#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbd h VAL 49 N 0.00 1.03 -0.20 0.44 2.07 -1.88 -1.56 116.25 116.15 3hbd h VAL 49 Ca 0.00 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.36 3hbd h VAL 49 Cb 0.00 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3hbd h VAL 49 CO 0.00 0.12 0.22 1.23 0.02 0.00 0.00 177.57 179.16 3hbd h GLY 50 N 0.64 0.00 1.94 2.17 0.00 -1.96 0.53 103.07 106.39 3hbd h GLY 50 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.46 3hbd h GLY 50 CO -0.08 0.00 -0.61 -1.33 0.00 0.00 0.00 176.54 174.53 3hbd h GLY 51 N 0.00 0.06 0.44 4.60 0.00 -1.73 -3.32 103.07 103.12 3hbd h GLY 51 Ca 0.10 -0.08 -0.36 0.00 0.00 0.00 0.00 47.33 46.98 3hbd h GLY 51 CO -0.00 0.07 -2.05 1.39 0.00 0.00 0.00 176.54 175.95 3hbd n ILE 52 N -3.83 1.71 -3.61 2.60 5.41 -0.39 -4.77 119.36 116.48 3hbd n ILE 52 Ca -0.01 -0.59 -0.40 0.00 1.00 0.00 0.00 62.75 62.75 3hbd n ILE 52 Cb 0.61 -1.70 -0.10 0.00 -0.71 0.00 0.00 39.64 37.74 3hbd n ILE 52 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hbd s ILE 53 N -2.54 4.06 0.71 1.39 -1.09 0.04 -5.06 121.20 118.70 3hbd s ILE 53 Ca -0.26 -1.67 -0.11 0.00 -2.23 0.00 0.00 60.65 56.38 3hbd s ILE 53 Cb 0.07 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 3hbd s ILE 53 CO 0.72 -0.65 1.08 -0.94 -1.23 0.00 0.00 174.94 173.92 3hbd s SER 54 N 2.32 5.41 0.26 3.58 1.04 -1.26 -4.37 113.70 120.69 3hbd s SER 54 Ca 0.05 1.27 -0.01 0.00 0.48 0.00 0.00 55.95 57.73 3hbd s SER 54 Cb -0.24 -2.11 0.47 0.00 0.10 0.00 0.00 66.02 64.23 3hbd s SER 54 CO -0.00 -1.38 1.83 -0.61 0.98 0.00 0.00 173.24 174.06 3hbd h GLN 55 N -0.68 0.92 -0.37 4.02 5.75 -1.98 -0.98 115.11 121.79 3hbd h GLN 55 Ca -0.45 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 3hbd h GLN 55 Cb 1.24 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 3hbd h GLN 55 CO 0.62 0.61 0.22 1.03 -2.65 0.00 0.00 178.83 178.66 3hbd h SER 56 N 0.95 0.44 -0.20 -0.69 0.87 -1.99 -0.11 113.55 112.83 3hbd h SER 56 Ca 0.45 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3hbd h SER 56 Cb 0.39 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3hbd h SER 56 CO -0.24 0.37 0.11 0.15 -0.53 0.00 0.00 176.83 176.68 3hbd h PHE 57 N 0.48 0.27 -0.13 2.24 3.57 -1.77 -1.35 116.94 120.25 3hbd h PHE 57 Ca 0.13 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3hbd h PHE 57 Cb 0.01 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3hbd h PHE 57 CO -0.04 0.24 0.08 0.35 -2.23 0.00 0.00 178.31 176.71 3hbd h PHE 58 N 0.22 0.18 -0.44 0.41 3.57 -0.96 -2.11 116.94 117.81 3hbd h PHE 58 Ca 0.07 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3hbd h PHE 58 Cb 0.06 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3hbd h PHE 58 CO -0.04 0.17 0.29 -0.91 -2.23 0.00 0.00 178.31 175.60 3hbd h ASN 59 N 0.13 0.31 -0.40 0.41 2.35 -0.90 0.11 115.58 117.58 3hbd h ASN 59 Ca 0.05 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3hbd h ASN 59 Cb 0.05 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 3hbd h ASN 59 CO -0.01 0.20 0.14 1.23 -1.65 0.00 0.00 177.43 177.35 3hbd h GLY 60 N 0.35 0.51 0.70 2.83 0.00 -0.58 0.13 103.07 107.02 3hbd h GLY 60 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3hbd h GLY 60 CO -0.04 0.03 -0.03 1.41 0.00 0.00 0.00 176.54 177.91 3hbd h LEU 61 N 0.31 -0.06 -1.10 3.11 3.38 -0.87 -3.31 115.31 116.76 3hbd h LEU 61 Ca 0.18 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3hbd h LEU 61 Cb 0.16 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hbd h LEU 61 CO -0.18 0.25 -0.39 0.00 0.09 0.00 0.00 178.44 178.21 3hbd h ALA 62 N 0.55 1.12 -0.00 1.53 0.00 -0.74 -3.24 119.26 118.49 3hbd h ALA 62 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hbd h ALA 62 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hbd h ALA 62 CO 0.01 0.48 -0.09 0.41 0.00 0.00 0.00 179.25 180.06 3hbd n GLY 63 N -0.05 -1.33 0.16 0.00 0.00 0.46 -3.22 105.19 101.20 3hbd n GLY 63 Ca -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.86 3hbd n GLY 63 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hbd h GLY 64 N 4.99 0.00 -4.15 -0.02 0.00 -1.69 -3.46 103.07 98.75 3hbd h GLY 64 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3hbd h GLY 64 CO 0.00 0.00 0.54 0.00 0.00 0.00 0.00 176.54 177.08 3hbd n ALA 65 N -2.38 1.44 -1.66 3.60 0.00 -1.20 -4.96 120.51 115.34 3hbd n ALA 65 Ca -0.01 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.39 3hbd n ALA 65 Cb 0.55 -2.28 0.02 0.00 0.00 0.00 0.00 19.45 17.75 3hbd n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hbd n ALA 66 N 0.36 0.76 0.26 0.00 0.00 -1.26 -4.89 120.51 115.75 3hbd n ALA 66 Ca 0.04 0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.78 3hbd n ALA 66 Cb 0.36 -2.19 0.72 0.00 0.00 0.00 0.00 19.45 18.34 3hbd n ALA 66 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hbd h SER 67 N 1.52 0.00 0.15 0.00 4.64 -1.95 -1.83 113.55 116.08 3hbd h SER 67 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hbd h SER 67 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3hbd h SER 67 CO 0.57 0.08 0.00 -1.54 -0.87 0.00 0.00 176.83 175.06 3hbd n SER 68 N -4.03 0.00 -4.76 4.97 3.41 -1.26 -4.84 113.62 107.10 3hbd n SER 68 Ca -0.03 -0.57 -0.40 0.00 -0.26 0.00 0.00 58.87 57.61 3hbd n SER 68 Cb 0.16 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 3hbd n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hbd h GLU 70 N 3.67 0.23 0.00 0.00 4.11 -1.83 -2.85 114.58 117.90 3hbd h GLU 70 Ca -0.48 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 58.89 3hbd h GLU 70 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3hbd h GLU 70 CO 0.66 0.24 -0.18 0.78 0.07 0.00 0.00 179.01 180.59 3hbd h GLY 71 N 0.45 0.00 -5.84 1.06 0.00 -1.02 -3.40 103.07 94.32 3hbd h GLY 71 Ca 0.06 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.83 3hbd h GLY 71 CO 0.00 0.00 1.17 1.25 0.00 0.00 0.00 176.54 178.96 3hbd s LYS 72 N -3.80 3.87 0.00 4.80 2.47 -1.08 -0.62 119.74 125.38 3hbd s LYS 72 Ca -0.00 1.97 0.00 0.00 -1.56 0.00 0.00 55.97 56.38 3hbd s LYS 72 Cb 0.11 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.40 3hbd s LYS 72 CO 0.61 -1.22 0.00 0.41 0.16 0.00 0.00 175.35 175.32 3hbd n GLY 73 N 4.62 1.50 0.13 5.54 0.00 -1.26 -4.86 105.19 110.86 3hbd n GLY 73 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 3hbd n GLY 73 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hbd n PHE 74 N -2.00 0.31 -2.42 1.61 7.35 0.21 -4.76 117.46 117.77 3hbd n PHE 74 Ca 0.00 0.14 -0.41 0.00 -0.76 0.00 0.00 57.45 56.42 3hbd n PHE 74 Cb 0.00 -1.02 -0.03 0.00 0.35 0.00 0.00 39.48 38.78 3hbd n PHE 74 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3hbd s TYR 75 N -2.47 2.17 0.18 -5.13 2.02 -0.39 -4.67 117.35 109.06 3hbd s TYR 75 Ca -0.35 0.24 0.11 0.00 -0.37 0.00 0.00 57.07 