#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbn s LYS 2 N 0.00 4.00 0.11 0.03 2.47 -1.26 -2.97 119.74 122.12 1xbn s LYS 2 Ca 0.00 0.81 -0.33 0.00 -1.56 0.00 0.00 55.97 54.89 1xbn s LYS 2 Cb 0.00 -2.29 -0.13 0.00 -1.46 0.00 0.00 37.83 33.96 1xbn s LYS 2 CO 0.00 -0.03 1.58 0.78 0.16 0.00 0.00 175.35 177.84 1xbn h GLY 3 N 1.65 -1.00 0.00 5.54 0.00 -0.23 -3.14 103.07 105.88 1xbn h GLY 3 Ca -0.48 0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1xbn h GLY 3 CO 0.63 -0.29 0.00 2.41 0.00 0.00 0.00 176.54 179.29 1xbn n THR 4 N -5.49 0.00 -0.32 4.70 -1.04 -1.25 -2.00 114.28 108.87 1xbn n THR 4 Ca -0.08 1.48 0.22 0.00 -2.04 0.00 0.00 64.05 63.63 1xbn n THR 4 Cb 0.40 -2.25 0.44 0.00 -1.82 0.00 0.00 70.33 67.10 1xbn n THR 4 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1xbn h ILE 5 N 0.00 0.21 0.00 12.58 6.09 -1.95 4.98 117.51 139.42 1xbn h ILE 5 Ca 0.00 -0.07 -0.01 0.00 -1.37 0.00 0.00 64.86 63.41 1xbn h ILE 5 Cb 0.00 -0.01 -0.00 0.00 0.47 0.00 0.00 36.82 37.28 1xbn h ILE 5 CO 0.00 0.04 -0.06 0.58 -3.07 0.00 0.00 178.15 175.64 1xbn h VAL 6 N 0.20 0.41 0.07 2.19 2.07 -1.38 0.19 116.25 120.00 1xbn h VAL 6 Ca 0.71 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.96 1xbn h VAL 6 Cb 1.63 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1xbn h VAL 6 CO -0.68 0.05 -0.15 1.23 0.02 0.00 0.00 177.57 178.04 1xbn h GLY 7 N 0.54 -0.26 0.98 2.17 0.00 1.06 -2.96 103.07 104.60 1xbn h GLY 7 Ca -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1xbn h GLY 7 CO 0.01 -0.15 0.24 -0.91 0.00 0.00 0.00 176.54 175.73 1xbn h THR 8 N -0.29 1.14 -0.38 4.70 1.35 -0.72 -0.42 112.91 118.28 1xbn h THR 8 Ca 0.03 -0.35 0.08 0.00 -0.55 0.00 0.00 66.41 65.62 1xbn h THR 8 Cb 0.32 0.62 -0.09 0.00 -1.73 0.00 0.00 68.15 67.27 1xbn h THR 8 CO -0.10 0.15 -0.26 -0.50 -0.25 0.00 0.00 175.52 174.56 1xbn h TRP 9 N 0.55 -0.70 -0.01 4.73 -0.00 -1.41 1.23 115.95 120.34 1xbn h TRP 9 Ca 0.15 0.05 -0.00 0.00 -0.00 0.00 0.00 58.89 59.09 1xbn h TRP 9 Cb 0.03 0.37 -0.00 0.00 -0.00 0.00 0.00 29.16 29.55 1xbn h TRP 9 CO -0.03 -0.34 0.00 0.82 -0.00 0.00 0.00 178.44 178.90 1xbn h ILE 10 N -0.20 1.14 -0.00 1.49 2.04 -1.33 0.75 117.51 121.39 1xbn h ILE 10 Ca 0.18 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1xbn h ILE 10 Cb 0.49 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1xbn h ILE 10 CO -0.50 0.11 -0.41 0.50 0.00 0.00 0.00 178.15 177.85 1xbn h LYS 11 N -0.16 -0.50 -0.93 2.37 3.11 0.30 0.94 116.57 121.70 1xbn h LYS 11 Ca 0.00 0.03 0.05 0.00 -2.81 0.00 0.00 60.65 57.93 1xbn h LYS 11 Cb 0.17 0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 31.46 1xbn h LYS 11 CO -0.00 -0.33 0.61 1.15 -2.81 0.00 0.00 179.45 178.06 1xbn h THR 12 N -0.52 1.11 -0.11 1.00 2.02 0.14 1.68 112.91 118.23 1xbn h THR 12 Ca 0.01 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1xbn h THR 12 Cb 0.56 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1xbn h THR 12 CO -0.28 0.20 -0.05 0.25 0.37 0.00 0.00 175.52 176.01 1xbn h LEU 13 N 1.11 0.14 0.00 2.58 6.46 0.16 -2.57 115.31 123.19 1xbn h LEU 13 Ca 0.39 -0.02 -0.28 0.00 -0.12 0.00 0.00 57.88 57.84 1xbn h LEU 13 Cb 0.11 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 39.95 1xbn h LEU 13 CO -0.13 0.22 -2.18 0.54 -0.62 0.00 0.00 178.44 176.26 1xbn n ARG 14 N -4.39 1.01 -0.26 1.25 5.12 0.22 -3.31 116.66 116.32 1xbn n ARG 14 Ca -0.01 -0.03 0.02 0.00 -1.93 0.00 0.00 57.85 55.90 1xbn n ARG 14 Cb 0.18 -1.46 0.10 0.00 -1.16 0.00 0.00 32.46 30.12 1xbn n ARG 14 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 1xbn h ASP 15 N 0.00 -0.63 0.00 0.55 3.58 0.29 -3.16 116.42 117.05 1xbn h ASP 15 Ca -0.42 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1xbn h ASP 15 Cb 1.95 0.44 0.00 0.00 1.72 0.00 0.00 39.33 43.44 1xbn h ASP 15 CO 0.02 -0.24 0.00 0.18 -2.88 0.00 0.00 179.24 176.33 1xbn n LEU 16 N -5.47 0.00 -3.98 2.28 4.77 -1.22 -5.06 117.00 108.33 1xbn n LEU 16 Ca 0.11 -0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 1xbn n LEU 16 Cb 0.40 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 1xbn n LEU 16 CO 0.01 0.06 -0.36 -0.31 -1.33 0.00 0.00 177.39 175.46 1xbn s TYR 17 N 0.00 3.26 0.18 -1.77 1.51 -1.19 -4.97 117.35 114.38 1xbn s TYR 17 Ca 0.00 -2.61 0.00 0.00 -1.01 0.00 0.00 57.07 53.45 1xbn s TYR 17 Cb 0.00 -2.49 0.00 0.00 -0.11 0.00 0.00 41.96 39.36 1xbn s TYR 17 CO 0.00 -0.91 0.00 0.41 -1.11 0.00 0.00 175.55 173.94 1xbn n GLY 18 N 4.40 -1.75 1.82 0.71 0.00 -1.26 -4.45 105.19 104.66 1xbn n GLY 18 Ca -0.01 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1xbn n GLY 18 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xbn n ASN 19 N -3.11 1.29 0.26 1.61 3.02 -1.26 -4.81 115.26 112.26 1xbn n ASN 19 Ca 0.01 -1.78 0.12 0.00 -0.03 0.00 0.00 54.58 52.89 1xbn n ASN 19 Cb 0.36 -0.13 0.70 0.00 -0.61 0.00 0.00 39.78 40.10 1xbn n ASN 19 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1xbn h ASP 20 N 0.14 0.00 0.13 6.41 5.19 -1.93 -3.17 116.42 123.19 1xbn h ASP 20 Ca -0.14 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1xbn h ASP 20 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1xbn h ASP 20 CO 0.21 0.13 -0.06 -0.37 -3.12 0.00 0.00 179.24 176.03 1xbn h VAL 21 N 0.00 1.03 -0.65 -1.35 -1.51 -1.94 0.41 116.25 112.25 1xbn h VAL 21 Ca -0.00 -1.12 0.12 0.00 -1.23 0.00 0.00 66.70 64.47 1xbn h VAL 21 Cb 0.36 1.68 -0.09 0.00 -2.13 0.00 0.00 31.29 31.11 1xbn h VAL 21 CO 0.02 0.25 0.19 1.62 -1.23 0.00 0.00 177.57 178.41 1xbn h VAL 22 N -0.74 0.65 0.00 7.19 3.04 -1.92 -3.01 116.25 121.45 1xbn h VAL 22 Ca -0.02 -0.11 -0.13 0.00 -1.01 0.00 0.00 66.70 65.43 1xbn h VAL 22 Cb 0.54 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.09 1xbn h VAL 22 CO 0.03 0.06 -1.73 -0.67 -1.01 0.00 0.00 177.57 174.25 1xbn n ASP 23 N -5.08 2.03 0.00 3.17 -0.08 -1.20 -3.97 116.55 111.42 1xbn n ASP 23 Ca 0.11 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.47 1xbn n ASP 23 Cb 0.35 1.12 0.37 0.00 2.34 0.00 0.00 41.12 45.31 1xbn n ASP 23 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1xbn n GLU 24 N -2.24 0.09 -0.02 -0.67 2.13 