.12 -2.86 -0.03 0.00 0.13 0.00 0.00 42.46 39.58 3i5k s ILE 138 CO 0.02 0.47 -0.13 -0.04 -1.91 0.00 0.00 174.94 173.35 3i5k s MET 139 N 0.51 0.80 -0.14 3.50 -1.94 -0.08 -4.49 119.30 117.45 3i5k s MET 139 Ca -0.01 -0.84 -0.26 0.00 -1.71 0.00 0.00 55.69 52.87 3i5k s MET 139 Cb -0.14 -0.77 -0.02 0.00 2.01 0.00 0.00 34.83 35.92 3i5k s MET 139 CO 0.02 0.18 0.87 0.00 -0.01 0.00 0.00 175.02 176.07 3i5k s ALA 140 N -1.12 3.47 0.32 3.03 0.00 -1.26 -0.40 121.76 125.80 3i5k s ALA 140 Ca -0.02 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 3i5k s ALA 140 Cb -0.09 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3i5k s ALA 140 CO 0.02 -0.59 1.25 0.15 0.00 0.00 0.00 175.76 176.58 3i5k s LYS 141 N 2.00 4.44 -0.55 0.00 1.02 0.56 -4.69 119.74 122.52 3i5k s LYS 141 Ca 0.41 2.10 -0.17 0.00 0.02 0.00 0.00 55.97 58.33 3i5k s LYS 141 Cb -0.17 -3.11 0.12 0.00 -0.52 0.00 0.00 37.83 34.15 3i5k s LYS 141 CO 0.14 -0.07 0.54 -0.80 -0.92 0.00 0.00 175.35 174.24 3i5k s ASN 142 N -0.60 6.19 0.10 2.83 0.02 -1.26 -4.35 114.94 117.87 3i5k s ASN 142 Ca 0.48 -1.67 0.07 0.00 -1.02 0.00 0.00 52.86 50.72 3i5k s ASN 142 Cb -0.37 -2.23 -0.03 0.00 0.02 0.00 0.00 41.25 38.63 3i5k s ASN 142 CO 0.49 -0.90 -0.18 -1.61 0.02 0.00 0.00 177.10 174.93 3i5k s GLU 143 N 1.85 1.04 -0.12 -0.60 2.02 -1.25 -4.88 118.70 116.75 3i5k s GLU 143 Ca 0.05 -1.14 -0.05 0.00 0.02 0.00 0.00 54.97 53.85 3i5k s GLU 143 Cb -0.28 -1.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.76 3i5k s GLU 143 CO 0.04 0.26 0.08 0.08 0.02 0.00 0.00 175.26 175.74 3i5k s VAL 144 N -1.43 5.02 0.18 2.63 1.01 -1.26 -0.76 120.40 125.80 3i5k s VAL 144 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3i5k s VAL 144 Cb -0.09 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3i5k s VAL 144 CO 0.04 0.59 0.16 -0.36 0.00 0.00 0.00 175.10 175.52 3i5k s PHE 145 N -0.76 0.93 0.02 5.22 0.08 -0.36 -4.77 117.98 118.34 3i5k s PHE 145 Ca 0.13 -1.22 -0.12 0.00 0.12 0.00 0.00 56.93 55.84 3i5k s PHE 145 Cb -0.12 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.86 3i5k s PHE 145 CO 0.03 -0.65 0.37 0.00 -0.10 0.00 0.00 175.22 174.87 3i5k s VAL 147 N -1.20 2.24 -0.37 0.00 -7.23 0.90 -4.97 120.40 109.77 3i5k s VAL 147 Ca 0.27 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 3i5k s VAL 147 Cb -0.15 -3.08 0.12 0.00 0.56 0.00 0.00 36.38 33.83 3i5k s VAL 147 CO 0.14 -0.01 0.18 -0.62 -0.31 0.00 0.00 175.10 174.49 3i5k s ASP 148 N -1.13 3.62 0.47 4.85 2.15 -0.97 -4.99 116.67 120.66 3i5k s ASP 148 Ca 0.73 -2.17 0.19 0.00 0.43 0.00 0.00 52.55 51.73 3i5k s ASP 148 Cb -0.38 -0.82 1.14 0.00 -0.30 0.00 0.00 42.92 42.57 3i5k s ASP 148 CO 0.44 -0.33 2.01 1.55 -0.17 0.00 0.00 175.17 178.67 3i5k h PRO 149 N 7.29 0.00 -0.70 4.34 0.13 -1.94 -0.61 132.00 140.51 3i5k h PRO 149 Ca -0.04 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.12 3i5k h PRO 149 Cb 0.97 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 3i5k h PRO 149 CO 0.43 0.17 0.46 0.00 -0.23 0.00 0.00 178.00 178.84 3i5k h ALA 150 N 1.83 1.59 -0.72 -0.56 0.00 -1.95 -2.83 119.26 116.62 3i5k h ALA 150 Ca -0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 54.91 54.46 3i5k h ALA 150 Cb 0.34 -0.24 -0.24 0.00 0.00 0.00 0.00 17.79 17.65 3i5k h ALA 150 CO 0.02 0.35 0.27 1.63 0.00 0.00 0.00 179.25 181.52 3i5k n LYS 151 N -4.45 2.26 -0.56 0.00 5.02 -0.35 -4.94 118.16 115.13 3i5k n LYS 151 Ca 0.09 -3.22 0.00 0.00 -2.02 0.00 0.00 58.31 53.15 3i5k n LYS 151 Cb 0.11 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 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 -1.07 0.70 6.88 0.72 0.00 -1.05 -4.79 105.19 106.58 3i5k n GLY 152 Ca 0.49 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.44 2.04 3.52 -0.02 0.00 -0.55 -4.89 105.19 102.85 3i5k n GLY 153 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 3.31 0.31 1.61 1.02 -1.26 -2.29 119.74 122.45 3i5k s LYS 154 Ca 0.00 -0.54 -0.28 0.00 0.02 0.00 0.00 55.97 55.17 3i5k s LYS 154 Cb 0.00 -2.78 -0.09 0.00 -0.52 0.00 0.00 37.83 34.44 3i5k s LYS 154 CO 0.00 0.40 1.13 0.15 -0.92 0.00 0.00 175.35 176.11 3i5k s LYS 155 N -0.09 4.48 0.58 1.68 1.02 -1.26 -5.05 119.74 121.10 3i5k s LYS 155 Ca 0.01 1.84 -0.16 0.00 0.02 0.00 0.00 55.97 57.68 3i5k s LYS 155 Cb -0.13 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 3i5k s LYS 155 CO 0.03 0.05 1.04 -1.25 -0.92 0.00 0.00 175.35 174.30 3i5k s PRO 156 N -1.71 3.45 0.33 -1.68 0.04 -1.26 -4.85 135.00 129.32 3i5k s PRO 156 Ca 0.48 1.14 -0.27 0.00 0.04 0.00 0.00 61.00 62.39 3i5k s PRO 156 Cb -0.32 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.04 3i5k s PRO 156 CO 0.41 -0.70 1.13 0.00 0.04 0.00 0.00 177.00 177.89 3i5k n ALA 157 N -1.96 0.50 -1.68 8.56 0.00 -1.26 -4.95 120.51 119.73 3i5k n ALA 157 Ca 0.08 0.35 -0.32 0.00 0.00 0.00 0.00 53.44 53.55 3i5k n ALA 157 Cb 0.53 -2.13 0.01 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.77 3.35 -0.16 0.00 0.52 -1.26 -4.69 118.95 114.94 3i5k s ARG 158 Ca 0.58 1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 56.90 3i5k s ARG 158 Cb -0.62 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 3i5k s ARG 158 CO 0.61 -0.78 -0.02 -0.51 0.02 0.00 0.00 175.30 174.62 3i5k s LEU 159 N -4.54 3.35 -0.18 2.53 1.43 -1.26 -0.32 118.68 119.69 3i5k s LEU 159 Ca 0.63 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.58 3i5k s LEU 159 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3i5k s LEU 159 CO 0.38 0.16 -0.01 -0.51 0.23 0.00 0.00 176.35 176.60 3i5k s ILE 160 N 0.43 4.01 -0.21 -0.59 1.10 0.46 -4.81 121.20 121.58 3i5k s ILE 160 Ca -0.02 -0.31 -0.00 0.00 -0.51 0.00 0.00 60.65 59.81 3i5k s ILE 160 Cb -0.14 -2.79 0.02 0.00 0.15 0.00 0.00 42.46 39.70 3i5k s ILE 160 CO 0.02 0.46 -0.13 -0.69 -2.11 0.00 0.00 174.94 172.49 3i5k s VAL 161 N 0.67 2.49 0.01 4.00 1.01 -1.26 -0.90 120.40 126.42 3i5k s VAL 161 Ca -0.01 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 3i5k s VAL 161 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3i5k s VAL 161 CO 0.02 0.37 0.14 -0.72 0.00 0.00 0.00 175.10 174.91 3i5k s TYR 162 N 1.31 0.05 0.90 5.22 -0.85 -0.62 -0.74 117.35 122.62 3i5k s TYR 162 Ca 0.02 -0.18 -0.11 0.00 -0.52 0.00 0.00 57.07 56.29 3i5k s TYR 162 Cb -0.15 -0.05 0.19 0.00 0.38 0.00 0.00 41.96 42.33 3i5k s TYR 162 CO -0.08 -0.32 1.23 -1.25 -1.52 0.00 0.00 175.55 173.61 3i5k s PRO 163 N -1.64 0.84 0.58 -3.49 0.04 -1.26 -0.76 135.00 129.31 3i5k s PRO 163 Ca -0.13 -0.76 -0.19 0.00 0.04 0.00 0.00 61.00 59.96 3i5k s PRO 163 Cb -0.06 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3i5k s PRO 163 CO 0.00 -2.18 1.18 0.34 0.04 0.00 0.00 177.00 176.39 3i5k s ASP 164 N -4.89 5.33 0.32 6.66 2.15 -1.26 -4.77 116.67 120.21 3i5k s ASP 164 Ca 0.73 2.31 0.09 0.00 0.43 0.00 0.00 52.55 56.11 3i5k s ASP 164 Cb -0.03 -2.59 0.93 0.00 -0.30 0.00 0.00 42.92 40.93 3i5k s ASP 164 CO 0.50 -1.49 1.63 0.25 -0.17 0.00 0.00 175.17 175.89 3i5k h LEU 165 N 0.94 0.11 -0.57 -1.34 5.85 -1.81 0.04 115.31 118.52 3i5k h LEU 165 Ca -0.50 0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.49 3i5k h LEU 165 Cb 1.29 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 3i5k h LEU 165 CO 0.56 -0.24 0.30 1.23 -0.34 0.00 0.00 178.44 179.95 3i5k h GLY 166 N 0.17 0.82 1.08 3.75 0.00 -1.94 -1.90 103.07 105.04 3i5k h GLY 166 Ca 0.66 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.70 3i5k h GLY 166 CO -0.71 0.13 0.05 -2.08 0.00 0.00 0.00 176.54 173.93 3i5k h VAL 167 N 0.57 1.27 -0.62 4.60 2.07 -1.37 -2.92 116.25 119.84 3i5k h VAL 167 Ca 0.25 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3i5k h VAL 167 Cb 0.16 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3i5k h VAL 167 CO -0.17 0.41 0.41 0.03 0.02 0.00 0.00 177.57 178.27 3i5k h ARG 168 N 1.01 0.82 -0.61 1.57 3.08 -0.86 -1.23 114.38 118.17 3i5k h ARG 168 Ca 0.19 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3i5k h ARG 168 Cb 0.51 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3i5k h ARG 168 CO 0.02 0.55 0.05 0.28 -1.07 0.00 0.00 179.97 179.81 3i5k h VAL 169 N 0.85 1.26 -0.69 2.04 2.07 -1.28 -3.13 116.25 117.37 3i5k h VAL 169 Ca 0.23 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 3i5k h VAL 169 Cb -0.09 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3i5k h VAL 169 CO -0.05 0.39 0.17 0.00 0.02 0.00 0.00 177.57 178.11 3i5k h GLU 171 N 1.04 0.68 -0.60 0.00 5.08 -1.24 -1.89 114.58 117.65 3i5k h GLU 171 Ca 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3i5k h GLU 171 Cb 0.36 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3i5k h GLU 171 CO 0.00 0.45 0.35 0.87 -1.00 0.00 0.00 179.01 179.68 3i5k h LYS 172 N 0.70 0.82 -0.60 2.33 1.57 -1.41 0.91 116.57 120.89 3i5k h LYS 172 Ca 0.34 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 3i5k h LYS 172 Cb 0.29 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3i5k h LYS 172 CO -0.23 0.60 0.35 0.52 -0.57 0.00 0.00 179.45 180.12 3i5k h MET 173 N 0.81 0.65 0.14 3.15 2.86 -1.04 -1.44 114.93 120.06 3i5k h MET 173 Ca 0.21 -0.04 -0.29 0.00 -2.06 0.00 0.00 59.70 57.53 3i5k h MET 173 Cb -0.00 -0.15 0.03 0.00 0.06 0.00 0.00 31.60 31.54 3i5k h MET 173 CO -0.04 0.43 -1.21 0.00 1.06 0.00 0.00 176.91 177.15 3i5k h ALA 174 N 1.29 -0.04 0.00 6.32 0.00 -1.05 -0.27 119.26 125.50 3i5k h ALA 174 Ca 0.25 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3i5k h ALA 174 Cb 0.09 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i5k h ALA 174 CO -0.13 0.63 -0.13 1.28 0.00 0.00 0.00 179.25 180.91 3i5k n LEU 175 N -3.84 0.00 -0.09 0.00 4.77 0.29 -4.78 117.00 113.34 3i5k n LEU 175 Ca -0.14 -0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 55.40 3i5k n LEU 175 Cb 0.97 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.04 3i5k n LEU 175 CO 0.57 0.00 0.93 0.22 -1.33 0.00 0.00 177.39 177.78 3i5k h TYR 176 N 0.00 0.42 -0.61 -1.77 3.20 -1.36 -1.39 116.97 115.47 3i5k h TYR 176 Ca 0.00 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.93 3i5k h TYR 176 Cb 0.00 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 3i5k h TYR 176 CO 0.00 0.37 0.41 0.22 -1.64 0.00 0.00 178.16 177.51 3i5k h ASP 177 N 0.36 0.45 -0.70 -2.11 3.58 -1.80 -0.88 116.42 115.32 3i5k h ASP 177 Ca 0.10 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 3i5k h ASP 177 Cb 0.09 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 3i5k h ASP 177 CO -0.01 0.29 0.23 0.40 -2.88 0.00 0.00 179.24 177.26 3i5k h ILE 178 N 0.51 1.26 0.00 2.25 2.04 -1.59 -2.51 117.51 119.47 3i5k h ILE 178 Ca 0.27 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 3i5k h ILE 178 Cb 0.40 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3i5k h ILE 178 CO -0.08 0.34 -0.01 0.71 0.00 0.00 0.00 178.15 179.11 3i5k h THR 179 N 1.03 0.39 0.00 -0.27 1.35 -0.39 0.16 112.91 115.18 3i5k h THR 179 Ca 0.23 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 3i5k h THR 179 Cb 0.29 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3i5k h THR 179 CO -0.01 0.01 -0.43 1.56 -0.25 0.00 0.00 175.52 176.41 3i5k h GLN 180 N 0.00 0.00 0.00 4.72 1.08 -1.28 -3.41 115.11 116.22 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 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3i5k h GLN 180 CO 0.00 0.00 -0.67 1.63 -0.95 0.00 0.00 178.83 178.84 3i5k n LYS 181 N -2.79 1.33 -0.04 1.46 5.02 -0.95 -4.90 118.16 117.29 3i5k n LYS 181 Ca 0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 3i5k n LYS 181 Cb 0.52 -0.83 -0.08 0.00 -0.02 0.00 0.00 35.03 34.62 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 0.23 -0.92 -0.35 5.85 -0.94 -2.70 115.31 116.49 3i5k h LEU 182 Ca 0.00 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.28 3i5k h LEU 182 Cb 0.67 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3i5k h LEU 182 CO 0.00 0.65 0.60 -0.65 -0.34 0.00 0.00 178.44 178.70 3i5k h PRO 183 N -0.19 1.14 -0.84 5.25 0.11 -1.82 -1.07 132.00 134.58 3i5k h PRO 183 Ca 0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3i5k h PRO 183 Cb 0.58 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3i5k h PRO 183 CO 0.02 0.75 0.51 1.96 -0.21 0.00 0.00 178.00 181.03 3i5k h GLN 184 N 1.17 1.13 -0.81 1.05 7.50 -1.83 -1.32 115.11 122.00 3i5k h GLN 184 Ca 0.36 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 59.37 3i5k h GLN 184 Cb -0.02 -0.24 -0.04 0.00 0.05 0.00 0.00 27.48 27.23 3i5k h GLN 184 CO -0.11 0.79 0.34 0.00 -1.50 0.00 0.00 178.83 178.35 3i5k h ALA 185 N 1.41 1.05 0.01 3.87 0.00 -0.88 0.22 119.26 124.93 3i5k h ALA 185 Ca 0.30 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 3i5k h ALA 185 Cb -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3i5k h ALA 185 CO -0.06 0.67 -1.50 -0.39 0.00 0.00 0.00 179.25 177.96 3i5k h VAL 186 N 1.18 1.11 0.00 0.00 -1.51 -1.06 -3.41 116.25 112.54 3i5k h VAL 186 Ca 0.27 -2.90 0.00 0.00 -1.23 0.00 0.00 66.70 62.84 3i5k h VAL 186 Cb 0.20 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 3i5k h VAL 186 CO -0.03 0.65 0.00 1.15 -1.23 0.00 0.00 177.57 178.12 3i5k n MET 187 N -3.17 0.27 0.00 5.19 0.00 -0.52 -4.91 117.12 113.97 3i5k n MET 187 Ca -0.12 -0.48 0.00 0.00 0.00 0.00 0.00 57.70 57.10 3i5k n MET 187 Cb 1.02 -0.68 0.00 0.00 0.00 0.00 0.00 33.22 33.56 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 -0.08 3.13 0.04 3.17 0.00 0.76 -1.48 105.19 110.75 3i5k n GLY 188 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.36 3i5k n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5k n ALA 189 N 11.31 1.76 0.24 4.61 0.00 -1.26 -2.50 120.51 134.67 3i5k n ALA 189 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.56 3i5k n ALA 189 Cb 0.00 -1.31 0.52 0.00 0.00 0.00 0.00 19.45 18.66 3i5k n ALA 189 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i5k h SER 190 N 0.00 0.00 -3.10 0.00 0.02 -1.43 -3.44 113.55 105.60 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 0.33 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 3i5k h SER 190 CO 0.00 0.11 1.12 -0.47 -1.14 0.00 0.00 176.83 176.46 3i5k s TYR 191 N -3.61 2.24 0.01 3.45 5.04 -1.04 -0.18 117.35 123.26 3i5k s TYR 191 Ca 0.01 0.66 0.14 0.00 -2.44 0.00 0.00 57.07 55.44 3i5k s TYR 191 Cb 0.09 -4.25 0.16 0.00 0.35 0.00 0.00 41.96 38.31 3i5k s TYR 191 CO 0.60 -2.26 1.48 0.78 -1.34 0.00 0.00 175.55 174.81 3i5k h GLY 192 N 12.53 0.00 2.00 8.97 0.00 -1.37 -3.30 103.07 121.90 3i5k h GLY 192 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3i5k h GLY 192 CO 1.07 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.30 