56.70 3hbd s TYR 75 Cb 0.12 -4.47 -0.04 0.00 -0.40 0.00 0.00 41.96 37.17 3hbd s TYR 75 CO 0.52 -2.08 -0.23 0.95 -1.57 0.00 0.00 175.55 173.13 3hbd s THR 76 N 6.45 2.42 0.26 -0.71 -4.23 -1.26 -4.95 115.64 113.62 3hbd s THR 76 Ca 0.45 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 3hbd s THR 76 Cb -0.09 -2.15 0.26 0.00 1.34 0.00 0.00 72.50 71.85 3hbd s THR 76 CO 0.19 -0.09 1.93 0.22 -0.54 0.00 0.00 174.62 176.33 3hbd h TYR 77 N 3.27 1.24 -0.54 3.99 3.20 -1.95 -2.08 116.97 124.09 3hbd h TYR 77 Ca -0.47 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.46 3hbd h TYR 77 Cb 1.20 -0.42 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 3hbd h TYR 77 CO 0.67 0.78 0.31 -0.91 -1.64 0.00 0.00 178.16 177.38 3hbd h ASN 78 N 1.34 0.49 -0.41 -2.11 2.35 -1.99 -0.37 115.58 114.87 3hbd h ASN 78 Ca 0.36 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 56.03 3hbd h ASN 78 Cb -0.15 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3hbd h ASN 78 CO -0.08 0.34 -0.08 0.00 -1.65 0.00 0.00 177.43 175.96 3hbd h ALA 79 N 1.25 0.57 0.10 -0.83 0.00 -1.83 -1.56 119.26 116.96 3hbd h ALA 79 Ca 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hbd h ALA 79 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hbd h ALA 79 CO -0.11 0.43 -0.05 0.35 0.00 0.00 0.00 179.25 179.86 3hbd h PHE 80 N 0.61 -0.12 -0.67 0.00 3.57 -1.08 0.03 116.94 119.28 3hbd h PHE 80 Ca 0.11 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3hbd h PHE 80 Cb 0.60 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 3hbd h PHE 80 CO 0.05 -0.07 0.29 0.82 -2.23 0.00 0.00 178.31 177.16 3hbd h ILE 81 N -0.14 1.24 -0.40 1.41 1.08 -1.01 0.16 117.51 119.84 3hbd h ILE 81 Ca -0.01 -0.71 0.06 0.00 -0.39 0.00 0.00 64.86 63.80 3hbd h ILE 81 Cb 0.11 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.27 3hbd h ILE 81 CO 0.02 0.29 0.10 0.00 -0.69 0.00 0.00 178.15 177.87 3hbd h ALA 82 N 1.13 0.44 -0.46 1.87 0.00 -1.15 -1.13 119.26 119.95 3hbd h ALA 82 Ca 0.23 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3hbd h ALA 82 Cb 0.18 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hbd h ALA 82 CO -0.02 -0.30 0.08 0.00 0.00 0.00 0.00 179.25 179.01 3hbd h ALA 83 N 1.28 0.62 -0.84 0.00 0.00 -0.31 -2.80 119.26 117.21 3hbd h ALA 83 Ca 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hbd h ALA 83 Cb 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hbd h ALA 83 CO -0.23 0.33 0.39 0.00 0.00 0.00 0.00 179.25 179.75 3hbd h ALA 84 N 0.96 1.08 0.00 0.00 0.00 -0.45 -2.45 119.26 118.40 3hbd h ALA 84 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hbd h ALA 84 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hbd h ALA 84 CO 0.01 0.65 0.00 -0.91 0.00 0.00 0.00 179.25 179.00 3hbd h ASN 85 N 1.19 0.00 1.32 0.00 4.21 -1.09 -3.08 115.58 118.13 3hbd h ASN 85 Ca 0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.80 3hbd h ASN 85 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 3hbd h ASN 85 CO -0.03 0.00 -0.00 0.00 -1.29 0.00 0.00 177.43 176.10 3hbd n ALA 86 N -1.89 2.30 -3.98 -0.83 0.00 -0.92 -4.65 120.51 110.53 3hbd n ALA 86 Ca 0.03 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 3hbd n ALA 86 Cb 0.34 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.17 3hbd n ALA 86 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hbd s TYR 87 N -3.07 3.51 -0.14 0.00 1.51 -1.17 -5.10 117.35 112.90 3hbd s TYR 87 Ca 0.12 -2.89 -0.40 0.00 -1.01 0.00 0.00 57.07 52.89 3hbd s TYR 87 Cb 0.14 -2.79 -0.17 0.00 -0.11 0.00 0.00 41.96 39.03 3hbd s TYR 87 CO 0.58 -0.93 1.52 0.43 -1.11 0.00 0.00 175.55 176.03 3hbd n SER 88 N 4.23 1.76 0.00 2.29 7.64 -1.26 -1.86 113.62 126.41 3hbd n SER 88 Ca 0.04 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3hbd n SER 88 Cb 0.41 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 3hbd n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hbd n GLY 89 N 3.29 2.89 3.61 0.23 0.00 -1.26 -5.03 105.19 108.92 3hbd n GLY 89 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3hbd n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hbd s PHE 90 N -2.56 1.76 -1.09 1.61 5.36 -0.78 -2.44 117.98 119.84 3hbd s PHE 90 Ca 0.00 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3hbd s PHE 90 Cb 0.00 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 3hbd s PHE 90 CO 0.00 -3.21 0.00 0.41 -1.46 0.00 0.00 175.22 170.96 3hbd n GLY 91 N 5.29 1.08 0.07 13.12 0.00 -1.26 -4.80 105.19 118.69 3hbd n GLY 91 Ca 0.23 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3hbd n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hbd n THR 92 N -2.42 0.77 -3.79 2.61 -2.24 -1.02 -4.63 114.28 103.56 3hbd n THR 92 Ca -0.10 -0.84 -0.36 0.00 -2.27 0.00 0.00 64.05 60.48 3hbd n THR 92 Cb 0.48 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 3hbd n THR 92 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hbd s THR 93 N -0.94 5.02 0.00 4.28 2.01 -1.18 -4.88 115.64 119.95 3hbd s THR 93 Ca 0.06 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.11 3hbd s THR 93 Cb 0.05 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3hbd s THR 93 CO 0.01 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 3hbd n GLY 94 N 4.13 -2.05 3.68 4.40 0.00 -1.26 -3.78 105.19 110.31 3hbd n GLY 94 Ca -0.16 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 3hbd n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hbd s SER 95 N -3.73 2.70 0.27 1.61 1.04 -1.26 -4.66 113.70 109.67 3hbd s SER 95 Ca 0.00 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.62 3hbd s SER 95 Cb 0.00 -1.85 0.60 0.00 0.10 0.00 0.00 66.02 64.87 3hbd s SER 95 CO 0.00 -3.09 1.72 0.78 0.98 0.00 0.00 173.24 173.64 3hbd h ASN 96 N -1.86 0.36 -0.27 7.02 2.35 -1.99 -0.54 115.58 120.64 3hbd h ASN 96 Ca -0.54 0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.23 3hbd h ASN 96 Cb 1.33 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.77 3hbd h ASN 96 CO 0.58 0.08 -0.19 0.44 -1.65 0.00 0.00 177.43 176.69 3hbd h ASP 97 N 0.47 0.74 -0.26 5.81 3.32 -1.97 -1.01 116.42 123.51 3hbd h ASP 97 Ca 0.49 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3hbd h ASP 97 Cb 0.83 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3hbd h ASP 97 CO -0.45 0.92 0.13 0.58 -1.72 0.00 0.00 179.24 178.70 3hbd h VAL 98 N 0.65 1.13 -0.51 -1.35 2.07 -1.54 -0.66 116.25 116.04 3hbd h VAL 98 Ca 0.10 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3hbd h VAL 98 Cb 0.68 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3hbd h VAL 98 CO 0.05 0.13 0.24 0.11 0.02 0.00 0.00 177.57 178.12 3hbd h LYS 99 N 0.29 0.73 -0.59 1.57 1.57 -1.02 -0.67 116.57 118.45 3hbd h LYS 99 Ca 0.09 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3hbd h LYS 99 Cb 0.08 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3hbd h