0.15 0.20 120.64 120.27 1xbn n GLU 24 Ca -0.13 0.19 -0.20 0.00 0.66 0.00 0.00 57.16 57.68 1xbn n GLU 24 Cb 0.67 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.74 1xbn n GLU 24 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1xbn h SER 25 N 0.00 0.25 -0.54 4.31 4.64 -1.66 -2.95 113.55 117.60 1xbn h SER 25 Ca 0.00 -0.82 -0.08 0.00 -0.47 0.00 0.00 61.79 60.42 1xbn h SER 25 Cb 0.23 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1xbn h SER 25 CO 0.00 1.48 0.03 -0.07 -0.87 0.00 0.00 176.83 177.40 1xbn h LEU 26 N -0.55 0.91 0.00 5.97 -0.00 -1.53 5.44 115.31 125.55 1xbn h LEU 26 Ca -0.25 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 1xbn h LEU 26 Cb 1.54 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1xbn h LEU 26 CO 0.00 0.98 0.00 1.17 -0.00 0.00 0.00 178.44 180.60 1xbn n LYS 27 N -4.30 0.00 -0.72 1.13 0.00 0.54 0.25 118.16 115.07 1xbn n LYS 27 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.21 1xbn n LYS 27 Cb 0.31 -0.08 -0.10 0.00 0.00 0.00 0.00 35.03 35.16 1xbn n LYS 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1xbn n SER 28 N 0.00 4.04 0.00 3.14 7.64 -1.11 -1.54 113.62 125.79 1xbn n SER 28 Ca 0.00 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.67 1xbn n SER 28 Cb 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1xbn n SER 28 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1xbn n VAL 29 N 2.93 0.00 0.00 0.44 0.31 -0.79 -4.71 118.33 116.51 1xbn n VAL 29 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1xbn n VAL 29 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1xbn n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xbn n GLY 30 N 0.00 -2.91 0.00 2.92 0.00 1.77 -4.40 105.19 102.58 1xbn n GLY 30 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xbn n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xbn n TRP 31 N -0.44 0.00 -3.89 1.61 7.02 -1.24 -4.88 117.44 115.62 1xbn n TRP 31 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.23 1xbn n TRP 31 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 1xbn n TRP 31 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1xbn s GLU 32 N -1.09 2.31 0.69 -0.99 -1.05 -1.25 -5.12 118.70 112.20 1xbn s GLU 32 Ca 0.00 -1.89 -0.11 0.00 -0.15 0.00 0.00 54.97 52.82 1xbn s GLU 32 Cb 0.00 -2.12 0.00 0.00 -0.44 0.00 0.00 34.13 31.57 1xbn s GLU 32 CO 0.00 -0.42 1.07 -2.14 0.95 0.00 0.00 175.26 174.72 1xbn s PRO 33 N -4.16 3.04 -0.83 -4.83 0.02 -1.26 -1.89 135.00 125.09 1xbn s PRO 33 Ca 0.38 0.61 -0.25 0.00 0.02 0.00 0.00 61.00 61.75 1xbn s PRO 33 Cb -0.01 -2.03 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 1xbn s PRO 33 CO 0.22 -0.94 2.15 0.34 -0.33 0.00 0.00 177.00 178.44 1xbn s ASP 34 N -4.22 4.61 0.00 2.53 -1.08 -1.26 -4.43 116.67 112.82 1xbn s ASP 34 Ca 0.57 -0.28 0.00 0.00 -0.52 0.00 0.00 52.55 52.32 1xbn s ASP 34 Cb -0.12 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1xbn s ASP 34 CO 0.53 -3.20 0.00 -1.14 0.52 0.00 0.00 175.17 171.88 1xbn n ARG 35 N 8.86 0.00 -0.10 4.34 0.63 -1.26 -5.04 116.66 