3i5k n PHE 193 N -3.36 0.19 0.88 5.60 3.72 -1.26 -2.56 117.46 120.66 3i5k n PHE 193 Ca 0.01 0.07 0.14 0.00 -0.05 0.00 0.00 57.45 57.61 3i5k n PHE 193 Cb 0.73 -0.61 0.54 0.00 -0.94 0.00 0.00 39.48 39.20 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 -1.67 0.08 -4.01 -1.08 10.64 -1.24 -2.77 117.38 117.33 3i5k n GLN 194 Ca 0.04 0.07 -0.36 0.00 -1.83 0.00 0.00 57.00 54.92 3i5k n GLN 194 Cb 0.22 -1.60 -0.07 0.00 -0.86 0.00 0.00 30.24 27.93 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 -3.03 3.44 0.89 2.61 2.02 -1.06 -4.31 117.35 117.91 3i5k s TYR 195 Ca 0.13 0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 57.10 3i5k s TYR 195 Cb 0.17 -1.93 0.12 0.00 -0.40 0.00 0.00 41.96 39.92 3i5k s TYR 195 CO 0.56 0.59 1.09 -1.54 -1.57 0.00 0.00 175.55 174.68 3i5k s SER 196 N -0.78 3.54 0.21 2.29 1.04 -1.26 -4.77 113.70 113.97 3i5k s SER 196 Ca 0.13 1.56 -0.09 0.00 0.48 0.00 0.00 55.95 58.02 3i5k s SER 196 Cb -0.12 -2.23 0.31 0.00 0.10 0.00 0.00 66.02 64.08 3i5k s SER 196 CO 0.03 -2.61 1.70 -0.65 0.98 0.00 0.00 173.24 172.69 3i5k h PRO 197 N -1.53 0.25 -0.72 4.02 0.11 -1.91 -0.43 132.00 131.79 3i5k h PRO 197 Ca -0.49 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3i5k h PRO 197 Cb 1.28 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 3i5k h PRO 197 CO 0.54 0.16 0.43 0.00 -0.21 0.00 0.00 178.00 178.92 3i5k h ALA 198 N 1.50 0.96 -0.19 -0.75 0.00 -1.93 -0.91 119.26 117.94 3i5k h ALA 198 Ca 0.32 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 3i5k h ALA 198 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3i5k h ALA 198 CO -0.42 0.15 -0.36 1.96 0.00 0.00 0.00 179.25 180.58 3i5k h GLN 199 N 0.80 0.41 -0.66 0.00 4.20 -1.67 -0.73 115.11 117.46 3i5k h GLN 199 Ca 0.31 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3i5k h GLN 199 Cb 0.13 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3i5k h GLN 199 CO -0.16 0.72 0.34 -0.09 -0.67 0.00 0.00 178.83 178.98 3i5k h ARG 200 N 0.35 0.93 -0.18 1.46 2.43 -0.60 -1.37 114.38 117.40 3i5k h ARG 200 Ca 0.04 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3i5k h ARG 200 Cb 0.80 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3i5k h ARG 200 CO 0.06 0.72 0.11 0.28 -1.51 0.00 0.00 179.97 179.64 3i5k h VAL 201 N 0.91 1.07 -0.96 0.20 2.07 -0.70 -1.56 116.25 117.28 3i5k h VAL 201 Ca 0.23 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3i5k h VAL 201 Cb 0.07 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3i5k h VAL 201 CO -0.03 0.07 0.64 -0.33 0.02 0.00 0.00 177.57 177.93 3i5k h GLU 202 N 0.23 1.26 -0.15 1.57 4.39 -0.92 -1.43 114.58 119.53 3i5k h GLU 202 Ca 0.07 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3i5k h GLU 202 Cb 0.01 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 3i5k h GLU 202 CO -0.01 0.83 0.00 -0.92 -1.16 0.00 0.00 179.01 177.75 3i5k h TYR 203 N 1.29 0.28 -0.58 4.33 3.20 -1.09 -1.05 116.97 123.36 3i5k h TYR 203 Ca 0.36 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3i5k h TYR 203 Cb -0.14 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 3i5k h TYR 203 CO -0.00 0.48 0.31 -0.07 -1.64 0.00 0.00 178.16 177.25 3i5k h LEU 204 N 0.01 0.72 -0.14 2.82 3.38 -1.17 -0.38 115.31 120.55 3i5k h LEU 204 Ca 0.04 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3i5k h LEU 204 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3i5k h LEU 204 CO 0.01 0.61 0.02 -0.07 0.09 0.00 0.00 178.44 179.10 3i5k h LEU 205 N 0.78 -0.00 -0.08 1.67 3.38 -1.20 -1.27 115.31 118.58 3i5k h LEU 205 Ca 0.20 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3i5k h LEU 205 Cb 0.05 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i5k h LEU 205 CO -0.03 0.02 0.04 0.50 0.09 0.00 0.00 178.44 179.06 3i5k h LYS 206 N 0.08 0.12 -0.57 1.13 3.64 -1.08 -0.63 116.57 119.25 3i5k h LYS 206 Ca 0.06 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3i5k h LYS 206 Cb 0.06 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.74 3i5k h LYS 206 CO -0.08 0.18 -0.19 0.00 -2.27 0.00 0.00 179.45 177.08 3i5k h ALA 207 N 0.93 0.28 -0.34 5.00 0.00 -0.96 -0.80 119.26 123.37 3i5k h ALA 207 Ca 0.03 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3i5k h ALA 207 Cb 0.10 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3i5k h ALA 207 CO -0.00 -0.49 -0.03 2.35 0.00 0.00 0.00 179.25 181.07 3i5k h TRP 208 N -0.05 0.68 0.00 0.00 2.91 -1.03 -3.20 115.95 115.24 3i5k h TRP 208 Ca 0.27 -0.13 -0.06 0.00 1.13 0.00 0.00 58.89 60.10 3i5k h TRP 208 Cb 0.47 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 3i5k h TRP 208 CO -0.51 0.75 -0.28 0.00 -1.03 0.00 0.00 178.44 177.36 3i5k h ALA 209 N 0.83 1.00 0.00 2.65 0.00 -0.70 -3.06 119.26 119.99 3i5k h ALA 209 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i5k h ALA 209 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i5k h ALA 209 CO 0.02 0.35 0.00 1.05 0.00 0.00 0.00 179.25 180.68 3i5k h GLU 210 N 0.00 0.00 -6.88 0.00 4.11 -1.15 -3.45 114.58 107.21 3i5k h GLU 210 Ca -0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 3i5k h GLU 210 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3i5k h GLU 210 CO 0.04 0.00 0.37 0.15 0.07 0.00 0.00 179.01 179.64 3i5k s LYS 211 N -3.21 4.53 0.17 1.06 -0.14 -1.16 -4.96 119.74 116.02 3i5k s LYS 211 Ca 0.08 1.42 -0.12 0.00 -1.36 0.00 0.00 55.97 55.98 3i5k s LYS 211 Cb 0.08 -2.81 0.06 0.00 -1.68 0.00 0.00 37.83 33.48 3i5k s LYS 211 CO 0.63 0.21 1.71 0.87 -0.76 0.00 0.00 175.35 178.00 3i5k h LYS 212 N 3.16 0.88 -2.11 1.68 1.57 -1.89 -3.39 116.57 116.48 3i5k h LYS 212 Ca -0.47 -0.18 -0.45 0.00 -1.87 0.00 0.00 60.65 57.68 3i5k h LYS 212 Cb 1.20 -0.13 -0.33 0.00 0.08 0.00 0.00 32.23 33.04 3i5k h LYS 212 CO 0.65 0.78 -0.77 0.34 -0.57 0.00 0.00 179.45 179.88 3i5k s ASP 213 N -6.14 1.43 0.30 0.86 2.15 -1.26 -5.09 116.67 108.92 3i5k s ASP 213 Ca -0.13 -2.06 -0.29 0.00 0.43 0.00 0.00 52.55 50.50 3i5k s ASP 213 Cb 0.13 0.23 -0.10 0.00 -0.30 0.00 0.00 42.92 42.88 3i5k s ASP 213 CO 0.80 -0.23 1.13 -2.16 -0.17 0.00 0.00 175.17 174.54 3i5k s PRO 214 N 1.00 4.53 -0.06 4.34 0.04 -1.26 -0.59 135.00 143.00 3i5k s PRO 214 Ca 0.22 1.86 0.02 0.00 0.04 0.00 0.00 61.00 63.13 3i5k s PRO 214 Cb -0.12 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.34 3i5k s PRO 214 CO -0.05 0.09 -0.10 1.41 0.04 0.00 0.00 177.00 178.39 3i5k s MET 215 N -1.62 1.40 0.25 4.56 1.75 -0.42 -4.72 119.30 120.50 3i5k s MET 215 Ca 0.47 -0.32 0.11 0.00 -1.25 0.00 0.00 55.69 54.70 3i5k s MET 215 Cb -0.33 -1.21 -0.05 0.00 2.84 0.00 0.00 34.83 36.09 3i5k s MET 215 CO 0.42 0.00 -0.19 0.20 -0.65 0.00 0.00 175.02 174.81 3i5k s GLY 216 N 0.70 1.74 0.07 2.11 0.00 0.47 -0.59 107.32 111.81 3i5k s GLY 216 Ca -0.13 -1.80 -0.17 0.00 0.00 0.00 0.00 44.72 42.62 3i5k s GLY 216 CO 0.03 -1.88 0.41 -0.11 0.00 0.00 0.00 173.10 171.54 3i5k s PHE 217 N -2.59 -0.24 -0.05 1.90 -0.12 0.18 -0.36 117.98 116.70 3i5k s PHE 217 Ca 0.27 0.09 -0.03 0.00 -0.05 0.00 0.00 56.93 57.22 3i5k s PHE 217 Cb -0.04 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 3i5k s PHE 217 CO 0.12 -0.62 0.10 -1.12 -0.05 0.00 0.00 175.22 173.65 3i5k s SER 218 N -2.30 5.89 -0.21 1.98 0.01 -1.26 -1.02 113.70 116.78 3i5k s SER 218 Ca -0.02 0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.48 3i5k s SER 218 Cb 0.00 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.46 3i5k s SER 218 CO -0.06 0.33 -0.09 -0.47 0.41 0.00 0.00 173.24 173.36 3i5k s TYR 219 N -1.11 2.91 -0.43 2.43 5.04 -0.79 -4.48 117.35 120.92 3i5k s TYR 219 Ca 0.19 -1.20 -0.11 0.00 -2.44 0.00 0.00 57.07 53.51 3i5k s TYR 219 Cb -0.12 -2.04 0.07 0.00 0.35 0.00 0.00 41.96 40.22 3i5k s TYR 219 CO 0.10 -0.64 0.30 0.34 -1.34 0.00 0.00 175.55 174.31 3i5k s ASP 220 N 1.41 5.81 0.14 4.32 2.15 -1.26 -4.07 116.67 125.17 3i5k s ASP 220 Ca 0.05 -1.42 -0.30 0.00 0.43 0.00 0.00 52.55 51.32 3i5k s ASP 220 Cb -0.14 -2.05 -0.07 0.00 -0.30 0.00 0.00 42.92 40.36 3i5k s ASP 220 CO -0.06 -0.56 1.08 -0.89 -0.17 0.00 0.00 175.17 174.57 3i5k s THR 221 N 1.50 4.05 -0.17 1.71 2.01 -1.26 0.11 115.64 123.60 3i5k s THR 221 Ca 0.03 1.69 -0.29 0.00 0.31 0.00 0.00 61.69 63.43 3i5k s THR 221 Cb -0.23 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 3i5k s THR 221 CO 0.04 0.25 1.39 -0.60 -0.69 0.00 0.00 174.62 175.02 3i5k s ARG 222 N -0.02 4.12 -0.96 4.92 3.52 -0.41 -3.96 118.95 126.16 3i5k s ARG 222 Ca 0.50 1.71 -0.12 0.00 -0.13 0.00 0.00 55.73 57.70 3i5k s ARG 222 Cb -0.28 -3.86 0.01 0.00 -1.56 0.00 0.00 34.95 29.26 3i5k s ARG 222 CO 0.33 -0.87 0.67 0.00 -0.81 0.00 0.00 175.30 174.61 3i5k h PHE 224 N -1.01 0.08 -0.94 0.00 3.57 -1.96 -1.49 116.94 115.18 3i5k h PHE 224 Ca -0.58 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.06 3i5k h PHE 224 Cb 1.35 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 40.09 3i5k h PHE 224 CO 0.28 -0.14 0.61 -0.44 -2.23 0.00 0.00 178.31 176.38 3i5k h ASP 225 N 0.17 0.88 0.91 0.41 3.32 -1.91 -1.01 116.42 119.19 3i5k h ASP 225 Ca 0.37 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.35 3i5k h ASP 225 Cb 0.61 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3i5k h ASP 225 CO -0.53 0.51 -0.44 0.28 -1.72 0.00 0.00 179.24 177.34 3i5k h SER 226 N 0.97 0.00 1.26 6.45 0.02 -1.58 -2.40 113.55 118.27 3i5k h SER 226 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3i5k h SER 226 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3i5k h SER 226 CO -0.20 0.44 0.00 0.35 -1.14 0.00 0.00 176.83 176.28 3i5k n THR 227 N -3.51 0.62 -2.28 -2.27 -2.24 -0.41 -4.75 114.28 99.44 3i5k n THR 227 Ca -0.00 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3i5k n THR 227 Cb 0.56 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 3i5k n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i5k s VAL 228 N -3.14 4.02 0.42 2.28 1.01 -1.02 -4.78 120.40 119.18 3i5k s VAL 228 Ca 0.09 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3i5k s VAL 228 Cb 0.12 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3i5k s VAL 228 CO 0.54 -0.10 0.63 0.42 0.00 0.00 0.00 175.10 176.59 3i5k s THR 229 N 3.59 4.39 0.23 3.92 -4.23 -1.26 -3.89 115.64 118.39 3i5k s THR 229 Ca 0.61 -0.47 -0.07 0.00 -1.18 0.00 0.00 61.69 60.59 3i5k s THR 229 Cb -0.26 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.15 3i5k s THR 229 CO 0.20 -0.43 1.72 -0.33 -0.54 0.00 0.00 174.62 175.24 3i5k h GLU 230 N 0.51 0.34 -0.67 3.99 5.08 -1.85 -1.26 114.58 120.73 3i5k h GLU 230 Ca -0.47 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 3i5k h GLU 230 Cb 1.24 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 3i5k h GLU 230 CO 0.59 0.23 0.41 -0.09 -1.00 0.00 0.00 179.01 179.14 3i5k h ARG 231 N 0.35 0.78 -0.64 2.33 2.43 -1.95 -0.60 114.38 117.07 3i5k h ARG 231 Ca 0.36 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.60 3i5k h ARG 231 Cb 0.54 -0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.84 3i5k h ARG 231 CO -0.40 0.51 0.22 -0.44 -1.51 0.00 0.00 179.97 178.35 3i5k h ASP 232 N 0.80 0.18 0.31 -3.80 3.32 -1.70 0.13 116.42 115.66 3i5k h ASP 232 Ca 0.27 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.28 3i5k h ASP 232 Cb 0.04 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3i5k h ASP 232 CO -0.11 0.09 -0.54 0.40 -1.72 0.00 0.00 179.24 177.36 3i5k h ILE 233 N 0.38 1.36 0.01 0.35 2.04 -0.50 -1.29 117.51 119.86 3i5k h ILE 233 Ca 0.33 -1.84 -0.20 0.00 1.00 0.00 0.00 64.86 64.16 3i5k h ILE 233 Cb 0.46 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3i5k h ILE 233 CO -0.35 0.54 -0.91 0.03 0.00 0.00 0.00 178.15 177.46 3i5k h ARG 234 N 0.19 0.15 -0.69 2.37 3.08 -0.66 -2.49 114.38 116.33 3i5k h ARG 234 Ca 0.00 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3i5k h ARG 234 Cb 1.02 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 3i5k h ARG 234 CO 0.08 0.96 0.40 1.15 -1.07 0.00 0.00 179.97 181.49 3i5k h THR 235 N 0.08 1.21 -0.53 2.04 2.02 -0.56 -1.41 112.91 115.75 3i5k h THR 235 Ca -0.04 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.68 3i5k h THR 235 Cb 1.56 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3i5k h THR 235 CO 0.13 0.22 0.30 -0.33 0.37 0.00 0.00 175.52 176.22 3i5k h GLU 236 N 0.95 0.57 -0.73 6.66 5.08 -1.13 -1.63 114.58 124.36 3i5k h GLU 236 Ca 0.25 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 3i5k h GLU 236 Cb 0.00 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.05 3i5k h GLU 236 CO -0.04 0.38 0.38 1.49 -1.00 0.00 0.00 179.01 180.22 3i5k h GLU 237 N 0.59 0.64 0.00 2.33 4.81 -1.12 0.12 114.58 121.95 3i5k h GLU 237 Ca 0.22 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3i5k h GLU 237 Cb 0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3i5k h GLU 237 CO -0.12 0.42 -0.24 0.66 -0.73 0.00 0.00 179.01 179.00 3i5k h SER 238 N 0.66 0.00 -0.08 1.04 4.64 -0.37 0.11 113.55 119.54 3i5k h SER 238 Ca 0.35 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.58 3i5k h SER 238 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3i5k h SER 238 CO -0.25 0.24 -0.33 0.40 -0.87 0.00 0.00 176.83 176.02 3i5k h ILE 239 N 0.00 1.41 -0.88 0.95 2.04 -0.49 -2.28 117.51 118.26 3i5k h ILE 239 Ca -0.00 -1.71 0.09 0.00 1.00 0.00 0.00 64.86 64.24 3i5k h ILE 239 Cb 0.46 2.27 -0.06 0.00 -0.74 0.00 0.00 36.82 38.74 3i5k h ILE 239 CO 0.03 0.49 0.57 1.88 0.00 0.00 0.00 178.15 181.13 3i5k h TYR 240 N -0.10 0.95 0.00 1.37 0.05 -0.48 -2.46 116.97 116.30 3i5k h TYR 240 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3i5k h TYR 240 Cb 0.97 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.40 3i5k h TYR 240 CO 0.12 0.45 -0.04 1.04 -1.05 0.00 0.00 178.16 178.69 3i5k n GLN 241 N -4.52 0.05 0.21 4.88 1.13 0.33 -3.01 117.38 116.46 3i5k n GLN 241 Ca 0.15 0.04 0.10 0.00 -1.94 0.00 0.00 57.00 55.35 3i5k n GLN 241 Cb 0.28 -1.56 0.33 0.00 0.11 0.00 0.00 30.24 29.41 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 2.90 0.93 -2.36 -1.58 0.00 -0.91 -3.45 119.26 114.79 3i5k h ALA 242 Ca 0.00 -0.18 -0.52 0.00 0.00 0.00 0.00 54.91 54.21 3i5k h ALA 242 Cb 0.55 -0.03 0.16 0.00 0.00 0.00 0.00 17.79 18.47 3i5k h ALA 242 CO 0.00 0.25 0.29 0.00 0.00 0.00 0.00 179.25 179.79 3i5k s SER 244 N -2.79 6.89 0.05 0.00 0.01 0.59 -4.99 113.70 113.47 3i5k s SER 244 Ca 0.66 1.05 0.03 0.00 1.31 0.00 0.00 55.95 59.00 3i5k s SER 244 Cb -0.22 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 3i5k s SER 244 CO 0.54 -0.67 -0.09 -0.76 0.41 0.00 0.00 173.24 172.67 3i5k s LEU 245 N 3.17 2.29 0.53 2.44 1.43 -1.26 -1.17 