LYS 99 CO -0.01 0.61 0.27 0.87 -0.57 0.00 0.00 179.45 180.62 3hbd h LYS 100 N 0.67 0.87 -0.48 3.15 1.57 -1.04 -1.68 116.57 119.63 3hbd h LYS 100 Ca 0.17 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3hbd h LYS 100 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3hbd h LYS 100 CO -0.02 0.71 -0.04 0.00 -0.57 0.00 0.00 179.45 179.53 3hbd h ARG 101 N 0.81 0.83 -0.30 3.15 3.08 -0.91 0.51 114.38 121.55 3hbd h ARG 101 Ca 0.20 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hbd h ARG 101 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3hbd h ARG 101 CO -0.02 0.86 0.13 1.49 -1.07 0.00 0.00 179.97 181.35 3hbd h GLU 102 N 0.76 0.45 -0.51 0.04 4.81 -0.87 -0.80 114.58 118.46 3hbd h GLU 102 Ca 0.14 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3hbd h GLU 102 Cb 0.52 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3hbd h GLU 102 CO 0.03 0.45 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.68 3hbd h LEU 103 N 0.34 0.90 -0.97 1.64 3.38 -1.17 -0.15 115.31 119.27 3hbd h LEU 103 Ca 0.10 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3hbd h LEU 103 Cb 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3hbd h LEU 103 CO -0.01 0.99 0.52 0.00 0.09 0.00 0.00 178.44 180.03 3hbd h ALA 104 N 0.94 1.22 -0.51 1.53 0.00 -0.80 -0.44 119.26 121.19 3hbd h ALA 104 Ca 0.14 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hbd h ALA 104 Cb 0.54 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hbd h ALA 104 CO 0.03 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.85 3hbd h ALA 105 N 1.32 0.70 0.23 0.00 0.00 -0.82 0.27 119.26 120.97 3hbd h ALA 105 Ca 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hbd h ALA 105 Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hbd h ALA 105 CO -0.06 0.58 -0.11 0.35 0.00 0.00 0.00 179.25 180.01 3hbd h PHE 106 N 0.82 -0.29 -0.32 0.00 3.57 -0.72 -2.42 116.94 117.57 3hbd h PHE 106 Ca 0.13 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3hbd h PHE 106 Cb 0.63 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3hbd h PHE 106 CO 0.05 -0.16 -0.18 0.74 -2.23 0.00 0.00 178.31 176.53 3hbd h PHE 107 N -0.34 0.65 -0.49 0.41 -1.00 -0.96 -0.87 116.94 114.35 3hbd h PHE 107 Ca -0.03 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.62 3hbd h PHE 107 Cb 0.26 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 3hbd h PHE 107 CO -0.05 0.73 0.27 0.00 -1.61 0.00 0.00 178.31 177.65 3hbd h ALA 108 N 1.28 0.63 -0.61 2.45 0.00 -0.36 0.18 119.26 122.83 3hbd h ALA 108 Ca 0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hbd h ALA 108 Cb 0.61 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hbd h ALA 108 CO 0.04 0.14 0.06 -0.91 0.00 0.00 0.00 179.25 178.58 3hbd h ASN 109 N 0.65 1.00 -0.38 0.00 2.35 -1.18 -1.70 115.58 116.32 3hbd h ASN 109 Ca 0.17 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3hbd h ASN 109 Cb 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3hbd h ASN 109 CO -0.03 1.03 0.24 0.58 -1.65 0.00 0.00 177.43 177.60 3hbd h VAL 110 N 0.93 1.07 -0.82 2.81 2.07 -0.84 -1.36 116.25 120.12 3hbd h VAL 110 Ca 0.18 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3hbd h VAL 110 Cb 0.48 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3hbd h VAL 110 CO 0.02 0.09 0.43 0.24 0.02 0.00 0.00 177.57 178.37 3hbd h MET 111 N 0.49 1.14 0.23 1.57 2.86 -0.51 -1.13 114.93 119.58 3hbd h MET 111 Ca 0.15 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3hbd h MET 111 Cb -0.03 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.41 3hbd h MET 111 CO -0.05 0.84 -0.11 1.25 1.06 0.00 0.00 176.91 179.90 3hbd h HIS 112 N 1.14 -0.29 -0.23 -0.22 6.17 -1.07 0.20 115.15 120.86 3hbd h HIS 112 Ca 0.29 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.34 3hbd h HIS 112 Cb 0.04 0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 3hbd h HIS 112 CO 0.01 -0.01 0.06 0.93 0.71 0.00 0.00 177.93 179.63 3hbd h GLU 113 N -0.56 0.33 -0.35 5.26 4.39 -0.93 -2.91 114.58 119.81 3hbd h GLU 113 Ca -0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3hbd h GLU 113 Cb 0.41 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3hbd h GLU 113 CO 0.05 0.31 0.00 0.25 -1.16 0.00 0.00 179.01 178.46 3hbd n THR 114 N -4.40 0.58 -3.46 1.13 -2.24 -0.46 -4.88 114.28 100.56 3hbd n THR 114 Ca 0.00 -0.79 -0.20 0.00 -2.27 0.00 0.00 64.05 60.79 3hbd n THR 114 Cb 0.15 0.88 0.08 0.00 -2.10 0.00 0.00 70.33 69.34 3hbd n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hbd n GLY 115 N 1.15 -0.39 1.45 3.38 0.00 -0.82 -1.10 105.19 108.87 3hbd n GLY 115 Ca 0.16 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 3hbd n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbd n GLY 116 N -1.64 0.49 2.70 -0.02 0.00 0.65 -3.67 105.19 103.69 3hbd n GLY 116 Ca -0.09 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 3hbd n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbd n LEU 117 N -1.26 -2.19 -0.01 0.99 4.77 -1.22 -4.22 117.00 113.85 3hbd n LEU 117 Ca -0.02 -0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.61 3hbd n LEU 117 Cb 0.52 -2.88 -0.13 0.00 -2.33 0.00 0.00 43.42 38.59 3hbd n LEU 117 CO 0.08 -0.01 -0.67 0.00 -1.33 0.00 0.00 177.39 175.46 3hbd s TYR 119 N -2.50 3.11 -0.22 0.00 1.51 -0.26 -0.56 117.35 118.43 3hbd s TYR 119 Ca -0.23 0.14 -0.17 0.00 -1.01 0.00 0.00 57.07 55.80 3hbd s TYR 119 Cb 0.06 -1.78 -0.18 0.00 -0.11 0.00 0.00 41.96 39.95 3hbd s TYR 119 CO 0.73 0.42 0.04 -0.89 -1.11 0.00 0.00 175.55 174.74 3hbd n ILE 120 N 2.23 1.56 -4.20 2.71 5.41 -1.26 -4.75 119.36 121.06 3hbd n ILE 120 Ca -0.18 -0.23 -0.35 0.00 1.00 0.00 0.00 62.75 62.98 3hbd n ILE 120 Cb 0.53 -1.93 -0.09 0.00 -0.71 0.00 0.00 39.64 37.45 3hbd n ILE 120 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3hbd s ASN 121 N -7.05 5.59 0.14 4.38 0.01 -1.26 -1.16 114.94 115.58 3hbd s ASN 121 Ca -0.31 0.22 -0.34 0.00 -0.71 0.00 0.00 52.86 51.72 3hbd s ASN 121 Cb 0.09 -1.70 -0.17 0.00 0.41 0.00 0.00 41.25 39.88 3hbd s ASN 121 CO 0.58 0.36 1.07 1.21 -1.51 0.00 0.00 177.10 178.81 3hbd n GLU 122 N 2.30 0.81 -2.48 -0.60 2.13 -0.32 -4.91 120.64 117.57 3hbd n GLU 122 Ca -0.19 0.29 -0.42 0.00 0.66 0.00 0.00 57.16 57.50 3hbd n GLU 122 Cb 0.54 -1.73 -0.03 0.00 0.27 0.00 0.00 31.44 30.49 3hbd n GLU 122 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3hbd s LYS 123 N -0.36 4.38 -1.11 5.31 1.02 -1.26 -4.15 119.74 123.57 3hbd s LYS 123 Ca 0.76 1.67 -0.24 0.00 0.02 0.00 0.00 55.97 58.17 3hbd s LYS 123 Cb -0.94 -3.51 0.02 0.00 -0.52 0.00 0.00 37.83 32.89 3hbd s LYS 123 CO 0.53 -0.38 0.70 0.09 -0.92 0.00 0.00 175.35 175.37 3hbd n ASN 124 N 4.84 -4.67 -4.74 2.83 3.02 -1.26 -4.82 115.26 110.46 3hbd n ASN 124 Ca 0.10 -1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 53.09 3hbd n ASN 124 Cb 0.47 -2.17 -0.02 0.00 -0.61 0.00 0.00 39.78 37.45 3hbd n ASN 124 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hbd s PRO 125 N -6.52 4.16 0.47 3.52 0.04 -1.26 -4.89 135.00 130.53 3hbd s PRO 125 Ca 0.39 2.50 0.27 0.00 0.04 0.00 0.00 61.00 64.20 3hbd s PRO 125 Cb -0.19 -3.07 0.75 0.00 0.04 0.00 0.00 34.50 32.03 3hbd s PRO 125 CO 0.93 -0.62 1.76 -1.00 0.04 0.00 0.00 177.00 178.10 3hbd h PRO 126 N 5.62 0.00 -4.38 0.56 0.13 -1.98 -3.47 132.00 128.48 3hbd h PRO 126 Ca -0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 3hbd h PRO 126 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 3hbd h PRO 126 CO 0.85 0.00 -0.42 0.96 -0.23 0.00 0.00 178.00 179.15 3hbd s ILE 127 N -3.38 0.00 -0.95 -3.56 -4.36 -1.26 -5.05 121.20 102.64 3hbd s ILE 127 Ca 0.05 -1.81 0.28 0.00 -0.26 0.00 0.00 60.65 58.91 3hbd s ILE 127 Cb 0.07 -2.47 0.24 0.00 1.25 0.00 0.00 42.46 41.55 3hbd s ILE 127 CO 0.62 0.00 1.87 0.59 0.24 0.00 0.00 174.94 178.26 3hbd n ASN 128 N -0.73 0.18 -3.30 4.36 3.02 -1.26 -4.72 115.26 112.81 3hbd n ASN 128 Ca 0.02 0.48 -0.17 0.00 -0.03 0.00 0.00 54.58 54.88 3hbd n ASN 128 Cb 0.64 -0.52 0.08 0.00 -0.61 0.00 0.00 39.78 39.37 3hbd n ASN 128 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hbd n TYR 129 N -1.65 -2.19 -3.80 3.10 4.02 -1.26 0.24 117.16 115.62 3hbd n TYR 129 Ca 0.07 0.90 -0.37 0.00 -0.01 0.00 0.00 57.90 58.48 3hbd n TYR 129 Cb 0.36 -4.87 -0.13 0.00 -0.02 0.00 0.00 39.34 34.68 3hbd n TYR 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hbd s GLN 131 N 1.42 3.26 0.26 0.00 0.74 -1.26 -5.03 119.66 119.05 3hbd s GLN 131 Ca -0.00 -0.77 -0.30 0.00 0.05 0.00 0.00 55.36 54.34 3hbd s GLN 131 Cb -0.18 -3.58 -0.14 0.00 1.10 0.00 0.00 33.01 30.21 3hbd s GLN 131 CO 0.01 -0.45 1.25 -1.13 -0.55 0.00 0.00 175.29 174.42 3hbd n SER 132 N 4.98 2.18 -3.69 6.67 3.41 -1.26 -4.79 113.62 121.11 3hbd n SER 132 Ca -0.14 1.16 -0.14 0.00 -0.26 0.00 0.00 58.87 59.50 3hbd n SER 132 Cb 0.49 -1.37 -0.09 0.00 -0.26 0.00 0.00 64.21 62.98 3hbd n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hbd s SER 133 N -0.06 -0.55 0.35 4.04 0.15 -1.26 -5.03 113.70 111.34 3hbd s SER 133 Ca 0.64 1.04 0.23 0.00 0.70 0.00 0.00 55.95 58.56 3hbd s SER 133 Cb -0.68 1.05 0.30 0.00 -1.71 0.00 0.00 66.02 64.98 3hbd s SER 133 CO 0.55 -0.20 1.48 0.77 1.20 0.00 0.00 173.24 177.04 3hbd h SER 134 N 5.22 0.00 0.12 5.45 4.64 -2.00 -3.25 113.55 123.72 3hbd h SER 134 Ca -0.28 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 60.74 3hbd h SER 134 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3hbd h SER 134 CO 0.18 0.00 -1.54 0.74 -0.87 0.00 0.00 176.83 175.34 3hbd h THR 135 N 0.00 0.94 -2.18 2.95 2.02 -1.99 -3.42 112.91 111.23 3hbd h THR 135 Ca 0.00 -2.38 -0.58 0.00 0.77 0.00 0.00 66.41 64.21 3hbd h THR 135 Cb 0.97 2.64 -0.41 0.00 -1.74 0.00 0.00 68.15 69.61 3hbd h THR 135 CO 0.00 0.73 -0.83 0.79 0.37 0.00 0.00 175.52 176.58 3hbd n TRP 136 N -3.85 1.68 -1.86 3.16 7.02 -1.26 -5.10 117.44 117.23 3hbd n TRP 136 Ca -0.27 -3.87 -0.41 0.00 -1.02 0.00 0.00 57.50 51.93 3hbd n TRP 136 Cb 0.93 -0.43 -0.02 0.00 -2.42 0.00 0.00 31.31 29.37 3hbd n TRP 136 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3hbd s PRO 137 N -1.72 4.17 0.36 -0.99 0.04 -1.22 -4.55 135.00 131.08 3hbd s PRO 137 Ca 0.37 2.48 -0.27 0.00 0.04 0.00 0.00 61.00 63.61 3hbd s PRO 137 Cb 0.14 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 3hbd s PRO 137 CO -0.07 -0.57 1.23 0.00 0.04 0.00 0.00 177.00 177.63 3hbd s THR 139 N -1.25 5.11 0.21 0.00 2.01 -1.26 -5.03 115.64 115.43 3hbd s THR 139 Ca 0.52 1.06 -0.32 0.00 0.31 0.00 0.00 61.69 63.26 3hbd s THR 139 Cb -0.35 -3.88 -0.14 0.00 0.01 0.00 0.00 72.50 68.14 3hbd s THR 139 CO 0.46 0.22 1.38 -0.24 -0.69 0.00 0.00 174.62 175.75 3hbd n SER 140 N 4.34 2.47 0.00 3.53 2.88 -1.26 -1.90 113.62 123.68 3hbd n SER 140 Ca -0.04 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 3hbd n SER 140 Cb 0.51 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 3hbd n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hbd n GLY 141 N 2.32 0.78 3.76 0.46 0.00 -1.26 -5.03 105.19 106.22 3hbd n GLY 141 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3hbd n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbd s LYS 142 N -0.25 2.81 -0.07 1.61 -0.14 -0.80 -5.12 119.74 117.78 3hbd s LYS 142 Ca 0.00 -0.76 0.05 0.00 -1.36 0.00 0.00 55.97 53.90 3hbd s LYS 142 Cb 0.00 -2.67 -0.01 0.00 -1.68 0.00 0.00 37.83 33.48 3hbd s LYS 142 CO 0.00 0.54 -0.24 0.45 -0.76 0.00 0.00 175.35 175.34 3hbd s SER 143 N -2.52 3.09 -0.51 2.83 0.15 -1.26 -4.90 113.70 110.58 3hbd s SER 143 Ca 0.29 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.43 3hbd s SER 143 Cb -0.12 -1.07 0.51 0.00 -1.71 0.00 0.00 66.02 63.64 3hbd s SER 143 CO 0.21 0.21 1.81 -1.22 1.20 0.00 0.00 173.24 175.46 3hbd n TYR 144 N 3.17 2.84 -1.13 3.44 4.01 0.14 -4.83 117.16 124.79 3hbd n TYR 144 Ca -0.18 -2.44 -0.29 0.00 -0.16 0.00 0.00 57.90 54.82 3hbd n TYR 144 Cb 0.52 -1.05 0.16 0.00 -0.31 0.00 0.00 39.34 38.66 3hbd n TYR 144 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3hbd s HIS 145 N -3.59 2.17 0.16 -0.72 -3.43 -1.26 -0.77 115.29 107.85 3hbd s HIS 145 Ca 0.58 1.20 -0.33 0.00 -0.80 0.00 0.00 55.06 55.71 3hbd s HIS 145 Cb 0.47 -3.19 -0.13 0.00 -1.43 0.00 0.00 32.58 28.31 3hbd s HIS 145 CO 0.03 -2.64 1.68 0.41 -2.00 0.00 0.00 174.74 172.21 3hbd n GLY 146 N -0.94 1.35 3.02 -1.38 0.00 -1.25 -4.63 105.19 101.37 3hbd n GLY 146 Ca 0.06 0.66 -0.14 0.00 0.00 0.00 0.00 46.02 46.61 3hbd n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hbd s ARG 147 N 1.37 0.47 0.09 1.61 0.52 -0.81 -1.17 118.95 121.04 3hbd s ARG 147 Ca 0.79 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 3hbd s ARG 147 Cb -0.60 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 34.56 3hbd s ARG 147 CO 0.36 0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.16 3hbd n GLY 148 N 2.04 -2.86 0.32 -3.53 0.00 -0.31 -1.89 105.19 98.96 3hbd n GLY 148 Ca -0.19 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.22 3hbd n GLY 148 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hbd h PRO 149 N 0.00 0.16 -0.10 1.61 0.11 -1.90 -0.82 132.00 131.06 3hbd h PRO 149 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hbd h PRO 149 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3hbd h PRO 149 CO 0.00 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.17 3hbd n LEU 150 N -4.47 2.90 -3.68 2.35 4.77 -1.26 -4.39 117.00 113.22 3hbd n LEU 150 Ca 0.04 -2.98 -0.27 0.00 -0.03 0.00 0.00 56.01 52.78 3hbd n LEU 150 Cb 0.29 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3hbd n LEU 150 CO 0.35 0.69 -0.08 0.00 -1.33 0.00 0.00 177.39 177.01 3hbd n GLN 151 N -1.00 -2.42 -1.66 3.23 1.13 -0.31 -4.86 117.38 111.49 3hbd n GLN 151 Ca 0.17 0.53 -0.54 