124.10 1xbn n ARG 35 Ca 0.42 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.25 1xbn n ARG 35 Cb 0.46 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.47 1xbn n ARG 35 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1xbn n VAL 36 N 0.00 0.00 -1.48 5.15 0.31 -1.26 -5.06 118.33 115.98 1xbn n VAL 36 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1xbn n VAL 36 Cb 0.00 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 1xbn n VAL 36 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1xbn n ILE 37 N -3.88 0.00 0.01 2.52 -6.64 -1.26 -5.11 119.36 105.00 1xbn n ILE 37 Ca 0.05 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.03 1xbn n ILE 37 Cb 0.20 -1.46 0.00 0.00 -1.44 0.00 0.00 39.64 36.93 1xbn n ILE 37 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1xbn n THR 38 N -0.60 0.00 0.00 7.28 -2.24 -1.26 -4.80 114.28 112.66 1xbn n THR 38 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xbn n THR 38 Cb 0.00 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1xbn n THR 38 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1xbn n PRO 39 N -2.55 0.00 -1.44 -0.78 -0.02 -1.26 -2.99 135.00 125.97 1xbn n PRO 39 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.52 1xbn n PRO 39 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.52 1xbn n PRO 39 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1xbn n LEU 40 N 0.00 1.19 -4.86 2.45 -0.00 -1.26 -4.72 117.00 109.79 1xbn n LEU 40 Ca 0.00 -2.21 -0.31 0.00 -0.00 0.00 0.00 56.01 53.49 1xbn n LEU 40 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 43.37 1xbn n LEU 40 CO 0.00 0.60 0.68 -1.61 -0.00 0.00 0.00 177.39 177.06 1xbn s GLU 41 N -0.40 3.73 0.71 1.47 8.01 -1.16 -4.75 118.70 126.31 1xbn s GLU 41 Ca 0.34 0.78 -0.04 0.00 0.01 0.00 0.00 54.97 56.07 1xbn s GLU 41 Cb 0.39 -2.13 0.10 0.00 -4.31 0.00 0.00 34.13 28.18 1xbn s GLU 41 CO -0.16 -0.42 1.00 -0.51 0.01 0.00 0.00 175.26 175.18 1xbn s ASP 42 N -3.73 4.47 0.01 -0.19 1.01 -1.26 0.46 116.67 117.44 1xbn s ASP 42 Ca 0.56 -0.04 -0.00 0.00 0.71 0.00 0.00 52.55 53.77 1xbn s ASP 42 Cb -0.11 -0.45 0.00 0.00 1.01 0.00 0.00 42.92 43.37 1xbn s ASP 42 CO 0.44 -1.77 0.01 0.00 0.21 0.00 0.00 175.17 174.06 1xbn n ILE 43 N -2.87 0.00 -0.87 0.77 3.06 -1.16 -4.55 119.36 113.74 1xbn n ILE 43 Ca 0.12 -0.04 0.00 0.00 -2.50 0.00 0.00 62.75 60.33 1xbn n ILE 43 Cb 0.60 0.02 0.00 0.00 0.54 0.00 0.00 39.64 40.81 1xbn n ILE 43 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1xbn n ASP 44 N -2.25 0.00 -3.13 9.51 5.75 -1.26 -4.53 116.55 120.64 1xbn n ASP 44 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.70 1xbn n ASP 44 Cb 0.01 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.12 1xbn n ASP 44 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1xbn s ASP 45 N -1.00 -0.05 0.00 -1.12 1.47 -1.26 -2.52 116.67 112.19 1xbn s ASP 45 Ca 0.00 -1.02 0.00 0.00 1.18 0.00 0.00 52.55 52.71 1xbn s ASP 45 Cb 0.00 0.82 0.00 0.00 -0.34 0.00 0.00 42.92 43.40 1xbn s ASP 45 CO 0.00 -1.60 0.00 -0.67 0.68 0.00 0.00 175.17 