118.68 126.10 3i5k s LEU 245 Ca 0.39 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 3i5k s LEU 245 Cb -0.14 -0.24 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 3i5k s LEU 245 CO 0.10 -0.20 1.26 -2.16 0.23 0.00 0.00 176.35 175.58 3i5k s PRO 246 N -1.83 3.32 0.40 1.29 0.04 -1.26 -4.89 135.00 132.07 3i5k s PRO 246 Ca -0.06 1.98 0.11 0.00 0.04 0.00 0.00 61.00 63.08 3i5k s PRO 246 Cb -0.09 -2.24 0.93 0.00 0.04 0.00 0.00 34.50 33.14 3i5k s PRO 246 CO 0.00 -0.97 1.94 1.49 0.04 0.00 0.00 177.00 179.51 3i5k h GLU 247 N 1.54 0.53 -0.72 4.56 4.57 -2.00 -1.58 114.58 121.48 3i5k h GLU 247 Ca -0.50 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 57.65 3i5k h GLU 247 Cb 1.28 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 3i5k h GLU 247 CO 0.58 0.35 0.47 1.49 -1.18 0.00 0.00 179.01 180.72 3i5k h GLU 248 N 0.54 0.95 -0.55 1.92 4.81 -2.00 -1.64 114.58 118.61 3i5k h GLU 248 Ca 0.33 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 3i5k h GLU 248 Cb 0.56 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3i5k h GLU 248 CO -0.11 0.64 0.25 0.00 -0.73 0.00 0.00 179.01 179.05 3i5k h ALA 249 N 1.26 0.72 -0.51 2.92 0.00 -1.67 -2.14 119.26 119.83 3i5k h ALA 249 Ca 0.26 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3i5k h ALA 249 Cb -0.10 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.39 3i5k h ALA 249 CO -0.06 0.30 0.04 0.00 0.00 0.00 0.00 179.25 179.53 3i5k h ARG 250 N 0.75 0.15 0.17 0.00 3.08 -1.08 0.14 114.38 117.59 3i5k h ARG 250 Ca 0.19 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3i5k h ARG 250 Cb 0.15 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3i5k h ARG 250 CO -0.02 0.10 -0.08 1.15 -1.07 0.00 0.00 179.97 180.05 3i5k h THR 251 N 0.16 0.88 -0.48 2.04 2.02 -1.15 -1.83 112.91 114.55 3i5k h THR 251 Ca 0.26 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3i5k h THR 251 Cb 0.38 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3i5k h THR 251 CO -0.40 0.06 0.32 0.00 0.37 0.00 0.00 175.52 175.87 3i5k h ALA 252 N 0.45 0.61 -0.95 6.16 0.00 -1.09 -1.48 119.26 122.95 3i5k h ALA 252 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i5k h ALA 252 Cb 0.28 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3i5k h ALA 252 CO 0.04 0.05 0.58 0.82 0.00 0.00 0.00 179.25 180.74 3i5k h ILE 253 N 0.64 1.26 -0.37 0.00 2.04 -0.68 0.54 117.51 120.94 3i5k h ILE 253 Ca 0.18 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 3i5k h ILE 253 Cb -0.07 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 35.91 3i5k h ILE 253 CO -0.04 0.27 0.00 -0.74 0.00 0.00 0.00 178.15 177.64 3i5k h HIS 254 N 1.31 0.71 -0.09 1.37 2.76 -0.95 -0.37 115.15 119.88 3i5k h HIS 254 Ca 0.34 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3i5k h HIS 254 Cb -0.07 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.70 3i5k h HIS 254 CO 0.00 0.75 0.05 0.77 -1.30 0.00 0.00 177.93 178.20 3i5k h SER 255 N 0.47 0.12 -0.68 3.26 0.02 -0.98 -0.81 113.55 114.94 3i5k h SER 255 Ca 0.11 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3i5k h SER 255 Cb 0.46 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 3i5k h SER 255 CO 0.02 0.18 0.38 -0.07 -1.14 0.00 0.00 176.83 176.19 3i5k h LEU 256 N 0.05 0.55 0.27 5.07 3.38 -0.86 0.17 115.31 123.95 3i5k h LEU 256 Ca 0.03 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i5k h LEU 256 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3i5k h LEU 256 CO -0.00 0.35 -0.21 0.74 0.09 0.00 0.00 178.44 179.40 3i5k h THR 257 N 0.69 0.54 0.00 0.22 2.02 -0.84 0.82 112.91 116.36 3i5k h THR 257 Ca 0.31 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.40 3i5k h THR 257 Cb 0.21 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3i5k h THR 257 CO -0.19 0.00 -0.44 -0.33 0.37 0.00 0.00 175.52 174.93 3i5k h GLU 258 N -0.49 0.00 0.00 6.66 4.39 -0.81 -1.14 114.58 123.18 3i5k h GLU 258 Ca -0.02 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 3i5k h GLU 258 Cb 0.44 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3i5k h GLU 258 CO -0.01 0.44 -2.12 0.54 -1.16 0.00 0.00 179.01 176.70 3i5k n ARG 259 N -3.53 0.67 0.06 2.33 1.74 0.58 -4.72 116.66 113.79 3i5k n ARG 259 Ca -0.00 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3i5k n ARG 259 Cb 0.56 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.42 0.20 -0.24 0.55 7.94 0.12 -0.80 117.00 122.36 3i5k n LEU 260 Ca -0.13 0.18 -0.05 0.00 -1.11 0.00 0.00 56.01 54.91 3i5k n LEU 260 Cb 0.75 0.05 0.11 0.00 0.53 0.00 0.00 43.42 44.87 3i5k n LEU 260 CO 0.45 -0.54 1.03 1.88 -1.11 0.00 0.00 177.39 179.10 3i5k h TYR 261 N 0.00 1.09 0.00 1.96 0.05 -0.95 -2.93 116.97 116.19 3i5k h TYR 261 Ca 0.00 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 3i5k h TYR 261 Cb 0.21 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 3i5k h TYR 261 CO 0.00 0.84 -0.01 -0.39 -1.05 0.00 0.00 178.16 177.56 3i5k h VAL 262 N 1.04 0.02 0.00 -2.88 -1.51 -1.46 -3.40 116.25 108.05 3i5k h VAL 262 Ca 0.24 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3i5k h VAL 262 Cb 0.23 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3i5k h VAL 262 CO -0.02 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.94 3i5k n GLY 263 N 0.43 0.22 0.00 5.19 0.00 -1.11 -4.00 105.19 105.92 3i5k n GLY 263 Ca 0.02 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.45 2.86 3.77 -0.02 0.00 -0.75 -4.12 105.19 105.48 3i5k n GLY 264 Ca 0.00 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 3.70 -0.09 1.61 0.04 -1.26 -1.27 135.00 135.64 3i5k s PRO 265 Ca 0.00 1.82 0.03 0.00 0.04 0.00 0.00 61.00 62.89 3i5k s PRO 265 Cb 0.00 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 3i5k s PRO 265 CO 0.00 -0.62 -0.18 -1.64 0.04 0.00 0.00 177.00 174.60 3i5k s MET 266 N -2.72 2.92 0.11 4.56 -1.94 0.75 -2.04 119.30 120.95 3i5k s MET 266 Ca 0.64 -0.78 0.09 0.00 -1.71 0.00 0.00 55.69 53.93 3i5k s MET 266 Cb -0.30 -2.40 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 3i5k s MET 266 CO 0.36 0.34 -0.18 -0.06 -0.01 0.00 0.00 175.02 175.47 3i5k s PHE 267 N -0.02 2.53 0.87 -0.03 0.08 -0.18 0.32 117.98 121.56 3i5k s PHE 267 Ca -0.06 -0.26 -0.10 0.00 0.12 0.00 0.00 56.93 56.63 3i5k s PHE 267 Cb -0.15 -1.35 0.17 0.00 -0.57 0.00 0.00 43.02 41.13 3i5k s PHE 267 CO 0.05 0.38 1.20 0.54 -0.10 0.00 0.00 175.22 177.29 3i5k s ASN 268 N -2.11 3.59 0.38 1.36 2.20 -0.29 -1.36 114.94 118.72 3i5k s ASN 268 Ca 0.18 0.05 0.28 0.00 -0.94 0.00 0.00 52.86 52.42 3i5k s ASN 268 Cb -0.11 -0.22 1.28 0.00 -2.00 0.00 0.00 41.25 40.20 3i5k s ASN 268 CO 0.10 -2.40 1.83 0.77 -2.94 0.00 0.00 177.10 174.46 3i5k h SER 269 N -1.22 0.00 0.14 3.54 4.64 -1.79 0.10 113.55 118.95 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 0.39 0.00 -0.25 0.29 -0.87 0.00 0.00 176.83 176.39 3i5k n LYS 270 N -2.51 1.09 -0.68 4.77 5.02 -1.26 -4.95 118.16 119.65 3i5k n LYS 270 Ca 0.00 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 3i5k n LYS 270 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.33 0.65 3.76 0.72 0.00 0.02 -5.06 105.19 106.62 3i5k n GLY 271 Ca 0.13 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.44 4.74 0.08 1.61 -0.21 -1.26 -4.81 119.66 119.38 3i5k s GLN 272 Ca 0.00 1.41 -0.31 0.00 0.02 0.00 0.00 55.36 56.48 3i5k s GLN 272 Cb 0.00 -3.12 -0.09 0.00 1.00 0.00 0.00 33.01 30.80 3i5k s GLN 272 CO 0.00 0.44 1.78 0.99 -2.12 0.00 0.00 175.29 176.38 3i5k s THR 273 N -1.32 2.84 -0.17 -0.19 2.01 -1.26 -1.14 115.64 116.41 3i5k s THR 273 Ca 0.44 0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.72 3i5k s THR 273 Cb -0.23 -3.15 -0.13 0.00 0.01 0.00 0.00 72.50 68.99 3i5k s THR 273 CO 0.29 -0.00 -0.09 0.00 -0.69 0.00 0.00 174.62 174.12 3i5k n GLY 275 N 2.49 -0.84 2.91 0.00 0.00 -1.01 -1.32 105.19 107.42 3i5k n GLY 275 Ca -0.29 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 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 0.34 -0.12 1.61 5.04 -0.13 -0.18 117.35 120.91 3i5k s TYR 276 Ca 0.00 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.53 3i5k s TYR 276 Cb 0.00 -0.26 -0.04 0.00 0.35 0.00 0.00 41.96 42.02 3i5k s TYR 276 CO 0.00 -0.03 0.03 0.50 -1.34 0.00 0.00 175.55 174.71 3i5k s ARG 277 N 0.12 3.36 -0.15 4.97 3.52 -0.39 -1.57 118.95 128.81 3i5k s ARG 277 Ca -0.01 -0.37 0.17 0.00 -0.13 0.00 0.00 55.73 55.39 3i5k s ARG 277 Cb -0.04 -2.96 0.44 0.00 -1.56 0.00 0.00 34.95 30.83 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 2.61 1.31 -2.83 5.12 1.74 0.25 -1.81 116.66 123.05 3i5k n ARG 278 Ca -0.18 -2.99 -0.08 0.00 -0.77 0.00 0.00 57.85 53.83 3i5k n ARG 278 Cb 0.53 -1.15 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.28 2.27 -2.42 0.00 3.00 -0.92 -4.52 116.66 113.80 3i5k n ARG 280 Ca 0.02 0.82 -0.42 0.00 -0.00 0.00 0.00 57.85 58.27 3i5k n ARG 280 Cb 0.28 -2.61 -0.03 0.00 0.00 0.00 0.00 32.46 30.09 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 1.33 3.42 -0.89 5.13 0.00 -1.26 -4.76 121.76 124.73 3i5k s ALA 281 Ca 0.80 0.81 0.24 0.00 0.00 0.00 0.00 51.96 53.81 3i5k s ALA 281 Cb -0.65 -3.46 0.95 0.00 0.00 0.00 0.00 23.12 19.96 3i5k s ALA 281 CO 0.38 -0.51 1.74 -1.13 0.00 0.00 0.00 175.76 176.24 3i5k n SER 282 N 4.21 0.23 -2.41 0.00 3.41 -1.24 -3.97 113.62 113.85 3i5k n SER 282 Ca 0.09 0.54 -0.18 0.00 -0.26 0.00 0.00 58.87 59.06 3i5k n SER 282 Cb 0.46 -0.59 0.02 0.00 -0.26 0.00 0.00 64.21 63.84 3i5k n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i5k n GLY 283 N 0.84 4.65 3.65 5.00 0.00 0.08 -4.79 105.19 114.62 3i5k n GLY 283 Ca 0.05 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.65 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 -4.49 2.51 0.46 1.61 -7.23 -1.25 -4.46 120.40 107.55 3i5k s VAL 284 Ca 0.42 -1.93 0.12 0.00 -1.81 0.00 0.00 61.98 58.78 3i5k s VAL 284 Cb 0.40 -2.85 0.25 0.00 0.56 0.00 0.00 36.38 34.73 3i5k s VAL 284 CO -0.04 -0.15 2.08 0.25 -0.31 0.00 0.00 175.10 176.93 3i5k h LEU 285 N 1.74 0.19 -1.03 1.32 5.85 -1.94 -2.73 115.31 118.72 3i5k h LEU 285 Ca -0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3i5k h LEU 285 Cb 1.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3i5k h LEU 285 CO 0.69 0.18 -0.00 0.35 -0.34 0.00 0.00 178.44 179.31 3i5k n THR 286 N -4.47 0.00 -0.03 1.05 -2.24 -1.26 -4.34 114.28 102.98 3i5k n THR 286 Ca -0.01 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 3i5k n THR 286 Cb 0.11 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 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 2.50 0.56 0.02 4.28 2.02 -1.74 0.52 112.91 121.08 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 0.54 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3i5k h THR 287 CO 0.00 0.00 -0.01 -1.28 0.37 0.00 0.00 175.52 174.60 3i5k h SER 288 N -0.16 -0.03 -0.38 4.18 0.87 -1.81 -1.67 113.55 114.55 3i5k h SER 288 Ca 0.12 -0.62 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 3i5k h SER 288 Cb 0.34 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3i5k h SER 288 CO -0.30 0.63 0.20 -0.03 -0.53 0.00 0.00 176.83 176.80 3i5k h MET 289 N -0.71 0.53 -0.17 2.24 -1.53 -1.76 -0.83 114.93 112.71 3i5k h MET 289 Ca -0.00 -0.07 0.04 0.00 -3.44 0.00 0.00 59.70 56.23 3i5k h MET 289 Cb 0.65 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.56 3i5k h MET 289 CO 0.01 0.45 -0.06 0.78 0.14 0.00 0.00 176.91 178.22 3i5k h GLY 290 N 0.48 0.09 0.85 1.39 0.00 -0.02 -1.39 103.07 104.48 3i5k h GLY 290 Ca 0.13 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.57 3i5k h GLY 290 CO -0.02 -0.08 0.29 3.43 0.00 0.00 0.00 176.54 180.16 3i5k h ASN 291 N -0.03 0.47 -0.30 0.19 2.35 -1.19 -1.03 115.58 116.03 3i5k h ASN 291 Ca 0.09 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3i5k h ASN 291 Cb 0.16 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3i5k h ASN 291 CO -0.19 0.33 0.11 0.74 -1.65 0.00 0.00 177.43 176.77 3i5k h THR 292 N 0.58 0.93 -0.16 2.81 2.02 -0.81 0.75 112.91 119.03 3i5k h THR 292 Ca 0.21 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 3i5k h THR 292 Cb 0.04 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3i5k h THR 292 CO -0.10 0.05 -0.14 0.40 0.37 0.00 0.00 175.52 176.09 3i5k h ILE 293 N 0.25 1.34 -0.50 3.11 2.04 -1.12 -1.61 117.51 121.02 3i5k h ILE 293 Ca 0.13 -1.29 -0.11 0.00 1.00 0.00 0.00 64.86 64.60 3i5k h ILE 293 Cb 0.09 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3i5k h ILE 293 CO -0.13 0.38 -0.12 0.74 0.00 0.00 0.00 178.15 179.02 3i5k h THR 294 N 0.03 1.27 -0.62 -0.27 2.02 -1.11 0.08 112.91 114.31 3i5k h THR 294 Ca 0.03 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 65.91 3i5k h THR 294 Cb 0.67 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 3i5k h THR 294 CO 0.04 0.44 0.20 0.00 0.37 0.00 0.00 175.52 176.57 3i5k h TYR 296 N 0.87 0.12 0.01 0.00 3.20 -0.84 0.84 116.97 121.17 3i5k h TYR 296 Ca 0.20 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3i5k h TYR 296 Cb 0.27 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3i5k h TYR 296 CO 0.02 0.12 -0.06 0.28 -1.64 0.00 0.00 178.16 176.88 3i5k h VAL 297 N 0.08 0.85 -0.36 1.81 2.07 -0.90 0.18 116.25 119.98 3i5k h VAL 297 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 3i5k h VAL 297 Cb 0.04 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3i5k h VAL 297 CO -0.01 0.00 0.09 0.11 0.02 0.00 0.00 177.57 177.78 3i5k h LYS 298 N -0.11 0.58 -0.29 1.57 1.57 -1.26 -2.21 116.57 116.42 3i5k h LYS 298 Ca 0.02 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3i5k h LYS 298 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3i5k h LYS 298 CO -0.05 0.63 0.06 0.00 -0.57 0.00 0.00 179.45 179.51 3i5k h ALA 299 N 0.93 0.39 -0.55 3.86 0.00 -0.61 0.13 119.26 123.40 3i5k h ALA 299 Ca 0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3i5k h ALA 299 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i5k h ALA 299 CO 0.00 0.07 -0.08 1.25 0.00 0.00 0.00 179.25 180.49 3i5k h LEU 300 N 0.31 1.02 -0.69 0.00 5.85 -0.97 -0.01 115.31 120.83 3i5k h LEU 300 Ca 0.09 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3i5k h LEU 300 Cb 0.32 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3i5k h LEU 300 CO 0.00 1.12 0.39 0.00 -0.34 0.00 0.00 178.44 179.61 3i5k h ALA 301 N 0.94 0.88 -0.42 1.25 0.00 -1.21 -2.53 119.26 118.17 3i5k h ALA 301 Ca 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3i5k h ALA 301 Cb 0.65 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3i5k h ALA 301 CO 0.04 0.39 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 