0.00 -1.94 0.00 0.00 57.00 55.21 3hbd n GLN 151 Cb 0.70 -4.59 -0.06 0.00 0.11 0.00 0.00 30.24 26.40 3hbd n GLN 151 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3hbd n LEU 152 N -4.13 2.15 -4.10 1.08 7.94 -0.79 -4.30 117.00 114.85 3hbd n LEU 152 Ca -0.17 1.09 -0.13 0.00 -1.11 0.00 0.00 56.01 55.69 3hbd n LEU 152 Cb 0.63 -1.18 -0.11 0.00 0.53 0.00 0.00 43.42 43.28 3hbd n LEU 152 CO 0.68 -0.67 -0.41 -0.44 -1.11 0.00 0.00 177.39 175.45 3hbd s SER 153 N 2.20 1.03 0.00 1.96 0.01 -1.26 -1.92 113.70 115.72 3hbd s SER 153 Ca 0.92 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.53 3hbd s SER 153 Cb -0.99 0.03 0.00 0.00 0.21 0.00 0.00 66.02 65.27 3hbd s SER 153 CO 0.56 -0.24 0.00 0.79 0.41 0.00 0.00 173.24 174.77 3hbd n TRP 154 N 1.14 0.00 -0.28 2.43 7.02 0.05 -4.37 117.44 123.43 3hbd n TRP 154 Ca -0.20 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.33 3hbd n TRP 154 Cb 0.56 -0.61 0.19 0.00 -2.42 0.00 0.00 31.31 29.02 3hbd n TRP 154 CO 0.00 0.00 0.00 -2.95 -2.02 0.00 0.00 177.69 172.72 3hbd h ASN 155 N 0.00 0.47 -0.86 -0.99 -1.07 -1.74 -1.30 115.58 110.08 3hbd h ASN 155 Ca 0.00 0.08 -0.03 0.00 0.07 0.00 0.00 56.30 56.43 3hbd h ASN 155 Cb 0.00 0.01 -0.04 0.00 -2.07 0.00 0.00 38.32 36.22 3hbd h ASN 155 CO 0.00 0.22 0.43 0.10 0.07 0.00 0.00 177.43 178.26 3hbd h TYR 156 N 0.59 1.23 -0.32 4.14 -0.00 -1.89 -0.20 116.97 120.53 3hbd h TYR 156 Ca 0.42 -0.05 -0.09 0.00 0.00 0.00 0.00 58.73 59.01 3hbd h TYR 156 Cb 0.56 -0.38 -0.01 0.00 0.00 0.00 0.00 36.73 36.89 3hbd h TYR 156 CO -0.11 0.87 -0.14 -0.91 -0.00 0.00 0.00 178.16 177.88 3hbd h ASN 157 N 1.22 0.67 -0.64 0.10 -0.26 -1.63 -2.67 115.58 112.38 3hbd h ASN 157 Ca 0.30 -0.40 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 3hbd h ASN 157 Cb 0.09 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.13 3hbd h ASN 157 CO -0.04 0.92 0.35 1.88 -1.06 0.00 0.00 177.43 179.48 3hbd h TYR 158 N 0.42 0.87 -0.06 1.19 -1.99 -0.96 -0.07 116.97 116.37 3hbd h TYR 158 Ca 0.07 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.80 3hbd h TYR 158 Cb 0.66 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.09 3hbd h TYR 158 CO 0.06 0.62 -0.05 0.78 -0.00 0.00 0.00 178.16 179.56 3hbd h GLY 159 N 0.87 -0.00 0.88 3.88 0.00 -1.05 -0.26 103.07 107.38 3hbd h GLY 159 Ca 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 3hbd h GLY 159 CO -0.04 -0.07 0.02 0.00 0.00 0.00 0.00 176.54 176.46 3hbd h ALA 160 N 0.98 0.38 -0.45 3.60 0.00 -1.34 -1.98 119.26 120.46 3hbd h ALA 160 Ca 0.04 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hbd h ALA 160 Cb 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3hbd h ALA 160 CO -0.10 0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.44 3hbd h ALA 161 N 0.85 0.55 -0.41 0.00 0.00 -0.95 -2.41 119.26 116.89 3hbd h ALA 161 Ca 0.08 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hbd h ALA 161 Cb 0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3hbd h ALA 161 CO 0.01 -0.19 0.17 0.78 0.00 0.00 0.00 179.25 180.02 3hbd h GLY 162 N 0.38 0.54 0.80 0.00 0.00 -0.83 -0.88 103.07 103.08 3hbd h GLY 162 Ca 0.20 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.46 3hbd h GLY 162 CO -0.18 0.06 0.43 1.70 0.00 0.00 0.00 176.54 178.55 3hbd h LYS 163 N 0.35 0.79 -0.31 4.80 3.64 -1.20 0.19 116.57 124.83 3hbd h LYS 163 Ca 0.18 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3hbd h LYS 163 Cb 0.13 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3hbd h LYS 163 CO -0.16 0.52 -0.02 1.03 -2.27 0.00 0.00 179.45 178.56 3hbd h SER 164 N 0.82 0.55 0.52 4.20 0.87 -1.03 -3.37 113.55 116.11 3hbd h SER 164 Ca 0.30 -0.32 -0.29 0.00 -1.23 0.00 0.00 61.79 60.24 3hbd h SER 164 Cb 0.08 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3hbd h SER 164 CO -0.14 0.74 -1.59 0.40 -0.53 0.00 0.00 176.83 175.72 3hbd h ILE 165 N 0.34 1.03 0.00 2.23 2.04 -1.04 -3.49 117.51 118.62 3hbd h ILE 165 Ca 0.08 -2.80 0.00 0.00 1.00 0.00 0.00 64.86 63.15 3hbd h ILE 165 Cb 0.47 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3hbd h ILE 165 CO 0.02 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.47 3hbd n GLY 166 N 1.60 1.19 3.23 5.37 0.00 0.61 -5.07 105.19 112.10 3hbd n GLY 166 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3hbd n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hbd s PHE 167 N -2.00 0.82 -0.80 1.61 -0.12 -0.89 -5.06 117.98 111.54 3hbd s PHE 167 Ca 0.00 -1.15 -0.21 0.00 -0.05 0.00 0.00 56.93 55.53 3hbd s PHE 167 Cb 0.00 -0.38 0.10 0.00 -0.63 0.00 0.00 43.02 42.11 3hbd s PHE 167 CO 0.00 -0.62 1.05 0.34 -0.05 0.00 0.00 175.22 175.94 3hbd s ASP 168 N -3.06 6.40 0.32 1.98 -1.08 -1.26 -4.10 116.67 115.87 3hbd s ASP 168 Ca 0.26 -1.53 0.03 0.00 -0.52 0.00 0.00 52.55 50.79 3hbd s ASP 168 Cb 0.06 -2.41 0.54 0.00 -1.46 0.00 0.00 42.92 39.66 3hbd s ASP 168 CO 0.05 -1.25 1.85 1.23 0.52 0.00 0.00 175.17 177.56 3hbd h GLY 169 N 10.88 0.61 1.19 2.66 0.00 -1.85 0.26 103.07 116.83 3hbd h GLY 169 Ca -0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 47.33 46.59 3hbd h GLY 169 CO 1.15 0.35 -1.28 1.41 0.00 0.00 0.00 176.54 178.17 3hbd h LEU 170 N 0.54 0.84 0.00 3.11 3.38 -1.90 -3.08 115.31 118.20 3hbd h LEU 170 Ca 0.11 -0.86 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 3hbd h LEU 170 Cb 0.37 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hbd h LEU 170 CO 0.01 1.63 -1.12 0.59 0.09 0.00 0.00 178.44 179.64 3hbd n ASN 171 N -3.80 0.79 -2.87 -0.43 3.02 -1.19 -4.35 115.26 106.43 3hbd n ASN 171 Ca -0.15 0.31 -0.17 0.00 -0.03 0.00 0.00 54.58 54.55 3hbd n ASN 171 Cb 1.01 0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 40.69 3hbd n ASN 171 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hbd n ASN 172 N -2.67 1.97 0.24 6.41 3.02 0.92 -4.90 115.26 120.23 3hbd n ASN 172 Ca -0.01 -3.06 0.08 0.00 -0.03 0.00 0.00 54.58 51.55 3hbd n ASN 172 Cb 0.59 -0.56 0.62 0.00 -0.61 0.00 0.00 39.78 39.82 3hbd n ASN 172 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3hbd h PRO 173 N 2.95 0.04 -0.00 3.52 0.13 -1.66 -1.86 132.00 135.11 3hbd h PRO 173 Ca 0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3hbd h PRO 173 Cb 0.99 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3hbd h PRO 173 CO 0.58 0.03 0.19 1.05 -0.23 0.00 0.00 178.00 179.62 3hbd h GLU 174 N 0.04 0.00 -0.59 0.86 4.11 -1.89 -2.02 114.58 115.09 3hbd h GLU 174 Ca 0.02 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.57 3hbd h GLU 174 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3hbd h GLU 174 CO -0.00 0.00 0.40 0.87 0.07 0.00 0.00 179.01 180.35 3hbd h LYS 175 N 0.00 0.26 0.00 1.06 1.79 -1.72 -0.87 116.57 117.09 3hbd h LYS 175 Ca 0.00 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 3hbd h LYS 175 Cb 0.38 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3hbd