173.58 1xbn n ASP 46 N -1.21 0.00 0.05 2.11 -0.08 -1.26 -3.69 116.55 112.46 1xbn n ASP 46 Ca -0.07 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.16 1xbn n ASP 46 Cb 0.60 -0.25 -0.09 0.00 2.34 0.00 0.00 41.12 43.72 1xbn n ASP 46 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1xbn h GLU 47 N 0.00 0.00 -0.48 -0.67 3.07 -1.99 -2.90 114.58 111.62 1xbn h GLU 47 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 1xbn h GLU 47 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1xbn h GLU 47 CO 0.00 0.63 -0.16 0.28 -1.40 0.00 0.00 179.01 178.36 1xbn h VAL 48 N 0.00 1.27 -0.67 3.13 2.07 -1.91 -1.18 116.25 118.96 1xbn h VAL 48 Ca -0.11 -1.31 0.12 0.00 0.82 0.00 0.00 66.70 66.22 1xbn h VAL 48 Cb 1.73 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 32.51 1xbn h VAL 48 CO 0.09 0.45 0.21 0.03 0.02 0.00 0.00 177.57 178.37 1xbn h ARG 49 N 0.81 0.34 0.00 1.57 3.08 -1.83 -1.02 114.38 117.33 1xbn h ARG 49 Ca 0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1xbn h ARG 49 Cb 0.72 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1xbn h ARG 49 CO 0.06 0.22 -0.99 0.00 -1.07 0.00 0.00 179.97 178.19 1xbn h ARG 50 N 0.35 0.00 -0.12 0.04 3.08 -1.34 -2.69 114.38 113.70 1xbn h ARG 50 Ca 0.36 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.21 1xbn h ARG 50 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.59 1xbn h ARG 50 CO -0.40 0.02 -0.69 -0.84 -1.07 0.00 0.00 179.97 176.99 1xbn h ILE 51 N 0.00 1.32 -0.61 2.04 3.07 -0.71 -1.58 117.51 121.04 1xbn h ILE 51 Ca -0.01 -1.94 0.05 0.00 1.55 0.00 0.00 64.86 64.50 1xbn h ILE 51 Cb 1.04 2.12 -0.05 0.00 -0.27 0.00 0.00 36.82 39.66 1xbn h ILE 51 CO 0.00 0.60 0.34 -0.26 -1.05 0.00 0.00 178.15 177.79 1xbn h PHE 52 N 0.34 0.63 -0.94 0.16 -1.00 -1.29 0.62 116.94 115.47 1xbn h PHE 52 Ca -0.05 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1xbn h PHE 52 Cb 1.33 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 40.65 1xbn h PHE 52 CO 0.10 0.32 0.56 0.00 -1.61 0.00 0.00 178.31 177.68 1xbn h ALA 53 N 1.31 1.20 0.00 2.45 0.00 -1.38 -0.73 119.26 122.11 1xbn h ALA 53 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xbn h ALA 53 Cb 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xbn h ALA 53 CO -0.15 0.67 0.00 0.87 0.00 0.00 0.00 179.25 180.63 1xbn h LYS 54 N 1.30 0.00 -0.02 0.00 1.79 -0.49 0.36 116.57 119.51 1xbn h LYS 54 Ca 0.34 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.64 1xbn h LYS 54 Cb -0.04 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1xbn h LYS 54 CO -0.06 0.00 -0.64 0.28 -1.08 0.00 0.00 179.45 177.95 1xbn h VAL 55 N 0.00 1.40 0.13 0.50 2.07 0.88 0.65 116.25 121.87 1xbn h VAL 55 Ca 0.00 -2.05 0.01 0.00 0.82 0.00 0.00 66.70 65.48 1xbn h VAL 55 Cb 0.90 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 1xbn h VAL 55 CO 0.00 0.61 -0.20 -1.28 0.02 0.00 0.00 177.57 176.72 1xbn h SER 56 N 0.01 -0.55 -0.12 0.57 0.87 -0.92 1.13 113.55 114.54 1xbn h SER 56 Ca -0.07 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1xbn h SER 56 Cb 1.33 