3i5k h ALA 302 N 1.19 1.20 -0.61 0.00 0.00 -0.23 -1.07 119.26 119.74 3i5k h ALA 302 Ca 0.24 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3i5k h ALA 302 Cb 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3i5k h ALA 302 CO -0.04 0.52 0.36 0.00 0.00 0.00 0.00 179.25 180.09 3i5k h LYS 304 N 0.70 0.34 -0.84 0.00 1.57 -1.01 -0.18 116.57 117.15 3i5k h LYS 304 Ca 0.25 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 59.03 3i5k h LYS 304 Cb 0.07 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 3i5k h LYS 304 CO -0.13 0.49 0.50 0.00 -0.57 0.00 0.00 179.45 179.74 3i5k h ALA 305 N 0.84 1.19 0.00 3.86 0.00 -1.07 -2.90 119.26 121.18 3i5k h ALA 305 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i5k h ALA 305 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i5k h ALA 305 CO 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 179.25 179.19 3i5k n ALA 306 N -2.36 2.62 -2.63 0.00 0.00 -0.04 -4.95 120.51 113.16 3i5k n ALA 306 Ca 0.13 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3i5k n ALA 306 Cb 0.24 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 1.37 0.19 3.70 0.00 0.00 -0.34 -4.74 105.19 105.37 3i5k n GLY 307 Ca 0.05 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3i5k n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5k s ILE 308 N -2.84 3.75 -0.24 -0.61 -1.09 -0.23 -5.00 121.20 114.94 3i5k s ILE 308 Ca 0.14 1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 59.59 3i5k s ILE 308 Cb -0.06 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 3i5k s ILE 308 CO 0.18 0.02 0.32 -0.69 -1.23 0.00 0.00 174.94 173.54 3i5k s VAL 309 N 2.02 5.23 -1.07 2.92 1.01 -1.26 -4.52 120.40 124.74 3i5k s VAL 309 Ca 0.62 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 3i5k s VAL 309 Cb -0.31 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3i5k s VAL 309 CO 0.27 0.23 0.86 0.00 0.00 0.00 0.00 175.10 176.46 3i5k n ALA 310 N 4.85 -2.52 -2.18 5.51 0.00 -1.26 -0.80 120.51 124.10 3i5k n ALA 310 Ca -0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 3i5k n ALA 310 Cb 0.51 -4.94 -0.03 0.00 0.00 0.00 0.00 19.45 14.99 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 -4.94 4.44 -0.14 0.00 0.04 -1.26 -4.23 135.00 128.91 3i5k s PRO 311 Ca 0.44 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.37 3i5k s PRO 311 Cb -0.10 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.19 3i5k s PRO 311 CO 0.79 -0.20 -0.15 0.99 0.04 0.00 0.00 177.00 178.48 3i5k s THR 312 N 0.46 1.58 0.13 1.26 2.01 0.80 -4.97 115.64 116.91 3i5k s THR 312 Ca 0.56 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 62.00 3i5k s THR 312 Cb -0.32 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 3i5k s THR 312 CO 0.33 0.46 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.55 3i5k s MET 313 N 1.38 1.93 -0.19 4.92 -1.94 -1.26 -0.72 119.30 123.42 3i5k s MET 313 Ca 0.03 -1.18 0.01 0.00 -1.71 0.00 0.00 55.69 52.83 3i5k s MET 313 Cb -0.13 -2.16 0.04 0.00 2.01 0.00 0.00 34.83 34.59 3i5k s MET 313 CO -0.09 0.47 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.13 3i5k s LEU 314 N -2.37 2.13 -0.19 -0.03 2.96 -0.48 -4.21 118.68 116.49 3i5k s LEU 314 Ca 0.21 -0.84 0.00 0.00 -0.22 0.00 0.00 54.13 53.28 3i5k s LEU 314 Cb -0.10 -1.16 0.02 0.00 0.50 0.00 0.00 46.19 45.45 3i5k s LEU 314 CO 0.12 -0.16 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.14 3i5k s VAL 315 N 1.45 2.30 -0.37 1.68 1.01 0.75 -1.78 120.40 125.44 3i5k s VAL 315 Ca -0.01 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3i5k s VAL 315 Cb -0.16 -1.99 0.11 0.00 0.00 0.00 0.00 36.38 34.35 3i5k s VAL 315 CO -0.08 0.51 0.14 0.00 0.00 0.00 0.00 175.10 175.67 3i5k n GLY 317 N 4.23 3.74 0.02 0.00 0.00 -1.26 -1.33 105.19 110.59 3i5k n GLY 317 Ca 0.03 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 5.73 0.06 -4.60 1.61 5.75 -1.26 -3.61 116.55 120.24 3i5k n ASP 318 Ca 0.00 -0.96 -0.40 0.00 -0.01 0.00 0.00 54.79 53.41 3i5k n ASP 318 Cb 0.00 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.00 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 -2.04 6.41 -0.09 -1.12 2.15 -0.44 -4.69 116.67 116.85 3i5k s ASP 319 Ca 0.46 0.35 0.02 0.00 0.43 0.00 0.00 52.55 53.81 3i5k s ASP 319 Cb 0.22 -2.29 0.02 0.00 -0.30 0.00 0.00 42.92 40.57 3i5k s ASP 319 CO 0.38 -0.38 -0.13 -0.22 -0.17 0.00 0.00 175.17 174.65 3i5k s LEU 320 N 2.39 1.63 -0.07 -1.34 2.96 -1.26 -1.18 118.68 121.81 3i5k s LEU 320 Ca 0.21 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3i5k s LEU 320 Cb -0.15 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 3i5k s LEU 320 CO 0.11 0.01 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.23 3i5k s VAL 321 N 0.95 2.28 -0.12 1.68 1.01 -0.73 -1.88 120.40 123.59 3i5k s VAL 321 Ca -0.08 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 3i5k s VAL 321 Cb -0.15 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.40 3i5k s VAL 321 CO -0.00 0.57 -0.09 -0.69 0.00 0.00 0.00 175.10 174.88 3i5k s VAL 322 N -0.12 1.17 -0.16 2.92 1.01 -0.19 -1.38 120.40 123.65 3i5k s VAL 322 Ca -0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3i5k s VAL 322 Cb -0.14 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3i5k s VAL 322 CO 0.04 0.39 -0.11 -0.63 0.00 0.00 0.00 175.10 174.79 3i5k s ILE 323 N 1.62 3.10 0.25 2.22 1.01 0.10 -0.65 121.20 128.85 3i5k s ILE 323 Ca 0.04 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3i5k s ILE 323 Cb -0.13 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 3i5k s ILE 323 CO -0.08 0.50 0.31 -1.54 0.00 0.00 0.00 174.94 174.12 3i5k n SER 324 N 3.98 -0.84 -4.67 3.58 3.41 0.24 -0.14 113.62 119.17 3i5k n SER 324 Ca -0.18 -2.47 -0.43 0.00 -0.26 0.00 0.00 58.87 55.53 3i5k n SER 324 Cb 0.52 1.66 -0.02 0.00 -0.26 0.00 0.00 64.21 66.11 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 -2.72 4.29 0.29 4.33 0.41 0.02 -1.30 118.70 124.01 3i5k s GLU 325 Ca 0.24 1.45 -0.30 0.00 -0.41 0.00 0.00 54.97 55.95 3i5k s GLU 325 Cb -0.00 -3.65 -0.11 0.00 -1.78 0.00 0.00 34.13 28.59 3i5k s GLU 325 CO 0.17 -0.59 1.56 0.45 -0.49 0.00 0.00 175.26 176.36 3i5k s SER 326 N 1.37 6.42 -0.05 -0.19 0.15 0.25 -4.45 113.70 117.19 3i5k s SER 326 Ca 0.48 2.91 0.18 0.00 0.70 0.00 0.00 55.95 60.22 3i5k s SER 326 Cb -0.18 -2.64 0.58 0.00 -1.71 0.00 0.00 66.02 62.08 3i5k s SER 326 CO 0.11 -0.87 1.49 0.00 1.20 0.00 0.00 173.24 175.17 3i5k n GLN 327 N 2.01 3.12 0.00 5.44 1.13 -1.26 -4.93 117.38 122.90 3i5k n GLN 327 Ca 0.07 -2.61 0.00 0.00 -1.94 0.00 0.00 57.00 52.53 3i5k n GLN 327 Cb 0.38 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.11 3i5k n GLN 327 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5k n GLY 328 N 1.04 2.22 0.11 1.08 0.00 -1.26 -4.60 105.19 103.79 3i5k n GLY 328 Ca 0.22 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.96 -0.16 2.61 2.02 -1.99 0.23 112.91 116.58 3i5k h THR 329 Ca 0.00 -0.42 -0.19 0.00 0.77 0.00 0.00 66.41 66.57 3i5k h THR 329 Cb 0.00 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3i5k h THR 329 CO 0.00 0.10 -0.68 -0.33 0.37 0.00 0.00 175.52 174.98 3i5k h GLU 330 N -0.39 0.65 -0.78 6.66 5.08 -2.00 -2.81 114.58 120.99 3i5k h GLU 330 Ca -0.02 -0.48 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 3i5k h GLU 330 Cb 0.31 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 3i5k h GLU 330 CO 0.03 1.10 0.39 0.93 -1.00 0.00 0.00 179.01 180.46 3i5k h GLU 331 N 0.47 1.12 -0.56 2.33 3.07 -1.79 -1.78 114.58 117.43 3i5k h GLU 331 Ca -0.02 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.65 3i5k h GLU 331 Cb 1.27 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.95 3i5k h GLU 331 CO 0.13 0.87 0.25 -0.44 -1.40 0.00 0.00 179.01 178.42 3i5k h ASP 332 N 1.10 0.76 -0.25 1.42 3.32 -0.91 0.16 116.42 122.03 3i5k h ASP 332 Ca 0.27 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.21 3i5k h ASP 332 Cb 0.11 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3i5k h ASP 332 CO -0.04 0.70 0.02 -0.33 -1.72 0.00 0.00 179.24 177.87 3i5k h GLU 333 N 0.77 0.10 -0.45 3.56 4.39 -1.24 -1.17 114.58 120.54 3i5k h GLU 333 Ca 0.19 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 3i5k h GLU 333 Cb 0.16 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3i5k h GLU 333 CO -0.02 0.07 0.21 -0.09 -1.16 0.00 0.00 179.01 178.02 3i5k h ARG 334 N 0.11 0.66 -0.34 2.33 1.12 -1.09 -2.25 114.38 114.91 3i5k h ARG 334 Ca 0.12 -0.10 -0.05 0.00 -1.11 0.00 0.00 59.98 58.84 3i5k h ARG 334 Cb 0.14 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 3i5k h ARG 334 CO -0.18 0.57 -0.00 -0.91 -3.11 0.00 0.00 179.97 176.34 3i5k h ASN 335 N 0.59 0.49 0.04 -3.80 2.35 -0.42 -1.07 115.58 113.76 3i5k h ASN 335 Ca 0.15 -0.09 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 3i5k h ASN 335 Cb 0.13 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3i5k h ASN 335 CO -0.02 0.56 -0.50 -0.07 -1.65 0.00 0.00 177.43 175.75 3i5k h LEU 336 N 0.50 0.57 -0.32 1.61 4.07 -1.04 0.17 115.31 120.87 3i5k h LEU 336 Ca 0.11 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 3i5k h LEU 336 Cb 0.33 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3i5k h LEU 336 CO 0.01 0.97 0.09 0.03 -1.08 0.00 0.00 178.44 178.46 3i5k h ARG 337 N 0.41 0.50 -0.61 1.13 3.08 -1.04 -0.13 114.38 117.71 3i5k h ARG 337 Ca 0.02 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 59.98 3i5k h ARG 337 Cb 1.02 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 3i5k h ARG 337 CO 0.09 0.55 0.37 0.00 -1.07 0.00 0.00 179.97 179.91 3i5k h ALA 338 N 0.93 0.79 -0.19 0.04 0.00 -1.00 -0.04 119.26 119.79 3i5k h ALA 338 Ca 0.10 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i5k h ALA 338 Cb 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3i5k h ALA 338 CO -0.00 0.11 -0.04 0.35 0.00 0.00 0.00 179.25 179.67 3i5k h PHE 339 N 0.73 -0.08 -0.57 0.00 3.57 -0.50 -1.24 116.94 118.85 3i5k h PHE 339 Ca 0.25 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.82 3i5k h PHE 339 Cb 0.03 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 3i5k h PHE 339 CO -0.05 -0.07 0.28 1.15 -2.23 0.00 0.00 178.31 177.38 3i5k h THR 340 N 0.01 0.91 -0.76 4.41 2.02 -0.65 -0.86 112.91 118.01 3i5k h THR 340 Ca 0.09 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 3i5k h THR 340 Cb 0.14 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 3i5k h THR 340 CO -0.19 0.10 0.27 -0.33 0.37 0.00 0.00 175.52 175.73 3i5k h GLU 341 N 0.52 1.15 -0.10 6.66 5.08 -0.59 0.27 114.58 127.57 3i5k h GLU 341 Ca 0.26 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3i5k h GLU 341 Cb 0.20 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3i5k h GLU 341 CO -0.20 0.96 0.02 0.00 -1.00 0.00 0.00 179.01 178.79 3i5k h ALA 342 N 1.17 0.13 -0.45 3.43 0.00 -0.89 -1.33 119.26 121.32 3i5k h ALA 342 Ca 0.25 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3i5k h ALA 342 Cb 0.26 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3i5k h ALA 342 CO -0.01 -0.24 0.13 0.52 0.00 0.00 0.00 179.25 179.66 3i5k h MET 343 N -0.05 0.28 -0.08 0.00 2.86 -0.93 -0.94 114.93 116.06 3i5k h MET 343 Ca 0.03 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3i5k h MET 343 Cb 0.25 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 3i5k h MET 343 CO 0.00 0.19 -0.29 1.15 1.06 0.00 0.00 176.91 179.02 3i5k h THR 344 N 0.29 0.35 -0.75 2.22 2.02 -0.86 0.16 112.91 116.33 3i5k h THR 344 Ca 0.22 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.57 3i5k h THR 344 Cb 0.24 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 66.88 3i5k h THR 344 CO -0.24 0.00 0.14 0.03 0.37 0.00 0.00 175.52 175.81 3i5k h ARG 345 N -0.39 0.21 0.00 6.66 3.08 -0.65 0.26 114.38 123.55 3i5k h ARG 345 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3i5k h ARG 345 Cb 0.51 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3i5k h ARG 345 CO -0.30 0.14 0.00 0.66 -1.07 0.00 0.00 179.97 179.40 3i5k n TYR 346 N -5.22 0.00 -2.49 3.04 4.01 -0.41 -1.27 117.16 114.82 3i5k n TYR 346 Ca 0.15 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.81 3i5k n TYR 346 Cb 0.49 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.55 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 -0.70 -2.90 -3.01 7.72 2.88 0.90 -4.89 113.62 113.62 3i5k n SER 347 Ca 0.07 -0.30 -0.17 0.00 -1.33 0.00 0.00 58.87 57.15 3i5k n SER 347 Cb 0.03 -2.60 -0.01 0.00 -0.75 0.00 0.00 64.21 60.88 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 -2.35 0.84 -1.42 -1.46 0.00 0.45 -4.57 120.51 112.00 3i5k n ALA 348 Ca -0.09 -2.58 -0.31 0.00 0.00 0.00 0.00 53.44 50.46 3i5k n ALA 348 Cb 0.57 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.58 2.61 0.36 0.00 0.04 -1.26 -3.67 135.00 132.50 3i5k s PRO 349 Ca 0.34 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 3i5k s PRO 349 Cb 0.22 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.72 3i5k s PRO 349 CO -0.15 -1.36 0.80 -1.25 0.04 0.00 0.00 177.00 175.08 3i5k s PRO 350 N -4.89 4.07 0.00 0.56 0.04 -1.26 -1.29 135.00 132.23 3i5k s PRO 350 Ca 0.60 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.45 3i5k s PRO 350 Cb -0.16 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3i5k s PRO 350 CO 0.54 0.09 0.00 0.41 0.04 0.00 0.00 177.00 178.08 3i5k n GLY 351 N -0.48 0.67 3.76 0.56 0.00 0.30 -4.32 105.19 105.68 3i5k n GLY 351 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3i5k n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i5k s ASP 352 N -1.89 6.67 0.35 1.61 1.01 -1.26 -4.96 116.67 118.21 3i5k s ASP 352 Ca 0.00 0.80 -0.26 0.00 0.71 0.00 0.00 52.55 53.80 3i5k s ASP 352 Cb 0.00 -2.25 -0.12 0.00 1.01 0.00 0.00 42.92 41.55 3i5k s ASP 352 CO 0.00 0.12 1.03 -0.81 0.21 0.00 0.00 175.17 175.72 3i5k n PRO 353 N 3.08 1.42 -2.16 8.23 -0.04 -1.26 -4.38 135.00 139.89 3i5k n PRO 353 Ca -0.10 0.50 -0.35 0.00 -0.04 0.00 0.00 63.50 63.51 3i5k n PRO 353 Cb 0.52 -1.97 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 3i5k n PRO 353 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3i5k s PRO 354 N -1.78 3.22 -0.07 0.54 0.04 -1.26 -5.00 135.00 130.68 3i5k s PRO 354 Ca 0.60 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.32 3i5k s PRO 354 Cb -0.62 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 31.94 3i5k s PRO 354 CO 0.59 -0.97 -0.17 0.50 0.04 0.00 0.00 177.00 177.00 3i5k s ARG 355 N -3.35 2.10 0.15 4.56 3.52 -1.26 -4.97 118.95 119.70 3i5k s ARG 355 Ca 0.74 -0.58 -0.31 0.00 -0.13 0.00 0.00 55.73 55.44 3i5k s ARG 355 Cb -0.25 -1.69 -0.10 0.00 -1.56 0.00 0.00 34.95 31.35 3i5k s ARG 355 CO 0.29 0.11 1.54 -2.14 -0.81 0.00 0.00 175.30 174.29 3i5k s PRO 356 N 0.46 4.23 -0.02 5.12 0.02 -1.26 -4.54 135.00 139.00 3i5k s PRO 356 Ca -0.14 2.30 0.07 0.00 0.02 0.00 0.00 61.00 63.25 3i5k s PRO 356 Cb -0.16 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.15 3i5k s PRO 356 CO 0.05 -0.58 -0.23 -1.21 -0.33 0.00 0.00 177.00 174.70 3i5k s GLU 357 N 1.22 1.92 -0.06 5.54 2.02 0.51 -4.97 118.70 124.88 3i5k s GLU 357 Ca 0.69 -0.82 0.08 0.00 0.02 0.00 0.00 54.97 54.95 3i5k s GLU 357 Cb -0.42 -1.82 0.13 0.00 0.10 0.00 0.00 34.13 32.12 3i5k s GLU 357 CO 0.31 0.47 1.05 0.66 0.02 0.00 0.00 175.26 177.77 3i5k n TYR 358 N 2.60 0.00 -4.25 1.61 4.01 -1.26 -0.39 117.16 119.47 3i5k n TYR 358 Ca -0.16 -0.69 -0.24 0.00 -0.16 0.00 0.00 57.90 56.64 3i5k n TYR 358 Cb 0.52 -0.09 -0.17 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.80 1.74 0.29 7.72 1.01 -1.26 -5.01 116.67 119.36 3i5k s ASP 359 Ca 0.14 -0.26 -0.00 0.00 0.71 0.00 0.00 52.55 53.14 3i5k s ASP 359 Cb 0.12 -0.74 0.48 0.00 1.01 0.00 0.00 42.92 43.79 3i5k s ASP 359 CO 0.01 -0.04 1.90 0.25 0.21 0.00 0.00 175.17 177.50 3i5k h LEU 360 N 7.46 0.96 -0.95 1.23 5.85 -1.97 -2.18 115.31 125.71 3i5k h LEU 360 Ca -0.31 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3i5k h LEU 360 Cb 1.16 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3i5k h LEU 360 CO 0.44 0.61 0.00 1.05 -0.34 0.00 0.00 178.44 180.20 3i5k h GLU 361 N 1.09 0.00 0.00 1.25 4.11 -1.96 -0.60 114.58 118.46 3i5k h GLU 361 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 3i5k h GLU 361 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3i5k h GLU 361 CO -0.16 0.00 -0.48 1.28 0.07 0.00 0.00 179.01 179.72 3i5k n LEU 362 N -2.33 0.60 -4.68 3.06 4.77 -0.82 -4.60 117.00 113.00 3i5k n LEU 362 Ca 0.01 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.80 3i5k n LEU 362 Cb 0.19 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3i5k n LEU 362 CO 0.18 -0.02 1.05 -0.63 -1.33 0.00 0.00 177.39 176.64 3i5k s ILE 363 N -3.10 4.01 -0.15 -0.08 -1.09 -0.23 -5.01 121.20 115.54 3i5k s ILE 363 Ca 0.09 1.34 0.02 0.00 -2.23 0.00 0.00 60.65 59.87 3i5k s ILE 363 Cb 0.15 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 3i5k s ILE 363 CO 0.69 -0.02 -0.20 0.42 -1.23 0.00 0.00 174.94 174.60 3i5k s THR 364 N 2.48 2.19 -0.26 2.92 -4.23 -1.26 -4.37 115.64 113.11 3i5k s THR 364 Ca 0.60 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 3i5k s THR 364 Cb -0.27 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.69 3i5k s THR 364 CO 0.23 0.54 0.00 -0.55 -0.54 0.00 0.00 174.62 174.31 3i5k s SER 365 N 0.88 4.66 -1.47 3.99 0.15 0.10 -4.60 113.70 117.41 3i5k s SER 365 Ca -0.05 -0.68 -0.07 0.00 0.70 0.00 0.00 55.95 55.85 3i5k s SER 365 Cb -0.15 -1.77 0.05 0.00 -1.71 0.00 0.00 66.02 62.43 3i5k s SER 365 CO -0.03 -0.13 0.67 0.00 1.20 0.00 0.00 173.24 174.95 3i5k n SER 367 N -2.90 -0.05 -4.87 0.00 7.64 -1.26 -5.00 113.62 107.18 3i5k n SER 367 Ca -0.16 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.40 3i5k n SER 367 Cb 0.61 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.69 6.14 0.14 6.43 0.01 -0.37 -4.42 113.70 118.93 3i5k s SER 368 Ca 0.00 0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.55 3i5k s SER 368 Cb 0.00 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 3i5k s SER 368 CO 0.00 0.25 -0.06 0.54 0.41 0.00 0.00 173.24 174.38 3i5k s ASN 369 N -2.00 1.42 0.01 2.44 4.22 -0.41 -0.72 114.94 119.91 3i5k s ASN 369 Ca 0.27 -1.06 -0.26 0.00 -2.14 0.00 0.00 52.86 49.68 3i5k s ASN 369 Cb -0.12 0.06 -0.04 0.00 1.28 0.00 0.00 41.25 42.42 3i5k s ASN 369 CO 0.19 -0.44 0.81 -0.69 -2.04 0.00 0.00 177.10 174.93 3i5k s VAL 370 N -3.52 4.84 0.36 3.54 1.01 -1.26 -1.45 120.40 123.92 3i5k s VAL 370 Ca 0.17 1.71 0.04 0.00 0.00 0.00 0.00 61.98 63.89 3i5k s VAL 370 Cb 0.05 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3i5k s VAL 370 CO -0.00 0.28 0.08 -0.55 0.00 0.00 0.00 175.10 174.90 3i5k s SER 371 N 0.45 2.55 0.04 3.32 0.15 -0.53 -4.45 113.70 115.23 3i5k s SER 371 Ca 0.42 -1.48 0.05 0.00 0.70 0.00 0.00 55.95 55.64 3i5k s SER 371 Cb -0.20 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.21 3i5k s SER 371 CO 0.23 -0.72 -0.15 0.54 1.20 0.00 0.00 173.24 174.35 3i5k s VAL 372 N -3.26 1.18 0.29 4.45 0.11 -1.26 -1.54 120.40 120.37 3i5k s VAL 372 Ca 0.31 -1.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 3i5k s VAL 372 Cb 0.07 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3i5k s VAL 372 CO 0.15 0.03 0.39 0.00 -3.33 0.00 0.00 175.10 172.34 3i5k n ALA 373 N 1.89 -0.19 -2.76 1.54 0.00 -0.52 -3.34 120.51 117.13 3i5k n ALA 373 Ca -0.18 -1.39 -0.35 0.00 0.00 0.00 0.00 53.44 51.52 3i5k n ALA 373 Cb 0.54 1.12 -0.09 0.00 0.00 0.00 0.00 19.45 21.02 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 3.73 0.00 0.00 1.43 -0.34 -0.27 118.68 123.24 3i5k s LEU 374 Ca 0.25 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3i5k s LEU 374 Cb -0.01 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3i5k s LEU 374 CO 0.18 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.70 3i5k n GLY 375 N 2.50 1.56 3.75 -3.19 0.00 0.16 -0.55 105.19 109.42 3i5k n GLY 375 Ca -0.18 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 3i5k n GLY 375 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i5k s PRO 376 N 1.18 2.48 0.00 1.61 0.02 -1.26 -2.58 135.00 136.44 3i5k s PRO 376 Ca 0.00 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.48 3i5k s PRO 376 Cb 0.00 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3i5k s PRO 376 CO 0.00 -1.51 0.00 0.54 -0.33 0.00 0.00 177.00 175.70 3i5k n ARG 377 N -2.72 -0.16 -1.00 5.54 5.12 -1.26 -3.47 116.66 118.71 3i5k n ARG 377 Ca 0.11 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 3i5k n ARG 377 Cb 0.52 -3.45 0.00 0.00 -1.16 0.00 0.00 32.46 28.37 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 -1.87 0.39 3.76 -0.13 0.00 -1.07 -5.03 105.19 101.24 3i5k n GLY 378 Ca 0.00 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.99 4.79 0.17 1.61 0.52 -1.23 -4.79 118.95 118.04 3i5k s ARG 379 Ca 0.00 1.50 -0.32 0.00 -0.52 0.00 0.00 55.73 56.39 3i5k s ARG 379 Cb 0.00 -3.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.17 3i5k s ARG 379 CO 0.00 0.45 1.60 1.03 0.02 0.00 0.00 175.30 178.40 3i5k s ARG 380 N -1.34 4.20 -0.08 3.54 0.52 -1.26 -0.67 118.95 123.85 3i5k s ARG 380 Ca 0.43 2.42 0.01 0.00 -0.52 0.00 0.00 55.73 58.07 3i5k s ARG 380 Cb -0.26 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.10 3i5k s ARG 380 CO 0.32 -0.64 -0.10 1.03 0.02 0.00 0.00 175.30 175.93 3i5k s ARG 381 N 1.14 1.60 0.11 3.54 1.81 0.63 -4.86 118.95 122.91 3i5k s ARG 381 Ca 0.71 -0.35 -0.07 0.00 -1.72 0.00 0.00 55.73 54.31 3i5k s ARG 381 Cb -0.45 -1.44 -0.06 0.00 -0.45 0.00 0.00 34.95 32.56 3i5k s ARG 381 CO 0.31 -0.08 0.37 0.71 -0.68 0.00 0.00 175.30 175.94 3i5k s TYR 382 N 1.02 3.52 0.15 -0.53 2.02 -1.26 -1.44 117.35 120.83 3i5k s TYR 382 Ca -0.08 0.63 -0.19 0.00 -0.37 0.00 0.00 57.07 57.06 3i5k s TYR 382 Cb -0.15 -2.05 0.04 0.00 -0.40 0.00 0.00 41.96 39.41 3i5k s TYR 382 CO -0.00 0.48 0.49 1.52 -1.57 0.00 0.00 175.55 176.47 3i5k s TYR 383 N -1.53 -0.29 -0.01 2.71 -0.85 -0.59 -5.00 117.35 111.78 3i5k s TYR 383 Ca 0.37 0.01 -0.17 0.00 -0.52 0.00 0.00 57.07 56.75 3i5k s TYR 383 Cb -0.13 0.38 -0.06 0.00 0.38 0.00 0.00 41.96 42.54 3i5k s TYR 383 CO 0.21 -0.79 0.48 -1.17 -1.52 0.00 0.00 175.55 172.76 3i5k s LEU 384 N -2.80 4.44 0.35 -3.49 2.96 -1.26 -1.45 118.68 117.42 3i5k s LEU 384 Ca 0.04 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.97 3i5k s LEU 384 Cb 0.00 -2.71 -0.00 0.00 0.50 0.00 0.00 46.19 43.97 3i5k s LEU 384 CO -0.10 0.22 0.43 0.28 -1.32 0.00 0.00 176.35 175.85 3i5k s THR 385 N -0.60 0.00 0.26 3.68 -1.32 -0.53 -4.75 115.64 112.38 3i5k s THR 385 Ca 0.26 -1.70 -0.22 0.00 -1.21 0.00 0.00 61.69 58.83 3i5k s THR 385 Cb -0.17 -2.63 0.03 0.00 -1.51 0.00 0.00 72.50 68.22 3i5k s THR 385 CO 0.14 0.00 0.73 0.00 -2.21 0.00 0.00 174.62 173.29 3i5k s ARG 386 N -3.09 1.69 0.23 7.08 1.70 -1.26 -1.29 118.95 124.01 3i5k s ARG 386 Ca 0.33 -0.91 -0.32 0.00 -0.47 0.00 0.00 55.73 54.36 3i5k s ARG 386 Cb 0.00 0.59 -0.12 0.00 -0.57 0.00 0.00 34.95 34.85 3i5k s ARG 386 CO 0.23 -0.77 1.70 0.34 -1.08 0.00 0.00 175.30 175.71 3i5k s ASP 387 N -2.91 6.37 0.00 -2.89 2.15 -1.26 -4.89 116.67 113.24 3i5k s ASP 387 Ca 0.10 2.89 0.27 0.00 0.43 0.00 0.00 52.55 56.24 3i5k s ASP 387 Cb -0.05 -2.61 1.35 0.00 -0.30 0.00 0.00 42.92 41.31 3i5k s ASP 387 CO 0.05 -0.96 1.90 -0.81 -0.17 0.00 0.00 175.17 175.17 3i5k n PRO 388 N 3.60 1.31 0.13 4.34 -0.04 -1.26 -4.42 135.00 138.66 3i5k n PRO 388 Ca 0.14 -0.46 -0.13 0.00 -0.04 0.00 0.00 63.50 63.02 3i5k n PRO 388 Cb 0.36 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.05 0.39 -0.02 0.52 2.02 -1.93 -0.14 112.91 114.80 3i5k h THR 389 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3i5k h THR 389 Cb 0.22 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3i5k h THR 389 CO 0.00 0.00 -0.00 0.74 0.37 0.00 0.00 175.52 176.63 3i5k h THR 390 N -0.52 1.26 -0.99 3.16 2.02 -1.96 -1.33 112.91 114.55 3i5k h THR 390 Ca 0.02 -0.78 0.26 0.00 0.77 0.00 0.00 66.41 66.68 3i5k h THR 390 Cb 0.53 1.75 -0.13 0.00 -1.74 0.00 0.00 68.15 68.56 3i5k h THR 390 CO -0.14 0.21 0.56 -0.65 0.37 0.00 0.00 175.52 175.87 3i5k h PRO 391 N -0.28 0.49 -0.12 6.66 0.11 -1.80 -1.78 132.00 135.29 3i5k h PRO 391 Ca 0.01 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 3i5k h PRO 391 Cb 0.34 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.34 3i5k h PRO 391 CO 0.00 0.33 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.81 3i5k h LEU 392 N 0.51 0.42 -0.69 2.35 3.38 -0.69 -0.61 115.31 119.98 3i5k h LEU 392 Ca 0.65 -0.56 0.11 0.00 0.09 0.00 0.00 57.88 58.18 3i5k h LEU 392 Cb 1.29 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 3i5k h LEU 392 CO -0.51 0.90 0.27 0.00 0.09 0.00 0.00 178.44 179.19 3i5k h ALA 393 N 0.53 0.92 -0.21 1.53 0.00 -0.97 -0.65 119.26 120.42 3i5k h ALA 393 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 3i5k h ALA 393 Cb 0.83 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.68 3i5k h ALA 393 CO 0.05 -0.18 -0.67 0.00 0.00 0.00 0.00 179.25 178.45 3i5k h ARG 394 N 0.45 0.83 -0.82 0.00 3.08 -1.31 -2.28 114.38 114.33 3i5k h ARG 394 Ca 0.36 -0.61 0.09 0.00 0.07 0.00 0.00 59.98 59.89 3i5k h ARG 394 Cb 0.48 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 3i5k h ARG 394 CO -0.35 1.23 0.47 0.00 -1.07 0.00 0.00 179.97 180.25 3i5k h ALA 395 N 0.60 1.16 -0.54 0.04 0.00 -0.69 0.19 119.26 120.01 3i5k h ALA 395 Ca -0.02 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3i5k h ALA 395 Cb 1.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3i5k h ALA 395 CO 0.14 0.11 -0.11 0.00 0.00 0.00 0.00 179.25 179.39 3i5k h ALA 396 N 1.44 0.75 -0.07 0.00 0.00 -1.04 -1.54 119.26 118.80 3i5k h ALA 396 Ca 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i5k h ALA 396 Cb 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3i5k h ALA 396 CO -0.24 0.67 0.02 2.35 0.00 0.00 0.00 179.25 182.05 3i5k h TRP 397 N 0.91 0.12 0.00 0.00 2.91 -0.92 -2.94 115.95 116.03 3i5k h TRP 397 Ca 0.14 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3i5k h TRP 397 Cb 0.69 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 3i5k h TRP 397 CO 0.05 0.28 0.00 0.39 -1.03 0.00 0.00 178.44 178.12 3i5k n GLU 398 N -4.92 0.17 -0.01 2.65 1.02 0.64 -0.81 120.64 119.37 3i5k n GLU 398 Ca -0.06 0.41 -0.18 0.00 -0.02 0.00 0.00 57.16 57.31 3i5k n GLU 398 Cb 0.13 -1.83 -0.08 0.00 -0.02 0.00 0.00 31.44 29.64 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 1.31 0.00 2.62 2.02 -1.09 -3.38 112.91 114.39 3i5k h THR 399 Ca 0.00 -1.99 -0.29 0.00 0.77 0.00 0.00 66.41 64.90 3i5k h THR 399 Cb 0.34 2.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 3i5k h THR 399 CO 0.00 0.62 -1.95 0.55 0.37 0.00 0.00 175.52 175.11 3i5k n VAL 400 N -4.02 1.41 -4.04 3.16 3.14 -0.98 -4.78 118.33 112.22 3i5k n VAL 400 Ca -0.08 -0.80 -0.33 0.00 -2.96 0.00 0.00 64.34 60.17 3i5k n VAL 400 Cb 0.73 -0.73 -0.15 0.00 -1.06 0.00 0.00 33.84 32.62 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 -2.64 2.54 -0.00 1.45 1.81 0.01 -5.09 118.95 117.03 3i5k s ARG 401 Ca -0.07 -1.15 -0.30 0.00 -1.72 0.00 0.00 55.73 52.49 3i5k s ARG 401 Cb 0.08 -2.86 -0.06 0.00 -0.45 0.00 0.00 34.95 31.65 3i5k s ARG 401 CO 0.83 -0.46 1.48 -1.58 -0.68 0.00 0.00 175.30 174.89 3i5k s HIS 402 N 1.20 2.63 -0.18 -0.53 5.65 -1.26 -4.16 115.29 118.64 3i5k s HIS 402 Ca -0.04 0.63 -0.09 0.00 0.25 0.00 0.00 55.06 55.81 3i5k s HIS 402 Cb -0.18 -3.75 -0.05 0.00 -1.18 0.00 0.00 32.58 27.42 3i5k s HIS 402 CO -0.06 -2.91 0.12 -1.12 -0.65 0.00 0.00 174.74 170.12 3i5k s SER 403 N 2.22 6.18 0.37 9.88 0.01 -1.26 -5.00 113.70 126.10 3i5k s SER 403 Ca 0.67 0.27 0.08 0.00 1.31 0.00 0.00 55.95 58.28 3i5k s SER 403 Cb -0.33 -2.06 0.71 0.00 0.21 0.00 0.00 66.02 64.55 3i5k s SER 403 CO 0.27 0.24 1.89 -0.65 0.41 0.00 0.00 173.24 175.41 3i5k h PRO 404 N 6.25 0.34 -4.67 12.44 0.11 -1.94 -3.34 132.00 141.18 3i5k h PRO 404 Ca -0.44 -0.08 -0.65 0.00 0.11 0.00 0.00 66.00 64.94 3i5k h PRO 404 Cb 1.17 -0.05 -0.38 0.00 0.11 0.00 0.00 31.00 31.85 3i5k h PRO 404 CO 0.71 0.44 -0.78 0.42 -0.21 0.00 0.00 178.00 178.58 3i5k s ILE 405 N -4.79 2.01 0.71 4.15 -1.09 -1.26 -4.25 121.20 116.68 3i5k s ILE 405 Ca -0.06 -1.70 -0.03 0.00 -2.23 0.00 0.00 60.65 56.63 3i5k s ILE 405 Cb 0.15 -2.24 0.11 0.00 -1.58 0.00 0.00 42.46 38.90 3i5k s ILE 405 CO 0.74 -0.20 0.99 0.54 -1.23 0.00 0.00 174.94 175.79 3i5k s ASN 406 N 1.14 4.45 -0.09 3.58 2.20 -0.29 -4.78 114.94 121.16 3i5k s ASN 406 Ca -0.03 -0.11 0.07 0.00 -0.94 0.00 0.00 52.86 51.84 3i5k s ASN 406 Cb -0.19 -0.36 -0.10 0.00 -2.00 0.00 0.00 41.25 38.59 3i5k s ASN 406 CO -0.07 -1.79 0.01 -1.54 -2.94 0.00 0.00 177.10 170.78 3i5k n SER 407 N -2.86 2.92 -0.27 3.54 3.41 -1.26 -1.73 113.62 117.37 3i5k n SER 407 Ca 0.13 -0.01 0.01 0.00 -0.26 0.00 0.00 58.87 58.74 3i5k n SER 407 Cb 0.60 0.58 0.22 0.00 -0.26 0.00 0.00 64.21 65.35 3i5k n SER 407 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3i5k h TRP 408 N 0.00 1.03 -0.32 7.33 5.08 -1.91 -1.48 115.95 125.67 3i5k h TRP 408 Ca -0.24 0.02 -0.13 0.00 1.08 0.00 0.00 58.89 59.63 3i5k h TRP 408 Cb 1.51 -0.35 -0.01 0.00 -3.00 0.00 0.00 29.16 27.31 3i5k h TRP 408 CO 0.00 0.62 -0.33 1.25 -1.28 0.00 0.00 178.44 178.70 3i5k h LEU 409 N 1.09 0.75 -0.52 0.11 5.85 -1.94 -1.35 115.31 119.29 3i5k h LEU 409 Ca 0.32 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3i5k h LEU 409 Cb -0.