h LYS 175 CO -0.00 0.17 -0.18 0.28 -1.08 0.00 0.00 179.45 178.64 3hbd h VAL 176 N 0.27 0.77 -0.10 0.50 2.07 -1.59 -0.42 116.25 117.74 3hbd h VAL 176 Ca 0.28 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hbd h VAL 176 Cb 0.73 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3hbd h VAL 176 CO -0.06 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.32 3hbd n GLY 177 N -0.64 0.92 0.00 2.17 0.00 -0.37 -4.26 105.19 103.01 3hbd n GLY 177 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3hbd n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hbd n GLN 178 N 1.13 3.59 -3.87 1.61 6.02 -0.86 -4.98 117.38 120.02 3hbd n GLN 178 Ca 0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.79 3hbd n GLN 178 Cb 0.55 -0.95 -0.14 0.00 1.02 0.00 0.00 30.24 30.72 3hbd n GLN 178 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hbd s ASP 179 N -2.80 4.64 0.21 1.08 -1.08 -0.22 -5.02 116.67 113.47 3hbd s ASP 179 Ca 0.00 -0.68 -0.09 0.00 -0.52 0.00 0.00 52.55 51.26 3hbd s ASP 179 Cb 0.00 -1.77 0.28 0.00 -1.46 0.00 0.00 42.92 39.97 3hbd s ASP 179 CO 0.00 -0.12 1.78 0.28 0.52 0.00 0.00 175.17 177.62 3hbd h SER 180 N 8.12 0.41 -0.25 -0.34 0.02 -1.87 0.08 113.55 119.72 3hbd h SER 180 Ca -0.34 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 3hbd h SER 180 Cb 1.13 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 3hbd h SER 180 CO 0.59 0.25 -0.03 0.74 -1.14 0.00 0.00 176.83 177.23 3hbd h THR 181 N 0.55 1.27 -0.95 -2.27 2.02 -1.91 -1.18 112.91 110.45 3hbd h THR 181 Ca 0.31 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 66.52 3hbd h THR 181 Cb 0.31 1.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 3hbd h THR 181 CO -0.25 0.31 0.63 0.40 0.37 0.00 0.00 175.52 176.98 3hbd h ILE 182 N 0.22 1.21 0.34 3.11 2.04 -1.81 0.13 117.51 122.75 3hbd h ILE 182 Ca 0.07 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3hbd h ILE 182 Cb 0.48 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3hbd h ILE 182 CO 0.02 0.23 -0.19 -1.28 0.00 0.00 0.00 178.15 176.93 3hbd h SER 183 N 1.25 -0.45 -0.55 1.72 0.87 -0.66 -1.24 113.55 114.49 3hbd h SER 183 Ca 0.36 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.91 3hbd h SER 183 Cb -0.08 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 3hbd h SER 183 CO -0.10 -0.31 0.23 -0.26 -0.53 0.00 0.00 176.83 175.87 3hbd h PHE 184 N -0.49 0.87 -0.84 2.24 0.04 -1.05 -2.41 116.94 115.30 3hbd h PHE 184 Ca -0.04 -0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.72 3hbd h PHE 184 Cb 0.39 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 3hbd h PHE 184 CO -0.07 0.68 0.55 0.87 -0.60 0.00 0.00 178.31 179.74 3hbd h LYS 185 N 0.85 0.98 -0.25 1.51 1.57 -0.52 -1.73 116.57 118.98 3hbd h LYS 185 Ca 0.20 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3hbd h LYS 185 Cb 0.18 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hbd h LYS 185 CO -0.02 0.65 0.03 1.79 -0.57 0.00 0.00 179.45 181.33 3hbd h THR 186 N 1.01 1.14 0.01 -0.16 1.35 -0.72 0.14 112.91 115.68 3hbd h THR 186 Ca 0.35 -0.52 -0.06 0.00 -0.55 0.00 0.00 66.41 65.62 3hbd h THR 186 Cb 0.10 0.92 0.01 0.00 -1.73 0.00 0.00 68.15 67.44 3hbd h THR 186 CO -0.11 0.18 -0.26 0.00 -0.25 0.00 0.00 175.52 175.08 3hbd h ALA 187 N 1.68 0.02 -0.67 6.62 0.00 -1.32 -1.64 119.26 123.94 3hbd h ALA 187 Ca 0.09 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hbd h ALA 187 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hbd h ALA 187 CO 0.00 0.09 0.41 0.28 0.00 0.00 0.00 179.25 180.03 3hbd h VAL 188 N -0.55 1.20 -0.55 0.00 2.07 -1.23 -1.29 116.25 115.90 3hbd h VAL 188 Ca -0.03 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.12 3hbd h VAL 188 Cb 1.04 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3hbd h VAL 188 CO 0.05 0.20 0.24 -0.25 0.02 0.00 0.00 177.57 177.83 3hbd h TRP 189 N 0.92 0.42 -0.32 1.57 7.01 -0.76 -0.93 115.95 123.86 3hbd h TRP 189 Ca 0.24 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.23 3hbd h TRP 189 Cb -0.03 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 3hbd h TRP 189 CO -0.01 0.16 0.06 0.35 -2.79 0.00 0.00 178.44 176.21 3hbd h PHE 190 N 0.45 0.55 -0.76 2.65 3.04 -1.05 0.36 116.94 122.18 3hbd h PHE 190 Ca 0.26 -0.07 0.04 0.00 3.98 0.00 0.00 57.97 62.18 3hbd h PHE 190 Cb 0.26 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.56 3hbd h PHE 190 CO -0.14 0.59 0.47 2.35 -2.02 0.00 0.00 178.31 179.56 3hbd h TRP 191 N 0.36 0.88 0.05 0.41 2.91 -0.99 -2.38 115.95 117.19 3hbd h TRP 191 Ca 0.10 0.02 -0.35 0.00 1.13 0.00 0.00 58.89 59.79 3hbd h TRP 191 Cb 0.32 -0.29 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 3hbd h TRP 191 CO 0.02 0.49 -2.08 -1.33 -1.03 0.00 0.00 178.44 174.51 3hbd n MET 192 N -4.64 0.70 -0.00 2.65 2.81 -0.37 -2.25 117.12 116.00 3hbd n MET 192 Ca 0.09 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 3hbd n MET 192 Cb 0.11 -1.66 -0.01 0.00 -0.71 0.00 0.00 33.22 30.94 3hbd n MET 192 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hbd n LYS 193 N -3.23 1.02 -0.06 0.03 4.76 0.12 -4.78 118.16 116.02 3hbd n LYS 193 Ca -0.31 -0.01 0.06 0.00 -2.87 0.00 0.00 58.31 55.17 3hbd n LYS 193 Cb 1.05 -1.04 0.09 0.00 -1.84 0.00 0.00 35.03 33.29 3hbd n LYS 193 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3hbd n ASN 194 N -1.69 2.28 -3.73 4.39 4.05 -0.95 -5.01 115.26 114.61 3hbd n ASN 194 Ca -0.01 -2.62 -0.06 0.00 0.45 0.00 0.00 54.58 52.34 3hbd n ASN 194 Cb 0.17 -0.26 -0.01 0.00 1.23 0.00 0.00 39.78 40.92 3hbd n ASN 194 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3hbd s SER 195 N -2.03 -0.21 -0.00 1.20 1.04 -0.94 -4.96 113.70 107.80 3hbd s SER 195 Ca 0.19 -0.63 0.09 0.00 0.48 0.00 0.00 55.95 56.08 3hbd s SER 195 Cb 0.16 0.69 0.27 0.00 0.10 0.00 0.00 66.02 67.25 3hbd s SER 195 CO 0.02 -1.30 1.22 0.59 0.98 0.00 0.00 173.24 174.75 3hbd n ASN 196 N -0.58 1.67 0.14 7.02 3.02 -1.26 -4.59 115.26 120.67 3hbd n ASN 196 Ca -0.05 -2.01 -0.13 0.00 -0.03 0.00 0.00 54.58 52.36 3hbd n ASN 196 Cb 0.59 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 3hbd n ASN 196 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hbd h HIS 198 N -0.54 0.35 -0.78 0.00 -0.00 -1.70 -2.20 115.15 110.27 3hbd h HIS 198 Ca 0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.40 3hbd h HIS 198 Cb 0.55 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.81 3hbd h HIS 198 CO -0.24 0.28 0.51 0.66 -0.00 0.00 0.00 177.93 179.14 3hbd h SER 199 N 0.31 0.87 -0.38 3.26 4.64 -1.81 -2.09 113.55 118.34 3hbd h SER 199 Ca 0.09 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hbd h SER 199 Cb 0.05 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3hbd h SER 199 CO -0.02 0.62 0.23 0.00 -0.87 0.00 0.00 176.83 176.79 3hbd h ALA 200 N 1.30 0.48 0.00 5.18 0.00 -0.47 -1.93 119.26 