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 63.45 1xbn h SER 56 CO 0.13 -0.29 -0.15 -0.08 -0.53 0.00 0.00 176.83 175.91 1xbn h GLU 57 N -0.39 -0.19 0.62 2.24 4.81 -0.31 -3.20 114.58 118.16 1xbn h GLU 57 Ca 0.02 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1xbn h GLU 57 Cb 0.40 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.83 1xbn h GLU 57 CO -0.10 -0.12 -0.30 0.87 -0.73 0.00 0.00 179.01 178.63 1xbn h LYS 58 N -0.19 -0.80 0.00 1.92 1.79 0.13 -3.42 116.57 116.00 1xbn h LYS 58 Ca 0.09 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1xbn h LYS 58 Cb 0.32 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1xbn h LYS 58 CO -0.23 -0.52 0.00 2.41 -1.08 0.00 0.00 179.45 180.03 1xbn n THR 59 N -5.43 0.00 -1.50 -0.16 -1.04 0.38 -4.96 114.28 101.57 1xbn n THR 59 Ca -0.13 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.68 1xbn n THR 59 Cb 0.35 -1.53 0.13 0.00 -1.82 0.00 0.00 70.33 67.46 1xbn n THR 59 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xbn n GLY 60 N 3.82 5.39 3.39 3.41 0.00 -1.26 -4.76 105.19 115.19 1xbn n GLY 60 Ca 0.00 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 1xbn n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbn s LYS 61 N -3.49 3.46 0.49 1.61 1.02 -1.21 -5.08 119.74 116.53 1xbn s LYS 61 Ca 0.54 -0.63 -0.21 0.00 0.02 0.00 0.00 55.97 55.69 1xbn s LYS 61 Cb 0.45 -2.77 -0.10 0.00 -0.52 0.00 0.00 37.83 34.89 1xbn s LYS 61 CO 0.02 0.15 0.67 -1.71 -0.92 0.00 0.00 175.35 173.56 1xbn n ASN 62 N 3.75 -0.37 0.17 2.83 2.85 -1.26 -4.22 115.26 119.00 1xbn n ASN 62 Ca -0.18 0.87 0.04 0.00 -0.11 0.00 0.00 54.58 55.19 1xbn n ASN 62 Cb 0.52 -1.21 0.24 0.00 1.24 0.00 0.00 39.78 40.58 1xbn n ASN 62 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1xbn h VAL 63 N 0.73 0.99 -0.33 3.44 3.04 -1.93 -2.61 116.25 119.58 1xbn h VAL 63 Ca -0.44 -1.80 -0.05 0.00 -1.01 0.00 0.00 66.70 63.40 1xbn h VAL 63 Cb 1.38 2.08 -0.02 0.00 -2.01 0.00 0.00 31.29 32.73 1xbn h VAL 63 CO 0.51 0.45 0.01 0.78 -1.01 0.00 0.00 177.57 178.31 1xbn h ASN 64 N 0.00 0.47 -0.04 3.17 2.35 -1.97 -1.17 115.58 118.39 1xbn h ASN 64 Ca -0.00 -0.08 -0.24 0.00 -0.55 0.00 0.00 56.30 55.42 1xbn h ASN 64 Cb 1.05 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 39.31 1xbn h ASN 64 CO 0.06 0.53 -0.92 -0.08 -1.65 0.00 0.00 177.43 175.37 1xbn h GLU 65 N 0.49 0.72 -0.51 0.81 4.57 -1.85 -2.09 114.58 116.72 1xbn h GLU 65 Ca 0.11 -0.69 0.10 0.00 -1.18 0.00 0.00 59.36 57.70 1xbn h GLU 65 Cb 0.30 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 28.96 1xbn h GLU 65 CO 0.01 1.28 -0.31 0.82 -1.18 0.00 0.00 179.01 179.62 1xbn h ILE 66 N 0.45 0.22 -0.42 2.32 2.04 -1.04 -0.69 117.51 120.38 1xbn h ILE 66 Ca -0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1xbn h ILE 66 Cb 1.56 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1xbn h ILE 66 CO 0.18 0.00 0.16 -0.50 0.00 0.00 0.00 178.15 177.99 1xbn h TRP 67 N -0.18 0.29 0.56 1.37 4.06 -0.97 0.59 115.95 121.67 1xbn h TRP 67 Ca 0.21 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.16 