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3i5k h LEU 409 CO -0.08 1.02 0.34 1.23 -0.34 0.00 0.00 178.44 180.61 3i5k h GLY 410 N 0.97 0.74 1.01 3.75 0.00 -1.58 -2.18 103.07 105.77 3i5k h GLY 410 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3i5k h GLY 410 CO 0.07 0.26 0.31 3.43 0.00 0.00 0.00 176.54 180.61 3i5k h ASN 411 N 0.70 0.91 -0.84 0.19 -0.26 -1.07 0.11 115.58 115.32 3i5k h ASN 411 Ca 0.19 -0.15 0.01 0.00 -0.56 0.00 0.00 56.30 55.79 3i5k h ASN 411 Cb -0.07 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 36.92 3i5k h ASN 411 CO -0.05 0.81 0.54 0.40 -1.06 0.00 0.00 177.43 178.07 3i5k h ILE 412 N 0.96 1.22 -0.02 2.81 2.04 -1.08 0.16 117.51 123.59 3i5k h ILE 412 Ca 0.23 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3i5k h ILE 412 Cb 0.15 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3i5k h ILE 412 CO -0.03 0.22 -0.14 0.40 0.00 0.00 0.00 178.15 178.60 3i5k h ILE 413 N 1.14 1.51 -0.66 -0.67 2.04 -1.18 -0.80 117.51 118.89 3i5k h ILE 413 Ca 0.31 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 3i5k h ILE 413 Cb -0.11 2.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 3i5k h ILE 413 CO -0.06 0.46 0.30 1.56 0.00 0.00 0.00 178.15 180.41 3i5k h GLN 414 N -0.49 0.97 -0.30 2.37 4.20 -0.75 -3.27 115.11 117.84 3i5k h GLN 414 Ca -0.01 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.44 3i5k h GLN 414 Cb 0.83 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.38 3i5k h GLN 414 CO 0.03 0.78 -0.05 0.66 -0.67 0.00 0.00 178.83 179.58 3i5k n TYR 415 N -4.45 0.96 -0.33 2.96 4.01 0.54 -4.81 117.16 116.04 3i5k n TYR 415 Ca 0.05 -1.33 0.15 0.00 -0.16 0.00 0.00 57.90 56.62 3i5k n TYR 415 Cb 0.14 -0.41 0.30 0.00 -0.31 0.00 0.00 39.34 39.06 3i5k n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i5k n ALA 416 N -0.95 0.52 0.79 -0.72 0.00 -0.31 -1.08 120.51 118.77 3i5k n ALA 416 Ca 0.28 1.03 0.11 0.00 0.00 0.00 0.00 53.44 54.86 3i5k n ALA 416 Cb 0.96 -0.77 0.49 0.00 0.00 0.00 0.00 19.45 20.13 3i5k n ALA 416 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i5k n PRO 417 N -5.41 0.00 -2.46 0.00 -0.02 -1.26 -4.46 135.00 121.39 3i5k n PRO 417 Ca 0.24 0.11 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 3i5k n PRO 417 Cb 0.77 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.73 3i5k n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i5k s THR 418 N -3.00 3.60 0.35 3.45 -4.23 -0.24 -4.91 115.64 110.66 3i5k s THR 418 Ca 0.11 1.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.68 3i5k s THR 418 Cb 0.15 -3.41 0.16 0.00 1.34 0.00 0.00 72.50 70.75 3i5k s THR 418 CO 0.41 -0.21 1.89 -0.29 -0.54 0.00 0.00 174.62 175.89 3i5k h ILE 419 N 1.47 1.19 -0.05 2.99 2.10 -1.89 -2.45 117.51 120.86 3i5k h ILE 419 Ca -0.50 -0.75 -0.20 0.00 1.08 0.00 0.00 64.86 64.49 3i5k h ILE 419 Cb 1.23 0.97 -0.00 0.00 -1.09 0.00 0.00 36.82 37.93 3i5k h ILE 419 CO 0.58 0.26 -0.81 4.11 -1.08 0.00 0.00 178.15 181.21 3i5k h TRP 420 N 0.46 0.58 -0.03 2.19 5.08 -1.92 -0.22 115.95 122.09 3i5k h TRP 420 Ca 0.10 -0.28 -0.01 0.00 1.08 0.00 0.00 58.89 59.79 3i5k h TRP 420 Cb 0.32 -0.08 -0.00 0.00 -3.00 0.00 0.00 29.16 26.39 3i5k h TRP 420 CO 0.01 1.06 -0.00 0.28 -1.28 0.00 0.00 178.44 178.51 3i5k h VAL 421 N 0.27 1.28 -0.13 0.12 2.07 -1.79 -1.85 116.25 116.22 3i5k h VAL 421 Ca -0.05 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3i5k h VAL 421 Cb 1.41 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3i5k h VAL 421 CO 0.14 0.22 0.05 0.03 0.02 0.00 0.00 177.57 178.03 3i5k h ARG 422 N -0.27 0.19 0.08 1.57 3.08 -1.39 0.29 114.38 117.93 3i5k h ARG 422 Ca 0.01 -0.04 -0.30 0.00 0.07 0.00 0.00 59.98 59.73 3i5k h ARG 422 Cb 0.36 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3i5k h ARG 422 CO 0.00 0.30 -1.54 0.52 -1.07 0.00 0.00 179.97 178.18 3i5k h MET 423 N 0.04 0.17 0.00 0.04 2.86 -1.16 -3.37 114.93 113.51 3i5k h MET 423 Ca 0.04 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3i5k h MET 423 Cb 0.19 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3i5k h MET 423 CO -0.00 0.98 -0.66 0.28 1.06 0.00 0.00 176.91 178.57 3i5k n VAL 424 N -3.36 1.06 -0.07 -2.22 0.31 -0.74 -4.29 118.33 109.02 3i5k n VAL 424 Ca -0.16 0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 64.31 3i5k n VAL 424 Cb 1.03 -2.05 -0.05 0.00 -0.91 0.00 0.00 33.84 31.86 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 -0.66 0.32 -0.42 7.52 4.07 -0.90 -0.56 115.31 124.69 3i5k h LEU 425 Ca 0.00 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.69 3i5k h LEU 425 Cb 0.66 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 3i5k h LEU 425 CO 0.00 0.48 0.16 0.24 -1.08 0.00 0.00 178.44 178.24 3i5k h MET 426 N 0.15 0.63 0.09 1.13 2.86 -0.63 -0.91 114.93 118.26 3i5k h MET 426 Ca 0.06 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3i5k h MET 426 Cb 0.29 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3i5k h MET 426 CO 0.00 0.59 -0.05 1.15 1.06 0.00 0.00 176.91 179.67 3i5k h THR 427 N 0.53 0.90 -0.12 2.22 2.02 -1.69 -1.21 112.91 115.57 3i5k h THR 427 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 3i5k h THR 427 Cb 0.20 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3i5k h THR 427 CO -0.01 0.00 0.05 -0.74 0.37 0.00 0.00 175.52 175.19 3i5k h HIS 428 N -0.13 0.19 -0.19 3.16 6.17 -0.99 -2.22 115.15 121.14 3i5k h HIS 428 Ca -0.01 -0.01 -0.18 0.00 0.71 0.00 0.00 60.37 60.87 3i5k h HIS 428 Cb 0.10 -0.06 -0.00 0.00 2.52 0.00 0.00 27.41 29.97 3i5k h HIS 428 CO -0.07 0.28 -0.63 0.74 0.71 0.00 0.00 177.93 178.96 3i5k h PHE 429 N 0.04 0.84 -0.39 5.26 0.04 -1.12 -1.04 116.94 120.58 3i5k h PHE 429 Ca 0.04 -0.33 -0.07 0.00 2.80 0.00 0.00 57.97 60.41 3i5k h PHE 429 Cb 0.17 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3i5k h PHE 429 CO -0.02 1.11 -0.07 0.74 -0.60 0.00 0.00 178.31 179.48 3i5k h PHE 430 N 0.48 0.70 0.32 -0.55 -1.00 -1.23 -0.15 116.94 115.51 3i5k h PHE 430 Ca -0.01 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 3i5k h PHE 430 Cb 1.21 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.57 3i5k h PHE 430 CO 0.06 0.70 -0.22 1.03 -1.61 0.00 0.00 178.31 178.27 3i5k h SER 431 N 0.60 -0.56 -0.90 2.17 0.87 -1.24 -2.52 113.55 111.98 3i5k h SER 431 Ca 0.11 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3i5k h SER 431 Cb 0.48 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 3i5k h SER 431 CO 0.03 -0.34 0.59 0.40 -0.53 0.00 0.00 176.83 176.97 3i5k h ILE 432 N -0.53 1.23 -0.28 2.23 1.08 -0.84 -0.80 117.51 119.61 3i5k h ILE 432 Ca -0.03 -0.43 -0.08 0.00 -0.39 0.00 0.00 64.86 63.94 3i5k h ILE 432 Cb 0.45 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 3i5k h ILE 432 CO 0.02 0.22 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.46 3i5k h LEU 433 N 1.22 0.47 -0.40 1.44 3.38 -1.00 -0.85 115.31 119.58 3i5k h LEU 433 Ca 0.33 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 3i5k h LEU 433 Cb -0.13 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3i5k h LEU 433 CO -0.07 0.66 -0.56 0.24 0.09 0.00 0.00 178.44 178.81 3i5k h MET 434 N 0.44 0.73 -0.64 1.13 2.86 -0.95 0.43 114.93 118.93 3i5k h MET 434 Ca 0.08 -0.46 0.02 0.00 -2.06 0.00 0.00 59.70 57.28 3i5k h MET 434 Cb 0.55 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 3i5k h MET 434 CO 0.04 1.09 0.40 0.28 1.06 0.00 0.00 176.91 179.78 3i5k h VAL 435 N 0.56 1.10 -0.01 -2.22 2.07 -0.75 -2.82 116.25 114.18 3i5k h VAL 435 Ca 0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3i5k h VAL 435 Cb 1.14 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3i5k h VAL 435 CO 0.11 0.15 -0.25 0.00 0.02 0.00 0.00 177.57 177.60 3i5k n GLN 436 N -4.69 0.68 -3.77 1.57 6.02 -0.36 -4.95 117.38 111.87 3i5k n GLN 436 Ca 0.06 -0.36 -0.27 0.00 -0.01 0.00 0.00 57.00 56.42 3i5k n GLN 436 Cb 0.07 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 29.89 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 -0.85 -4.82 -0.61 1.08 2.03 -0.02 -4.93 116.55 108.44 3i5k n ASP 437 Ca 0.12 -0.70 0.06 0.00 0.52 0.00 0.00 54.79 54.79 3i5k n ASP 437 Cb 0.33 -4.33 0.17 0.00 -0.72 0.00 0.00 41.12 36.57 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 -4.73 1.84 -0.11 5.18 -2.24 -0.26 -4.84 114.28 109.11 3i5k n THR 438 Ca -0.02 -2.73 -0.05 0.00 -2.27 0.00 0.00 64.05 58.98 3i5k n THR 438 Cb 0.56 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.80 -0.15 -6.87 3.22 3.38 -1.92 -3.31 115.31 110.47 3i5k h LEU 439 Ca -0.03 0.09 -0.77 0.00 0.09 0.00 0.00 57.88 57.26 3i5k h LEU 439 Cb 1.11 0.15 -0.19 0.00 0.09 0.00 0.00 40.66 41.82 3i5k h LEU 439 CO 0.01 -0.04 1.53 -0.67 0.09 0.00 0.00 178.44 179.36 3i5k n ASP 440 N -5.19 5.43 -3.63 -0.43 2.03 -1.26 -4.22 116.55 109.28 3i5k n ASP 440 Ca 0.02 -3.14 -0.02 0.00 0.52 0.00 0.00 54.79 52.17 3i5k n ASP 440 Cb 0.20 -1.45 -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 -0.18 0.58 0.28 -0.67 0.74 -1.25 -5.10 119.66 114.07 3i5k s GLN 441 Ca 0.38 1.33 -0.30 0.00 0.05 0.00 0.00 55.36 56.82 3i5k s GLN 441 Cb 0.05 0.66 -0.11 0.00 1.10 0.00 0.00 33.01 34.71 3i5k s GLN 441 CO 0.02 -0.18 1.55 -0.80 -0.55 0.00 0.00 175.29 175.33 3i5k s ASN 442 N 2.55 6.46 -0.01 6.67 -0.87 -1.26 -4.30 114.94 124.18 3i5k s ASN 442 Ca -0.07 2.86 0.07 0.00 -1.57 0.00 0.00 52.86 54.16 3i5k s ASN 442 Cb -0.10 -2.63 -0.02 0.00 -0.02 0.00 0.00 41.25 38.48 3i5k s ASN 442 CO -0.19 -0.85 -0.23 -0.76 -2.57 0.00 0.00 177.10 172.50 3i5k s LEU 443 N -0.40 2.07 0.09 0.60 1.43 -0.26 -4.91 118.68 117.29 3i5k s LEU 443 Ca 0.62 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 53.05 3i5k s LEU 443 Cb -0.46 -1.17 -0.07 0.00 0.03 0.00 0.00 46.19 44.52 3i5k s LEU 443 CO 0.46 0.27 0.70 0.20 0.23 0.00 0.00 176.35 178.21 3i5k s ASN 444 N -0.66 7.22 0.10 2.29 0.02 -1.26 -2.00 114.94 120.65 3i5k s ASN 444 Ca 0.09 1.44 -0.07 0.00 -1.02 0.00 0.00 52.86 53.30 3i5k s ASN 444 Cb -0.09 -2.44 -0.01 0.00 0.02 0.00 0.00 41.25 38.73 3i5k s ASN 444 CO -0.00 0.16 0.17 0.72 0.02 0.00 0.00 177.10 178.17 3i5k s PHE 445 N -0.72 0.31 -0.14 2.20 -0.12 -0.28 -1.13 117.98 118.10 3i5k s PHE 445 Ca 0.34 -0.74 -0.09 0.00 -0.05 0.00 0.00 56.93 56.39 3i5k s PHE 445 Cb -0.21 -0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.00 3i5k s PHE 445 CO 0.23 -0.56 0.17 -2.00 -0.05 0.00 0.00 175.22 173.01 3i5k s GLU 446 N -3.91 3.80 -0.17 1.99 2.56 -0.71 -0.58 118.70 121.68 3i5k s GLU 446 Ca 0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 54.97 54.89 3i5k s GLU 446 Cb 0.05 -3.29 0.07 0.00 2.00 0.00 0.00 34.13 32.96 3i5k s GLU 446 CO -0.07 0.56 0.39 1.41 -0.56 0.00 0.00 175.26 176.99 3i5k s MET 447 N -0.43 0.34 -1.54 4.30 -2.45 -0.23 -4.39 119.30 114.89 3i5k s MET 447 Ca 0.14 0.85 -0.14 0.00 -1.25 0.00 0.00 55.69 55.28 3i5k s MET 447 Cb -0.12 0.08 0.10 0.00 1.25 0.00 0.00 34.83 36.14 3i5k s MET 447 CO 0.03 -0.20 0.87 0.66 1.05 0.00 0.00 175.02 177.43 3i5k n TYR 448 N 4.71 -2.11 -0.96 4.11 4.02 -1.26 -2.44 117.16 123.22 3i5k n TYR 448 Ca -0.17 0.81 0.00 0.00 -0.01 0.00 0.00 57.90 58.53 3i5k n TYR 448 Cb 0.53 -3.64 0.00 0.00 -0.02 0.00 0.00 39.34 36.21 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 0.35 3.45 2.72 0.00 -1.26 -4.15 105.19 104.75 3i5k n GLY 449 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.11 2.42 -0.14 1.61 1.04 -1.02 0.41 113.70 115.91 3i5k s SER 450 Ca 0.00 -1.37 -0.08 0.00 0.48 0.00 0.00 55.95 54.98 3i5k s SER 450 Cb 0.00 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 3i5k s SER 450 CO 0.00 -0.60 0.14 -0.69 0.98 0.00 0.00 173.24 173.07 3i5k s VAL 451 N -3.27 5.46 0.18 5.02 1.01 0.04 -1.07 120.40 127.77 3i5k s VAL 451 Ca 0.36 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.57 3i5k s VAL 451 Cb 0.09 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3i5k s VAL 451 CO 0.15 0.58 -0.04 -0.31 0.00 0.00 0.00 175.10 175.49 3i5k s TYR 452 N -0.73 1.36 -0.08 5.22 2.02 0.25 -1.29 117.35 124.10 3i5k s TYR 452 Ca 0.13 -0.88 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 3i5k s TYR 452 Cb -0.12 -0.75 0.02 0.00 -0.40 0.00 0.00 41.96 40.71 3i5k s TYR 452 CO 0.03 -0.04 -0.08 0.45 -1.57 0.00 0.00 175.55 174.34 3i5k s SER 453 N -3.22 1.69 -0.03 2.29 0.15 -0.45 -1.12 113.70 113.01 3i5k s SER 453 Ca 0.23 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 3i5k s SER 453 Cb 0.05 -0.71 0.01 0.00 -1.71 0.00 0.00 66.02 63.66 3i5k s SER 453 CO 0.04 -0.05 0.06 -0.69 1.20 0.00 0.00 173.24 173.80 3i5k s VAL 454 N 1.16 -0.02 -0.19 4.45 1.01 -0.85 -3.33 120.40 122.64 3i5k s VAL 454 Ca -0.06 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3i5k s VAL 454 Cb -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.14 3i5k s VAL 454 CO -0.02 0.02 1.07 0.21 0.00 0.00 0.00 175.10 176.39 3i5k s ASN 455 N 0.35 7.11 0.59 3.32 3.84 -1.26 -1.10 114.94 127.78 3i5k s ASN 455 Ca -0.03 1.47 0.29 0.00 0.21 0.00 0.00 52.86 54.80 3i5k s ASN 455 Cb -0.04 -2.54 1.65 0.00 -0.55 0.00 0.00 41.25 39.77 3i5k s ASN 455 CO -0.01 -0.64 2.09 -0.65 -2.79 0.00 0.00 177.10 175.10 3i5k h PRO 456 N 7.48 0.00 0.00 0.43 0.11 -1.76 0.02 132.00 138.28 3i5k h PRO 456 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3i5k h PRO 456 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i5k h PRO 456 CO 0.95 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.02 3i5k n LEU 457 N -3.79 0.64 -0.92 2.35 4.77 -1.26 -2.11 117.00 116.67 3i5k n LEU 457 Ca 0.02 0.69 0.11 0.00 -0.03 0.00 0.00 56.01 56.79 3i5k n LEU 457 Cb 0.34 -0.64 0.27 0.00 -2.33 0.00 0.00 43.42 41.06 3i5k n LEU 457 CO 0.27 -0.66 0.73 0.47 -1.33 0.00 0.00 177.39 176.86 3i5k n ASP 458 N -2.24 2.73 -0.32 -1.43 8.00 -0.01 -4.56 116.55 118.72 3i5k n ASP 458 Ca 0.01 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.61 3i5k n ASP 458 Cb 0.18 -0.23 0.13 0.00 -0.02 0.00 0.00 41.12 41.18 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 3.40 0.89 -0.39 0.64 3.38 -1.54 -2.12 115.31 119.57 3i5k h LEU 459 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3i5k h LEU 459 Cb 0.76 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3i5k h LEU 459 CO 0.00 0.59 0.12 -0.65 0.09 0.00 0.00 178.44 178.58 3i5k h PRO 460 N 1.04 0.25 -0.73 1.13 0.11 -1.83 0.50 132.00 132.46 3i5k h PRO 460 Ca 0.37 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.43 3i5k h PRO 460 Cb 0.11 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 3i5k h PRO 460 CO -0.15 0.17 0.32 0.00 -0.21 0.00 0.00 178.00 178.13 3i5k h ALA 461 N 1.27 0.95 -0.28 -0.75 0.00 -1.85 -1.46 119.26 117.13 3i5k h ALA 461 Ca 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3i5k h ALA 461 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i5k h ALA 461 CO -0.21 0.54 -0.02 0.82 0.00 0.00 0.00 179.25 180.39 3i5k h ILE 462 N 1.04 1.26 -0.44 0.00 2.04 -1.04 -1.59 117.51 118.78 3i5k h ILE 462 Ca 0.25 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 3i5k h ILE 462 Cb 0.17 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3i5k h ILE 462 CO -0.03 0.31 0.04 0.40 0.00 0.00 0.00 178.15 178.88 3i5k h ILE 463 N 0.29 1.25 -0.48 -0.67 2.04 -0.86 -0.72 117.51 118.36 3i5k h ILE 463 Ca 0.08 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.98 3i5k h ILE 463 Cb 0.46 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3i5k h ILE 463 CO 0.02 0.33 0.30 -0.08 0.00 0.00 0.00 178.15 178.72 3i5k h GLU 464 N 0.61 0.63 -0.77 2.37 4.81 -1.25 0.34 114.58 121.32 3i5k h GLU 464 Ca 0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3i5k h GLU 464 Cb 0.43 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3i5k h GLU 464 CO 0.01 0.44 0.48 -0.09 -0.73 0.00 0.00 179.01 179.13 3i5k h ARG 465 N 0.64 1.03 0.09 1.92 9.65 -1.05 0.94 114.38 127.60 3i5k h ARG 465 Ca 0.17 -0.08 -0.30 0.00 -1.10 0.00 0.00 59.98 58.67 3i5k h ARG 465 Cb -0.05 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.29 3i5k h ARG 465 CO -0.04 0.70 -1.55 -0.07 2.80 0.00 0.00 179.97 181.81 3i5k h LEU 466 N 1.04 0.31 -0.32 3.80 3.38 -0.87 -3.40 115.31 119.26 3i5k h LEU 466 Ca 0.28 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3i5k h LEU 466 Cb -0.