123.82 3hbd h ALA 200 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hbd h ALA 200 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hbd h ALA 200 CO -0.08 -0.02 -0.06 1.51 0.00 0.00 0.00 179.25 180.60 3hbd n ILE 201 N -4.78 0.14 -0.44 0.00 0.13 -0.85 -1.60 119.36 111.96 3hbd n ILE 201 Ca -0.00 -0.07 0.06 0.00 -1.10 0.00 0.00 62.75 61.64 3hbd n ILE 201 Cb 0.06 -0.45 0.18 0.00 -0.84 0.00 0.00 39.64 38.59 3hbd n ILE 201 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3hbd n THR 202 N -1.68 1.42 -1.47 9.51 -2.24 -0.80 -4.47 114.28 114.55 3hbd n THR 202 Ca 0.06 -1.29 0.04 0.00 -2.27 0.00 0.00 64.05 60.59 3hbd n THR 202 Cb 0.36 0.26 0.05 0.00 -2.10 0.00 0.00 70.33 68.90 3hbd n THR 202 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hbd n SER 203 N 0.14 0.96 0.00 3.42 3.41 -0.74 -5.02 113.62 115.80 3hbd n SER 203 Ca 0.14 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 3hbd n SER 203 Cb 0.57 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3hbd n SER 203 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbd n GLY 204 N -0.55 0.68 0.03 5.00 0.00 -1.19 -4.92 105.19 104.24 3hbd n GLY 204 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3hbd n GLY 204 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hbd n GLN 205 N -2.60 0.08 -0.22 1.61 6.02 -0.62 -4.92 117.38 116.72 3hbd n GLN 205 Ca 0.00 0.07 0.03 0.00 -0.01 0.00 0.00 57.00 57.09 3hbd n GLN 205 Cb 0.00 -1.59 -0.01 0.00 1.02 0.00 0.00 30.24 29.66 3hbd n GLN 205 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hbd n GLY 206 N 1.42 -2.05 0.37 1.08 0.00 -1.23 -2.10 105.19 102.69 3hbd n GLY 206 Ca 0.07 -1.40 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 3hbd n GLY 206 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hbd h PHE 207 N -0.20 1.17 -0.17 1.61 3.57 -1.74 -1.35 116.94 119.83 3hbd h PHE 207 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hbd h PHE 207 Cb 0.20 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3hbd h PHE 207 CO 0.00 0.72 0.11 0.78 -2.23 0.00 0.00 178.31 177.69 3hbd h GLY 208 N 1.25 0.24 1.49 2.40 0.00 -0.43 0.19 103.07 108.22 3hbd h GLY 208 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3hbd h GLY 208 CO -0.08 0.09 0.33 -1.33 0.00 0.00 0.00 176.54 175.54 3hbd h GLY 209 N 0.23 0.72 1.41 4.60 0.00 -0.68 -1.37 103.07 107.99 3hbd h GLY 209 Ca 0.06 -0.28 -0.22 0.00 0.00 0.00 0.00 47.33 46.89 3hbd h GLY 209 CO -0.01 0.27 -0.87 -0.91 0.00 0.00 0.00 176.54 175.01 3hbd h THR 210 N 0.70 1.34 -0.33 4.70 1.35 -0.57 -1.92 112.91 118.18 3hbd h THR 210 Ca 0.19 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 3hbd h THR 210 Cb -0.06 2.24 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 3hbd h THR 210 CO -0.04 0.68 0.21 0.40 -0.25 0.00 0.00 175.52 176.52 3hbd h ILE 211 N 0.34 1.10 -0.71 6.82 2.04 -1.07 -1.23 117.51 124.81 3hbd h ILE 211 Ca -0.07 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.65 3hbd h ILE 211 Cb 1.50 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 3hbd h ILE 211 CO 0.16 0.10 0.36 0.11 0.00 0.00 0.00 178.15 178.89 3hbd h LYS 212 N 0.44 0.61 0.00 2.37 1.57 -1.22 0.17 116.57 120.51 3hbd h LYS 212 Ca 0.12 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3hbd h LYS 212 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3hbd h LYS 212 CO -0.02 0.40 -0.31 0.00 -0.57 0.00 0.00 179.45 178.94 3hbd h ALA 213 N 1.41 1.34 0.00 3.86 0.00 -0.84 -3.09 119.26 121.94 3hbd h ALA 213 Ca 0.34 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 3hbd h ALA 213 Cb 0.33 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3hbd h ALA 213 CO -0.25 0.39 -1.44 -0.89 0.00 0.00 0.00 179.25 177.06 3hbd n ILE 214 N -3.95 1.52 -3.32 0.00 5.41 -0.51 -4.58 119.36 113.93 3hbd n ILE 214 Ca -0.02 -0.07 -0.24 0.00 1.00 0.00 0.00 62.75 63.43 3hbd n ILE 214 Cb 0.38 -2.05 -0.09 0.00 -0.71 0.00 0.00 39.64 37.17 3hbd n ILE 214 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3hbd s ASN 215 N -6.85 1.27 0.32 4.38 2.47 0.51 -5.00 114.94 112.03 3hbd s ASN 215 Ca -0.29 -2.63 0.05 0.00 0.42 0.00 0.00 52.86 50.40 3hbd s ASN 215 Cb 0.07 -0.05 0.85 0.00 -1.45 0.00 0.00 41.25 40.67 3hbd s ASN 215 CO 0.53 -0.19 1.58 -1.28 -3.72 0.00 0.00 177.10 174.02 3hbd h SER 216 N 5.91 -0.34 0.37 -4.21 0.87 -1.67 -2.44 113.55 112.04 3hbd h SER 216 Ca 0.19 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 3hbd h SER 216 Cb 0.96 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 3hbd h SER 216 CO 0.29 -0.36 0.00 0.00 -0.53 0.00 0.00 176.83 176.23 3hbd h MET 217 N 0.01 0.00 0.00 2.24 -0.00 -1.92 -2.67 114.93 112.59 3hbd h MET 217 Ca 0.64 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 60.22 3hbd h MET 217 Cb 1.39 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.97 3hbd h MET 217 CO -0.89 0.00 -0.58 0.93 -0.00 0.00 0.00 176.91 176.37 3hbd h GLU 218 N 0.00 0.00 -7.52 -0.10 5.08 -1.77 -3.34 114.58 106.93 3hbd h GLU 218 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 3hbd h GLU 218 Cb 0.19 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.54 3hbd h GLU 218 CO 0.00 0.58 0.38 0.00 -1.00 0.00 0.00 179.01 178.97 3hbd n ASN 220 N -3.32 -2.73 -0.08 0.00 3.02 -1.25 -1.84 115.26 109.05 3hbd n ASN 220 Ca 0.07 -0.87 -0.01 0.00 -0.03 0.00 0.00 54.58 53.74 3hbd n ASN 220 Cb 0.59 -3.59 -0.00 0.00 -0.61 0.00 0.00 39.78 36.16 3hbd n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbd n GLY 221 N -1.68 0.43 0.20 7.41 0.00 -1.26 -4.91 105.19 105.38 3hbd n GLY 221 Ca -0.11 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 3hbd n GLY 221 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hbd h GLY 222 N 0.00 0.66 -6.13 -0.02 0.00 -1.14 -3.38 103.07 93.06 3hbd h GLY 222 Ca -0.02 -0.27 -0.26 0.00 0.00 0.00 0.00 47.33 46.77 3hbd h GLY 222 CO 0.03 0.26 -0.61 0.21 0.00 0.00 0.00 176.54 176.43 3hbd s ASN 223 N -5.68 0.09 0.44 0.19 3.84 -0.56 -4.87 114.94 108.38 3hbd s ASN 223 Ca -0.13 -1.43 0.10 0.00 0.21 0.00 0.00 52.86 51.61 3hbd s ASN 223 Cb 0.11 1.07 0.97 0.00 -0.55 0.00 0.00 41.25 42.86 3hbd s ASN 223 CO 0.74 -0.21 2.07 0.77 -2.79 0.00 0.00 177.10 177.68 3hbd h SER 224 N 6.77 0.35 -0.31 -4.21 4.64 -1.76 -2.48 113.55 116.57 3hbd h SER 224 Ca 0.07 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 3hbd h SER 224 Cb 1.09 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3hbd h SER 224 CO 0.16 0.25 -0.32 1.23 -0.87 0.00 0.00 176.83 177.28 3hbd h GLY 225 N 0.41 0.90 0.78 -0.77 0.00 -1.95 -0.30 103.07 102.15 3hbd h GLY 225 Ca 0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 3hbd h GLY 225 CO -0.03 0.78 0.01 0.83 0.00 0.00 0.00 176.54 178.13 3hbd h GLU 226 N 0.70 0.22 -0.53 4.80 5.08 -1.85 -0.96 114.58 122.04 3hbd h GLU 226 Ca 0.07 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3hbd h GLU 226 Cb 0.88 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 3hbd h GLU 226 CO 0.08 0.44 0.21 0.28 -1.00 0.00 0.00 179.01 179.02 3hbd h VAL 227 N -0.03 0.84 -0.58 3.13 2.07 -1.37 -2.05 116.25 118.27 3hbd h VAL 227 Ca 0.04 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3hbd h VAL 227 Cb 0.34 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3hbd h VAL 227 CO 0.01 0.07 0.23 0.28 0.02 0.00 0.00 177.57 178.18 3hbd h SER 228 N 0.40 0.76 0.20 0.57 0.02 -0.83 0.11 113.55 114.78 3hbd h SER 228 Ca 0.25 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3hbd h SER 228 Cb 0.26 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3hbd h SER 228 CO -0.24 0.69 -0.12 -1.28 -1.14 0.00 0.00 176.83 174.74 3hbd h SER 229 N 0.83 -0.31 -0.00 3.07 0.87 -0.69 0.17 113.55 117.49 3hbd h SER 229 Ca 0.20 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3hbd h SER 229 Cb 0.17 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3hbd h SER 229 CO -0.02 -0.20 0.00 0.03 -0.53 0.00 0.00 176.83 176.11 3hbd h ARG 230 N -0.31 0.00 -0.79 2.24 3.08 -0.91 -2.65 114.38 115.04 3hbd h ARG 230 Ca -0.02 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3hbd h ARG 230 Cb 0.26 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 3hbd h ARG 230 CO 0.02 0.07 0.40 0.28 -1.07 0.00 0.00 179.97 179.67 3hbd h VAL 231 N -0.07 1.24 -0.12 2.04 2.07 -0.75 -1.29 116.25 119.38 3hbd h VAL 231 Ca 0.00 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3hbd h VAL 231 Cb 0.07 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3hbd h VAL 231 CO -0.00 0.29 0.03 -1.13 0.02 0.00 0.00 177.57 176.77 3hbd h ASN 232 N 1.12 0.01 -0.48 0.57 -1.24 -0.54 -0.84 115.58 114.19 3hbd h ASN 232 Ca 0.28 0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.35 3hbd h ASN 232 Cb 0.08 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.11 3hbd h ASN 232 CO -0.04 0.03 0.20 1.88 -1.29 0.00 0.00 177.43 178.21 3hbd h TYR 233 N 0.08 0.37 -0.52 0.67 0.99 -1.11 -2.11 116.97 115.35 3hbd h TYR 233 Ca 0.05 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3hbd h TYR 233 Cb 0.04 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 37.65 3hbd h TYR 233 CO -0.11 0.16 0.34 -0.92 -0.00 0.00 0.00 178.16 177.62 3hbd h TYR 234 N 0.40 0.65 -0.64 4.88 3.20 -0.82 -0.43 116.97 124.22 3hbd h TYR 234 Ca 0.22 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 3hbd h TYR 234 Cb 0.18 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3hbd h TYR 234 CO -0.13 0.41 0.17 0.87 -1.64 0.00 0.00 178.16 177.84 3hbd h LYS 235 N 0.70 1.01 -0.23 1.82 1.57 -1.05 0.12 116.57 120.51 3hbd h LYS 235 Ca 0.19 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hbd h LYS 235 Cb -0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3hbd h LYS 235 CO -0.04 0.91 0.09 0.87 -0.57 0.00 0.00 179.45 180.71 3hbd h LYS 236 N 0.93 0.35 -0.39 3.15 1.57 -1.07 -1.75 116.57 119.36 3hbd h LYS 236 Ca 0.20 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3hbd h LYS 236 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3hbd h LYS 236 CO -0.00 0.39 0.02 0.82 -0.57 0.00 0.00 179.45 180.11 3hbd h ILE 237 N 0.22 1.26 -0.28 1.86 2.04 -0.91 -1.86 117.51 119.84 3hbd h ILE 237 Ca 0.08 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 65.02 3hbd h ILE 237 Cb 0.17 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3hbd h ILE 237 CO -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 178.15 178.43 3hbd h SER 239 N 0.04 0.79 0.49 0.00 4.64 -1.12 0.18 113.55 118.57 3hbd h SER 239 Ca 0.13 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 3hbd h SER 239 Cb 0.19 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3hbd h SER 239 CO -0.26 0.47 -0.43 1.56 -0.87 0.00 0.00 176.83 177.30 3hbd h GLN 240 N 0.88 0.00 -0.01 4.77 4.20 -0.76 -2.89 115.11 121.30 3hbd h GLN 240 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 3hbd h GLN 240 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3hbd h GLN 240 CO -0.16 0.43 -0.33 1.28 -0.67 0.00 0.00 178.83 179.38 3hbd n LEU 241 N -3.93 1.10 -1.51 1.46 4.77 -0.32 -4.96 117.00 113.61 3hbd n LEU 241 Ca -0.01 -0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 55.55 3hbd n LEU 241 Cb 0.47 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 3hbd n LEU 241 CO 0.39 0.21 -0.04 0.61 -1.33 0.00 0.00 177.39 177.23 3hbd n GLY 242 N 1.37 0.03 3.31 -0.72 0.00 -0.05 -5.04 105.19 104.10 3hbd n GLY 242 Ca 0.11 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 3hbd n GLY 242 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbd s VAL 243 N -2.76 2.05 0.26 1.61 0.11 -0.60 -5.03 120.40 116.05 3hbd s VAL 243 Ca 0.11 -1.15 -0.30 0.00 -2.93 0.00 0.00 61.98 57.70 3hbd s VAL 243 Cb -0.05 -1.71 -0.10 0.00 -1.53 0.00 0.00 36.38 32.99 3hbd s VAL 243 CO 0.13 0.54 1.47 -0.62 -3.33 0.00 0.00 175.10 173.29 3hbd s ASP 244 N -0.72 6.60 0.57 3.54 2.15 -1.26 -4.23 116.67 123.32 3hbd s ASP 244 Ca 0.10 2.72 0.36 0.00 0.43 0.00 0.00 52.55 56.16 3hbd s ASP 244 Cb -0.10 -2.63 1.64 0.00 -0.30 0.00 0.00 42.92 41.53 3hbd s ASP 244 CO -0.00 -0.74 2.08 -0.65 -0.17 0.00 0.00 175.17 175.68 3hbd h PRO 245 N 5.01 0.00 0.00 4.34 0.11 -1.95 -3.48 132.00 136.03 3hbd h PRO 245 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hbd h PRO 245 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hbd h PRO 245 CO 0.78 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 3hbd n GLY 246 N -0.27 -1.94 3.97 -0.55 0.00 -1.26 -4.78 105.19 100.35 3hbd n GLY 246 Ca -0.00 -1.55 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 3hbd n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbd s ALA 247 N -1.22 3.96 -1.18 4.61 0.00 -1.26 -4.55 121.76 122.13 3hbd s ALA 247 Ca 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 50.65 3hbd s ALA 247 Cb 0.00 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.18 3hbd s ALA 247 CO 0.00 -0.25 1.00 0.09 0.00 0.00 0.00 175.76 176.60 3hbd n ASN 248 N -1.91 -5.78 -0.14 0.00 3.02 -1.26 -4.36 115.26 104.82 3hbd n ASN 248 Ca 0.01 -0.45 -0.12 0.00 -0.03 0.00 0.00 54.58 53.99 3hbd n ASN 248 Cb 0.58 -4.40 -0.01 0.00 -0.61 0.00 0.00 39.78 35.34 3hbd n ASN 248 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hbd h VAL 249 N -2.28 1.27 -4.99 2.41 2.07 -1.89 0.44 116.25 113.28 3hbd h VAL 249 Ca -0.49 -1.38 -0.37 0.00 0.82 0.00 0.00 66.70 65.27 3hbd h VAL 249 Cb 1.32 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 3hbd h VAL 249 CO 0.48 0.47 -0.21 -1.54 0.02 0.00 0.00 177.57 176.79 3hbd n SER 250 N -4.16 2.33 0.00 0.57 3.41 -1.26 -2.22 113.62 112.29 3hbd n SER 250 Ca -0.01 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 3hbd n SER 250 Cb 0.46 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3hbd n SER 250 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88