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3i5k h LEU 466 CO -0.06 1.39 -0.02 1.41 0.09 0.00 0.00 178.44 181.25 3i5k n HIS 467 N -3.39 0.00 -0.30 1.13 8.25 0.12 -4.62 115.22 116.40 3i5k n HIS 467 Ca -0.17 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.33 3i5k n HIS 467 Cb 1.04 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.13 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 0.72 -2.46 0.33 -1.41 0.00 0.32 -4.20 105.19 98.49 3i5k n GLY 468 Ca 0.00 -1.39 0.20 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.29 0.00 -1.75 0.99 3.38 -1.88 -2.16 115.31 113.60 3i5k h LEU 469 Ca -0.03 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.18 3i5k h LEU 469 Cb 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3i5k h LEU 469 CO 0.01 0.00 0.63 0.44 0.09 0.00 0.00 178.44 179.61 3i5k h ASP 470 N 0.00 0.20 0.31 -0.43 3.32 -1.96 -1.82 116.42 116.04 3i5k h ASP 470 Ca 0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3i5k h ASP 470 Cb 0.18 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3i5k h ASP 470 CO -0.00 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 3i5k h ALA 471 N 1.58 1.00 -0.01 3.45 0.00 -1.55 -0.77 119.26 122.95 3i5k h ALA 471 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3i5k h ALA 471 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3i5k h ALA 471 CO -0.10 0.00 -0.45 1.19 0.00 0.00 0.00 179.25 179.89 3i5k n PHE 472 N -2.99 0.00 -0.62 0.00 3.72 -0.68 -4.43 117.46 112.45 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 0.14 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3i5k n PHE 472 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3i5k n SER 473 N -0.47 0.64 -4.68 4.37 3.41 -0.37 -4.55 113.62 111.97 3i5k n SER 473 Ca 0.10 -1.26 -0.46 0.00 -0.26 0.00 0.00 58.87 56.99 3i5k n SER 473 Cb 0.40 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 3i5k n SER 473 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3i5k n MET 474 N -0.13 2.29 -4.19 4.33 0.00 -0.74 -4.36 117.12 114.31 3i5k n MET 474 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 57.70 58.37 3i5k n MET 474 Cb 0.33 -2.63 -0.07 0.00 0.00 0.00 0.00 33.22 30.85 3i5k n MET 474 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 3i5k s HIS 475 N 1.67 1.35 -1.06 1.12 -3.43 0.29 -4.96 115.29 110.27 3i5k s HIS 475 Ca 0.81 -1.44 -0.17 0.00 -0.80 0.00 0.00 55.06 53.46 3i5k s HIS 475 Cb -0.64 -0.44 -0.00 0.00 -1.43 0.00 0.00 32.58 30.07 3i5k s HIS 475 CO 0.40 -0.92 0.76 2.41 -2.00 0.00 0.00 174.74 175.38 3i5k n THR 476 N -0.52 -5.86 -1.11 -5.38 -1.04 -1.26 -1.20 114.28 97.91 3i5k n THR 476 Ca 0.04 -0.75 -0.32 0.00 -2.04 0.00 0.00 64.05 60.98 3i5k n THR 476 Cb 0.63 -4.35 0.12 0.00 -1.82 0.00 0.00 70.33 64.91 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 -3.36 2.15 0.57 -1.42 2.02 -1.26 -3.61 117.35 112.44 3i5k s TYR 477 Ca 0.37 1.65 -0.18 0.00 -0.37 0.00 0.00 57.07 58.54 3i5k s TYR 477 Cb -0.14 -3.23 -0.04 0.00 -0.40 0.00 0.00 41.96 38.16 3i5k s TYR 477 CO 0.86 -2.28 1.12 -1.54 -1.57 0.00 0.00 175.55 172.14 3i5k s SER 478 N -2.88 5.57 0.22 2.29 1.04 -1.21 -4.84 113.70 113.89 3i5k s SER 478 Ca 0.65 2.12 -0.08 0.00 0.48 0.00 0.00 55.95 59.12 3i5k s SER 478 Cb -0.21 -2.57 0.24 0.00 0.10 0.00 0.00 66.02 63.57 3i5k s SER 478 CO 0.54 -1.32 1.85 0.45 0.98 0.00 0.00 173.24 175.74 3i5k h HIS 479 N 0.87 0.90 -0.98 5.02 3.86 -1.94 -0.87 115.15 122.02 3i5k h HIS 479 Ca -0.49 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.75 3i5k h HIS 479 Cb 1.26 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 29.38 3i5k h HIS 479 CO 0.52 0.50 0.65 0.45 0.86 0.00 0.00 177.93 180.91 3i5k h HIS 480 N 0.93 1.23 -0.06 2.45 3.86 -1.99 0.12 115.15 121.69 3i5k h HIS 480 Ca 0.32 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.53 3i5k h HIS 480 Cb 0.05 -0.42 -0.00 0.00 1.06 0.00 0.00 27.41 28.11 3i5k h HIS 480 CO -0.04 0.78 -0.06 1.49 0.86 0.00 0.00 177.93 180.96 3i5k h GLU 481 N 1.33 0.14 -0.68 2.45 4.57 -1.87 -1.89 114.58 118.63 3i5k h GLU 481 Ca 0.36 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.49 3i5k h GLU 481 Cb -0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.40 3i5k h GLU 481 CO -0.08 0.60 0.42 -0.07 -1.18 0.00 0.00 179.01 178.71 3i5k h LEU 482 N -0.31 0.69 -0.41 1.64 3.38 -1.02 -1.70 115.31 117.58 3i5k h LEU 482 Ca 0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3i5k h LEU 482 Cb 0.58 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3i5k h LEU 482 CO 0.02 0.48 0.20 0.74 0.09 0.00 0.00 178.44 179.97 3i5k h THR 483 N 0.83 0.97 -0.45 0.22 2.02 -0.76 -1.46 112.91 114.28 3i5k h THR 483 Ca 0.27 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3i5k h THR 483 Cb 0.02 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3i5k h THR 483 CO -0.11 0.07 0.30 -0.09 0.37 0.00 0.00 175.52 176.07 3i5k h ARG 484 N 0.41 0.59 -0.19 6.66 2.43 -1.02 -1.86 114.38 121.40 3i5k h ARG 484 Ca 0.18 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3i5k h ARG 484 Cb 0.09 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3i5k h ARG 484 CO -0.13 0.39 0.08 0.28 -1.51 0.00 0.00 179.97 179.09 3i5k h VAL 485 N 0.61 1.15 -0.69 0.20 2.07 -1.09 -1.97 116.25 116.53 3i5k h VAL 485 Ca 0.17 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3i5k h VAL 485 Cb -0.07 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3i5k h VAL 485 CO -0.04 0.14 0.25 0.00 0.02 0.00 0.00 177.57 177.95 3i5k h ALA 486 N 0.93 0.90 -0.78 1.67 0.00 -1.20 -1.36 119.26 119.42 3i5k h ALA 486 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3i5k h ALA 486 Cb 0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3i5k h ALA 486 CO -0.01 0.55 0.32 1.03 0.00 0.00 0.00 179.25 181.15 3i5k h SER 487 N 1.00 1.07 -0.61 0.00 0.87 -1.27 -0.85 113.55 113.74 3i5k h SER 487 Ca 0.23 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 3i5k h SER 487 Cb 0.25 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3i5k h SER 487 CO -0.01 0.94 0.15 0.00 -0.53 0.00 0.00 176.83 177.38 3i5k h ALA 488 N 1.17 0.81 -0.50 6.23 0.00 -0.97 -1.11 119.26 124.89 3i5k h ALA 488 Ca 0.26 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3i5k h ALA 488 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3i5k h ALA 488 CO -0.02 0.52 0.11 -0.07 0.00 0.00 0.00 179.25 179.78 3i5k h LEU 489 N 0.89 0.76 -0.51 0.00 3.38 -0.96 -2.22 115.31 116.66 3i5k h LEU 489 Ca 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3i5k h LEU 489 Cb 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3i5k h LEU 489 CO 0.00 0.81 0.20 0.03 0.09 0.00 0.00 178.44 179.57 3i5k h ARG 490 N 0.69 0.77 -0.97 1.13 3.08 -1.05 -0.66 114.38 117.37 3i5k h ARG 490 Ca 0.15 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3i5k h ARG 490 Cb 0.35 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 3i5k h ARG 490 CO 0.00 0.69 0.63 -0.22 -1.07 0.00 0.00 179.97 180.00 3i5k h LYS 491 N 0.69 1.14 -0.01 0.04 3.64 -0.99 -2.65 116.57 118.43 3i5k h LYS 491 Ca 0.17 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3i5k h LYS 491 Cb 0.21 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3i5k h LYS 491 CO -0.01 0.75 -0.29 1.28 -2.27 0.00 0.00 179.45 178.91 3i5k n LEU 492 N -4.47 1.21 -1.62 5.20 4.77 -0.85 -4.93 117.00 116.31 3i5k n LEU 492 Ca 0.14 -0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 55.66 3i5k n LEU 492 Cb 0.14 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3i5k n LEU 492 CO 0.34 0.23 0.03 0.61 -1.33 0.00 0.00 177.39 177.26 3i5k n GLY 493 N 1.35 0.17 3.89 -0.72 0.00 -0.91 -1.71 105.19 107.26 3i5k n GLY 493 Ca 0.12 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.91 3.62 0.54 4.61 0.00 -0.30 -0.72 121.76 126.60 3i5k s ALA 494 Ca 0.17 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 3i5k s ALA 494 Cb -0.08 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 3i5k s ALA 494 CO 0.22 0.46 1.25 -2.30 0.00 0.00 0.00 175.76 175.38 3i5k n PRO 495 N -0.33 1.50 -1.20 0.00 -0.02 -1.26 -4.60 135.00 129.09 3i5k n PRO 495 Ca -0.01 0.56 -0.29 0.00 -2.02 0.00 0.00 63.50 61.74 3i5k n PRO 495 Cb 0.53 -2.44 0.17 0.00 -0.02 0.00 0.00 33.50 31.73 3i5k n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i5k s PRO 496 N -2.77 0.63 0.46 0.52 0.04 -1.26 -4.80 135.00 127.82 3i5k s PRO 496 Ca 0.72 0.56 0.17 0.00 0.04 0.00 0.00 61.00 62.48 3i5k s PRO 496 Cb -0.43 -1.76 1.06 0.00 0.04 0.00 0.00 34.50 33.42 3i5k s PRO 496 CO 0.50 -2.61 2.00 -0.07 0.04 0.00 0.00 177.00 176.86 3i5k h LEU 497 N -1.80 0.00 -1.36 -3.56 3.38 -1.99 -1.43 115.31 108.55 3i5k h LEU 497 Ca -0.53 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 3i5k h LEU 497 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3i5k h LEU 497 CO 0.57 0.18 0.12 0.08 0.09 0.00 0.00 178.44 179.48 3i5k h ARG 498 N 0.00 0.55 -0.23 1.13 0.11 -2.00 -0.51 114.38 113.45 3i5k h ARG 498 Ca -0.00 -0.08 -0.20 0.00 0.10 0.00 0.00 59.98 59.80 3i5k h ARG 498 Cb 0.34 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.33 3i5k h ARG 498 CO 0.02 0.49 -0.62 0.28 0.10 0.00 0.00 179.97 180.24 3i5k h VAL 499 N 0.55 1.28 -0.71 0.08 2.07 -1.63 -2.96 116.25 114.94 3i5k h VAL 499 Ca 0.13 -1.82 0.04 0.00 0.82 0.00 0.00 66.70 65.88 3i5k h VAL 499 Cb 0.17 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3i5k h VAL 499 CO -0.01 0.58 0.47 -0.50 0.02 0.00 0.00 177.57 178.13 3i5k h TRP 500 N 0.58 0.81 -0.55 1.57 4.06 -1.14 -1.82 115.95 119.46 3i5k h TRP 500 Ca -0.01 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.84 3i5k h TRP 500 Cb 1.24 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 29.11 3i5k h TRP 500 CO 0.08 0.46 -0.10 -0.22 -3.56 0.00 0.00 178.44 175.10 3i5k h LYS 501 N 0.83 1.04 -0.42 0.49 3.64 -1.05 -0.60 116.57 120.51 3i5k h LYS 501 Ca 0.29 -0.38 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 3i5k h LYS 501 Cb 0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3i5k h LYS 501 CO -0.09 1.07 -0.02 0.77 -2.27 0.00 0.00 179.45 178.92 3i5k h SER 502 N 0.92 0.74 -0.75 4.20 0.02 -1.33 -2.25 113.55 115.10 3i5k h SER 502 Ca 0.14 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3i5k h SER 502 Cb 0.67 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 3i5k h SER 502 CO 0.05 0.88 0.48 -0.09 -1.14 0.00 0.00 176.83 177.01 3i5k h ARG 503 N 0.58 0.99 -0.63 3.45 2.43 -1.27 -2.77 114.38 117.16 3i5k h ARG 503 Ca 0.12 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3i5k h ARG 503 Cb 0.51 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3i5k h ARG 503 CO 0.03 0.67 0.20 0.00 -1.51 0.00 0.00 179.97 179.35 3i5k h ALA 504 N 1.26 1.16 -0.89 2.80 0.00 -0.94 -0.66 119.26 121.99 3i5k h ALA 504 Ca 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i5k h ALA 504 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3i5k h ALA 504 CO -0.06 0.58 0.54 0.00 0.00 0.00 0.00 179.25 180.32 3i5k h ARG 505 N 0.93 1.20 0.01 0.00 3.08 -1.12 0.13 114.38 118.61 3i5k h ARG 505 Ca 0.21 -0.10 -0.26 0.00 0.07 0.00 0.00 59.98 59.90 3i5k h ARG 505 Cb 0.27 -0.25 0.02 0.00 0.08 0.00 0.00 29.97 30.08 3i5k h ARG 505 CO -0.01 0.84 -1.03 0.00 -1.07 0.00 0.00 179.97 178.70 3i5k h ALA 506 N 1.37 0.19 -0.65 0.04 0.00 -1.39 -2.29 119.26 116.53 3i5k h ALA 506 Ca 0.32 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3i5k h ALA 506 Cb -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3i5k h ALA 506 CO -0.06 0.73 0.34 0.28 0.00 0.00 0.00 179.25 180.54 3i5k h VAL 507 N 0.33 1.21 -0.44 0.00 2.07 -0.67 -2.09 116.25 116.65 3i5k h VAL 507 Ca -0.12 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3i5k h VAL 507 Cb 1.68 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3i5k h VAL 507 CO 0.19 0.23 0.17 -0.09 0.02 0.00 0.00 177.57 178.10 3i5k h ARG 508 N 0.89 0.67 -0.89 1.57 2.43 -0.75 -1.28 114.38 117.01 3i5k h ARG 508 Ca 0.23 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3i5k h ARG 508 Cb 0.07 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.46 3i5k h ARG 508 CO -0.03 0.62 0.59 0.00 -1.51 0.00 0.00 179.97 179.63 3i5k h ALA 509 N 1.02 1.14 -0.29 2.80 0.00 -1.23 -0.82 119.26 121.88 3i5k h ALA 509 Ca 0.15 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3i5k h ALA 509 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3i5k h ALA 509 CO -0.01 0.51 -0.46 0.77 0.00 0.00 0.00 179.25 180.06 3i5k h SER 510 N 1.19 0.84 -0.29 0.00 0.02 -1.06 -2.10 113.55 112.16 3i5k h SER 510 Ca 0.33 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3i5k h SER 510 Cb -0.11 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 3i5k h SER 510 CO -0.08 1.17 0.07 -0.07 -1.14 0.00 0.00 176.83 176.77 3i5k h LEU 511 N 0.61 0.44 -0.79 5.07 3.38 -1.06 -3.17 115.31 119.78 3i5k h LEU 511 Ca 0.04 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3i5k h LEU 511 Cb 1.03 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3i5k h LEU 511 CO 0.10 0.56 0.51 0.40 0.09 0.00 0.00 178.44 180.10 3i5k h ILE 512 N 0.29 1.21 0.00 1.22 2.04 -1.03 -2.18 117.51 119.06 3i5k h ILE 512 Ca 0.09 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3i5k h ILE 512 Cb 0.29 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3i5k h ILE 512 CO 0.00 0.20 0.00 -1.54 0.00 0.00 0.00 178.15 176.81 3i5k n SER 513 N -4.52 0.47 0.09 1.72 3.41 -0.80 -1.68 113.62 112.30 3i5k n SER 513 Ca 0.08 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 3i5k n SER 513 Cb 0.02 -0.74 0.30 0.00 -0.26 0.00 0.00 64.21 63.54 3i5k n SER 513 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i5k n ARG 514 N -2.05 0.27 -0.14 4.33 1.74 -0.83 -5.06 116.66 114.92 3i5k n ARG 514 Ca 0.01 0.16 0.02 0.00 -0.77 0.00 0.00 57.85 57.27 3i5k n ARG 514 Cb 0.14 -1.75 -0.00 0.00 -1.02 0.00 0.00 32.46 29.83 3i5k n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i5k n GLY 515 N 1.32 -1.29 7.00 -0.13 0.00 -0.67 -4.84 105.19 106.58 3i5k n GLY 515 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.43 2.97 0.29 -0.02 0.00 -1.26 -1.93 105.19 104.81 3i5k n GLY 516 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 1.00 -0.80 1.61 1.57 -1.92 -2.91 116.57 115.12 3i5k h LYS 517 Ca 0.00 -0.36 0.13 0.00 -1.87 0.00 0.00 60.65 58.55 3i5k h LYS 517 Cb 0.00 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.15 3i5k h LYS 517 CO 0.00 1.04 0.39 0.00 -0.57 0.00 0.00 179.45 180.31 3i5k h ALA 518 N 0.93 1.17 -0.17 3.86 0.00 -1.83 -1.14 119.26 122.08 3i5k h ALA 518 Ca 0.14 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3i5k h ALA 518 Cb 0.64 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i5k h ALA 518 CO 0.04 -0.10 -0.29 0.00 0.00 0.00 0.00 179.25 178.91 3i5k h ALA 519 N 1.53 1.20 -0.42 0.00 0.00 -1.20 -1.11 119.26 119.26 3i5k h ALA 519 Ca 0.43 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3i5k h ALA 519 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3i5k h ALA 519 CO -0.35 0.52 0.06 0.28 0.00 0.00 0.00 179.25 179.77 3i5k h VAL 520 N 0.28 1.24 -0.37 0.00 2.07 -1.19 -0.65 116.25 117.64 3i5k h VAL 520 Ca 0.04 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3i5k h VAL 520 Cb 0.66 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3i5k h VAL 520 CO 0.05 0.31 0.24 0.00 0.02 0.00 0.00 177.57 178.19 3i5k h GLY 522 N 0.50 -0.13 0.89 0.00 0.00 -1.05 0.21 103.07 103.49 3i5k h GLY 522 Ca 0.13 0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.63 3i5k h GLY 522 CO -0.03 -0.19 -0.26 3.21 0.00 0.00 0.00 176.54 179.27 3i5k h ARG 523 N -0.23 0.57 0.02 4.80 3.08 -0.88 -3.07 114.38 118.67 3i5k h ARG 523 Ca 0.13 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 3i5k h ARG 523 Cb 0.42 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3i5k h ARG 523 CO -0.35 0.91 -0.20 1.88 -1.07 0.00 0.00 179.97 181.14 3i5k h TYR 524 N 0.27 0.09 0.00 3.04 -1.99 -1.11 -3.18 116.97 114.09 3i5k h TYR 524 Ca 0.03 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 3i5k h TYR 524 Cb 0.82 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.54 3i5k h TYR 524 CO 0.08 1.08 -0.26 -0.07 -0.00 0.00 0.00 178.16 178.98 3i5k h LEU 525 N -0.89 0.00 -3.02 3.88 3.38 -1.10 -3.27 115.31 114.30 3i5k h LEU 525 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i5k h LEU 525 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3i5k h LEU 525 CO 0.01 0.26 0.00 0.49 0.09 0.00 0.00 178.44 179.30 3i5k n PHE 526 N -3.36 0.07 0.28 1.13 3.72 -1.16 -4.66 117.46 113.48 3i5k n PHE 526 Ca 0.01 -0.95 0.13 0.00 -0.05 0.00 0.00 57.45 56.59 3i5k n PHE 526 Cb 0.48 -0.15 0.83 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 0.13 0.00 0.56 4.37 -1.24 -1.60 -1.25 115.58 116.56 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 0.99 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.04 3i5k h ASN 527 CO 0.01 0.00 0.00 4.11 -1.29 0.00 0.00 177.43 180.26 3i5k h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.83 -3.16 115.95 116.71 3i5k h TRP 528 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 3i5k h TRP 528 Cb 0.01 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.16 3i5k h TRP 528 CO 0.00 0.00 -0.93 0.00 -1.28 0.00 0.00 178.44 176.23 3i5k h ALA 529 N 2.00 0.62 -2.69 0.11 0.00 -1.59 -3.47 119.26 114.24 3i5k h ALA 529 Ca 0.00 -0.24 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 3i5k h ALA 529 Cb 0.28 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3i5k h ALA 529 CO 0.00 0.28 -0.29 0.14 0.00 0.00 0.00 179.25 179.38 3i5k s VAL 530 N -3.20 5.14 -0.00 0.00 -7.23 -1.20 -4.83 120.40 109.07 3i5k s VAL 530 Ca 0.00 0.17 -0.24 0.00 -1.81 0.00 0.00 61.98 60.10 3i5k s VAL 530 Cb 0.09 -3.62 -0.16 0.00 0.56 0.00 0.00 36.38 33.24 3i5k s VAL 530 CO 0.78 0.11 1.16 0.50 -0.31 0.00 0.00 175.10 177.33 3i5k h LYS 531 N 3.07 -0.37 -5.90 4.82 3.64 -1.90 -3.39 116.57 116.54 3i5k h LYS 531 Ca -0.47 0.03 -0.59 0.00 -1.27 0.00 0.00 60.65 58.35 3i5k h LYS 531 Cb 1.17 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.97 3i5k h LYS 531 CO 0.71 -0.03 0.79 0.99 -2.27 0.00 0.00 179.45 179.63 3i5k s THR 532 N -4.41 4.04 0.30 1.00 2.01 -1.26 -5.01 115.64 112.31 3i5k s THR 532 Ca -0.14 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 3i5k s THR 532 Cb 0.02 -4.79 -0.10 0.00 0.01 0.00 0.00 72.50 67.64 3i5k s THR 532 CO 0.52 -1.63 1.12 -0.54 -0.69 0.00 0.00 174.62 173.40 3i5k s LYS 533 N 4.86 4.53 0.35 4.92 -0.14 -1.26 -5.04 119.74 127.95 3i5k s LYS 533 Ca 0.29 1.83 -0.19 0.00 -1.36 0.00 0.00 55.97 56.53 3i5k s LYS 533 Cb -0.12 -3.08 -0.10 0.00 -1.68 0.00 0.00 37.83 32.85 3i5k s LYS 533 CO 0.13 0.10 0.83 -0.51 -0.76 0.00 0.00 175.35 175.14 3i5k s LEU 534 N -1.67 4.10 -0.42 3.17 1.43 -1.26 -5.03 118.68 118.99 3i5k s LEU 534 Ca 0.47 1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 54.83 3i5k s LEU 534 Cb -0.32 -4.16 0.02 0.00 0.03 0.00 0.00 46.19 41.76 3i5k s LEU 534 CO 0.41 -0.21 0.91 -0.75 0.23 0.00 0.00 176.35 176.94 3i5k s LYS 535 N -2.79 3.65 -0.18 1.70 2.20 -1.26 -5.02 119.74 118.04 3i5k s LYS 535 Ca 0.55 0.31 -0.19 0.00 -0.36 0.00 0.00 55.97 56.27 3i5k s LYS 535 Cb -0.12 -3.88 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 3i5k s LYS 535 CO 0.17 -1.10 0.55 -0.51 -0.36 0.00 0.00 175.35 174.10 3i5k s LEU 536 N 3.60 4.17 0.24 5.43 1.43 -1.26 -5.07 118.68 127.22 3i5k s LEU 536 Ca 0.37 0.75 0.08 0.00 -1.03 0.00 0.00 54.13 54.30 3i5k s LEU 536 Cb -0.11 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 3i5k s LEU 536 CO 0.23 -0.17 0.11 0.42 0.23 0.00 0.00 176.35 177.16 3i5k s THR 537 N 1.53 4.05 0.20 5.49 -4.23 -1.26 -5.06 115.64 116.35 3i5k s THR 537 Ca 0.26 -1.56 -0.33 0.00 -1.18 0.00 0.00 61.69 58.89 3i5k s THR 537 Cb -0.16 -3.16 -0.14 0.00 1.34 0.00 0.00 72.50 70.39 3i5k s THR 537 CO 0.10 -0.32 1.50 -2.65 -0.54 0.00 0.00 174.62 172.71 3i5k n PRO 538 N -0.93 2.09 -2.65 3.99 -0.02 -1.26 -4.94 135.00 131.28 3i5k n PRO 538 Ca -0.08 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 3i5k n PRO 538 Cb 0.58 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3i5k n PRO 538 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i5k s LEU 539 N 0.51 4.29 0.44 2.45 1.43 -1.26 -4.94 118.68 121.59 3i5k s LEU 539 Ca 0.74 1.63 0.13 0.00 -1.03 0.00 0.00 54.13 55.60 3i5k s LEU 539 Cb -0.67 -3.56 1.02 0.00 0.03 0.00 0.00 46.19 43.01 3i5k s LEU 539 CO 0.43 -0.42 2.00 -0.65 0.23 0.00 0.00 176.35 177.94 3i5k h PRO 540 N 7.05 0.39 0.00 1.29 0.11 -2.02 -2.31 132.00 136.51 3i5k h PRO 540 Ca -0.34 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 3i5k h PRO 540 Cb 1.17 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3i5k h PRO 540 CO 0.83 0.26 -0.19 0.93 -0.21 0.00 0.00 178.00 179.62 3i5k h GLU 541 N 0.41 0.00 -0.21 1.05 3.07 -1.98 -3.02 114.58 113.91 3i5k h GLU 541 Ca 0.25 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.04 3i5k h GLU 541 Cb 0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3i5k h GLU 541 CO -0.06 0.19 -0.15 0.00 -1.40 0.00 0.00 179.01 177.58 3i5k h ALA 542 N 1.81 1.36 0.00 3.43 0.00 -1.65 -2.12 119.26 122.10 3i5k h ALA 542 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3i5k h ALA 542 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i5k h ALA 542 CO 0.02 0.44 -0.26 0.00 0.00 0.00 0.00 179.25 179.45 3i5k h ARG 543 N 0.32 0.00 0.00 0.00 3.08 -1.66 -3.10 114.38 113.01 3i5k h ARG 543 Ca 0.06 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 3i5k h ARG 543 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3i5k h ARG 543 CO 0.03 0.26 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.83 3i5k h LEU 544 N 0.00 0.00 -9.50 3.04 4.07 -1.42 -3.44 115.31 108.05 3i5k h LEU 544 Ca -0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 3i5k h LEU 544 Cb 0.97 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 3i5k h LEU 544 CO 0.03 0.29 0.27 -0.76 -1.08 0.00 0.00 178.44 177.19 3i5k s LEU 545 N -7.91 4.44 -0.59 1.67 1.43 -1.17 -4.61 118.68 111.94 3i5k s LEU 545 Ca -0.03 1.59 -0.06 0.00 -1.03 0.00 0.00 54.13 54.60 3i5k s LEU 545 Cb 0.14 -3.41 0.15 0.00 0.03 0.00 0.00 46.19 43.10 3i5k s LEU 545 CO 0.68 -0.08 0.43 -0.62 0.23 0.00 0.00 176.35 176.99 3i5k s ASP 546 N 0.26 5.58 0.00 2.29 2.15 0.11 -4.89 116.67 122.18 3i5k s ASP 546 Ca 0.44 -2.48 0.14 0.00 0.43 0.00 0.00 52.55 51.08 3i5k s ASP 546 Cb -0.21 -1.94 0.27 0.00 -0.30 0.00 0.00 42.92 40.74 3i5k s ASP 546 CO 0.26 -0.50 1.16 0.18 -0.17 0.00 0.00 175.17 176.10 3i5k n LEU 547 N 4.07 2.76 0.31 -1.34 4.32 -1.26 -4.43 117.00 121.42 3i5k n LEU 547 Ca 0.03 -1.56 0.20 0.00 -0.02 0.00 0.00 56.01 54.66 3i5k n LEU 547 Cb 0.40 -0.17 0.98 0.00 -1.62 0.00 0.00 43.42 43.02 3i5k n LEU 547 CO 0.36 0.62 1.10 0.77 -1.22 0.00 0.00 177.39 179.02 3i5k h SER 548 N 2.69 0.00 0.00 -1.43 4.64 -1.97 -1.15 113.55 116.33 3i5k h SER 548 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3i5k h SER 548 Cb 0.71 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.72 3i5k h SER 548 CO 0.00 0.00 -0.46 -1.54 -0.87 0.00 0.00 176.83 173.96 3i5k n SER 549 N -3.05 1.48 0.17 4.97 3.41 -1.26 -4.85 113.62 114.49 3i5k n SER 549 Ca -0.01 -2.99 0.09 0.00 -0.26 0.00 0.00 58.87 55.69 3i5k n SER 549 Cb 0.17 -0.40 0.60 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.56 0.10 0.05 7.33 7.01 -1.51 -0.96 115.95 128.52 3i5k h TRP 550 Ca -0.05 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.78 3i5k h TRP 550 Cb 1.24 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.25 3i5k h TRP 550 CO 0.32 0.06 -0.94 0.74 -2.79 0.00 0.00 178.44 175.83 3i5k h PHE 551 N 0.11 0.17 -0.72 2.65 -1.00 -1.83 -3.35 116.94 112.98 3i5k h PHE 551 Ca 0.07 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.73 3i5k h PHE 551 Cb 0.14 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.66 3i5k h PHE 551 CO -0.00 1.37 0.47 0.00 -1.61 0.00 0.00 178.31 178.54 3i5k h THR 552 N -0.74 1.18 -0.02 -1.55 1.03 -1.30 -1.76 112.91 109.76 3i5k h THR 552 Ca -0.23 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 3i5k h THR 552 Cb 1.39 0.13 -0.00 0.00 -1.07 0.00 0.00 68.15 68.60 3i5k h THR 552 CO -0.04 0.18 0.03 -0.37 -0.01 0.00 0.00 175.52 175.31 3i5k h VAL 553 N 0.97 0.28 0.00 0.00 -1.51 -1.34 -0.65 116.25 114.01 3i5k h VAL 553 Ca 0.26 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.64 3i5k h VAL 553 Cb -0.11 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 3i5k h VAL 553 CO -0.06 0.00 -0.45 1.23 -1.23 0.00 0.00 177.57 177.07 3i5k h GLY 554 N 0.00 0.00 -1.22 5.19 0.00 -1.44 -3.47 103.07 102.13 3i5k h GLY 554 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 3i5k h GLY 554 CO -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.14 3i5k n ALA 555 N -2.36 -0.35 -2.84 3.60 0.00 -0.25 -0.83 120.51 117.48 3i5k n ALA 555 Ca -0.01 0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.65 3i5k n ALA 555 Cb 0.52 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 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 -0.45 -0.49 0.39 0.00 0.00 -1.26 -4.40 105.19 98.99 3i5k n GLY 556 Ca -0.21 0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.71 5.01 5.53 -0.02 0.00 -0.01 -4.67 105.19 110.32 3i5k n GLY 557 Ca -0.02 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.25 1.99 1.99 -0.02 0.00 0.17 -4.46 105.19 103.61 3i5k n GLY 558 Ca 0.18 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 5.77 5.51 -4.09 1.61 2.03 -1.26 -4.31 116.55 121.82 3i5k n ASP 559 Ca 0.00 -2.61 -0.25 0.00 0.52 0.00 0.00 54.79 52.45 3i5k n ASP 559 Cb 0.00 -1.32 -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 0.16 1.25 -0.06 5.18 -1.09 -1.26 -4.47 121.20 120.92 3i5k s ILE 560 Ca 0.53 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 58.37 3i5k s ILE 560 Cb 0.27 -1.10 0.01 0.00 -1.58 0.00 0.00 42.46 40.06 3i5k s ILE 560 CO -0.04 0.37 -0.13 0.12 -1.23 0.00 0.00 174.94 174.03 3i5k s PHE 561 N 0.20 1.49 0.00 3.97 5.36 0.68 -0.78 117.98 128.90 3i5k s PHE 561 Ca -0.06 -0.50 0.02 0.00 -0.96 0.00 0.00 56.93 55.43 3i5k s PHE 561 Cb -0.12 -1.06 -0.01 0.00 -0.34 0.00 0.00 43.02 41.49 3i5k s PHE 561 CO 0.02 -0.23 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.49 3i5k s HIS 562 N 0.42 0.50 0.82 10.12 3.76 -0.41 -4.64 115.29 125.87 3i5k s HIS 562 Ca -0.10 -0.14 -0.06 0.00 -0.15 0.00 0.00 55.06 54.60 3i5k s HIS 562 Cb -0.14 -0.32 0.17 0.00 1.11 0.00 0.00 32.58 33.40 3i5k s HIS 562 CO 0.03 -0.02 1.13 -1.12 -0.85 0.00 0.00 174.74 173.91 3i5k s SER 563 N -0.32 3.77 -0.00 1.40 0.01 -1.26 -1.34 113.70 115.96 3i5k s SER 563 Ca 0.00 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.70 3i5k s SER 563 Cb -0.03 0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.23 3i5k s SER 563 CO -0.00 -2.27 1.34 -0.69 0.41 0.00 0.00 173.24 172.03 3i5k s VAL 564 N -3.43 3.84 -0.56 3.43 1.01 -1.21 -4.82 120.40 118.65 3i5k s VAL 564 Ca 0.71 1.22 -0.28 0.00 0.00 0.00 0.00 61.98 63.63 3i5k s VAL 564 Cb -0.04 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.59 3i5k s VAL 564 CO 0.48 0.01 1.16 -0.44 0.00 0.00 0.00 175.10 176.31 3i5k s SER 565 N 1.68 6.47 0.00 3.32 0.01 -1.26 -5.04 113.70 118.87 3i5k s SER 565 Ca 0.62 0.12 0.18 0.00 1.31 0.00 0.00 55.95 58.18 3i5k s SER 565 Cb -0.30 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.53 3i5k s SER 565 CO 0.26 -1.42 1.08 0.55 0.41 0.00 0.00 173.24 174.12