1xbn h TRP 67 Cb 0.53 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1xbn h TRP 67 CO -0.58 0.12 -0.30 -0.09 -3.56 0.00 0.00 178.44 174.03 1xbn h ARG 68 N 0.34 -0.77 -0.80 0.49 9.65 -0.89 -1.79 114.38 120.61 1xbn h ARG 68 Ca 0.19 0.05 0.17 0.00 -1.10 0.00 0.00 59.98 59.30 1xbn h ARG 68 Cb 0.17 0.17 -0.11 0.00 -1.39 0.00 0.00 29.97 28.81 1xbn h ARG 68 CO -0.19 -0.51 0.30 0.93 2.80 0.00 0.00 179.97 183.30 1xbn h GLU 69 N -0.80 0.38 0.01 0.20 5.08 -0.89 -0.55 114.58 118.01 1xbn h GLU 69 Ca -0.07 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1xbn h GLU 69 Cb 0.63 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1xbn h GLU 69 CO 0.10 0.25 -0.20 0.28 -1.00 0.00 0.00 179.01 178.44 1xbn h VAL 70 N 0.39 0.53 -1.00 3.13 2.07 -0.57 -1.81 116.25 118.99 1xbn h VAL 70 Ca 0.46 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.20 1xbn h VAL 70 Cb 0.78 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 1xbn h VAL 70 CO -0.47 0.00 0.62 1.23 0.02 0.00 0.00 177.57 178.97 1xbn h GLY 71 N -0.33 1.62 0.89 2.17 0.00 -0.36 1.11 103.07 108.17 1xbn h GLY 71 Ca 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1xbn h GLY 71 CO -0.18 -0.12 -0.42 3.21 0.00 0.00 0.00 176.54 179.03 1xbn h ARG 72 N 0.61 -1.14 0.00 4.80 -0.00 -0.38 -3.15 114.38 115.13 1xbn h ARG 72 Ca 0.59 0.08 0.00 0.00 -0.50 0.00 0.00 59.98 60.15 1xbn h ARG 72 Cb 1.13 0.26 0.00 0.00 0.00 0.00 0.00 29.97 31.36 1xbn h ARG 72 CO -0.37 -0.76 0.00 0.37 0.00 0.00 0.00 179.97 179.21 1xbn h GLN 73 N -1.31 0.00 0.00 0.04 5.75 -0.56 -2.84 115.11 116.19 1xbn h GLN 73 Ca -0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1xbn h GLN 73 Cb 0.91 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1xbn h GLN 73 CO 0.20 0.00 0.00 -1.71 -2.65 0.00 0.00 178.83 174.67 1xbn n ASN 74 N -2.67 0.00 0.07 -0.69 2.85 0.38 -0.56 115.26 114.64 1xbn n ASN 74 Ca 0.03 0.34 -0.12 0.00 -0.11 0.00 0.00 54.58 54.72 1xbn n ASN 74 Cb 0.36 -0.43 -0.03 0.00 1.24 0.00 0.00 39.78 40.92 1xbn n ASN 74 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1xbn h ILE 75 N 0.00 1.42 -0.04 -1.44 1.08 -1.56 -1.15 117.51 115.82 1xbn h ILE 75 Ca 0.00 -2.44 -0.02 0.00 -0.39 0.00 0.00 64.86 62.01 1xbn h ILE 75 Cb 0.29 2.39 -0.00 0.00 -3.07 0.00 0.00 36.82 36.42 1xbn h ILE 75 CO 0.00 0.73 -0.04 0.11 -0.69 0.00 0.00 178.15 178.26 1xbn h LYS 76 N 0.21 0.09 -1.10 2.37 1.79 -1.02 -1.69 116.57 117.22 1xbn h LYS 76 Ca -0.06 -0.05 0.32 0.00 -2.18 0.00 0.00 60.65 58.67 1xbn h LYS 76 Cb 1.52 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 32.06 1xbn h LYS 76 CO 0.15 0.56 0.70 1.15 -1.08 0.00 0.00 179.45 180.93 1xbn h THR 77 N -0.37 0.39 -0.09 -0.16 2.02 -1.53 1.39 112.91 114.57 1xbn h THR 77 Ca 0.01 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.93 1xbn h THR 77 Cb 0.54 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1xbn h THR 77 CO 0.01 0.06 -0.53 -0.26 0.37 0.00 0.00 175.52 175.16 1xbn h PHE 78 N 0.32 0.70 -0.72 3.16 0.05 -1.21 -2.76 116.94 116.48 1xbn h PHE 78 Ca 0.67 -0.32 0.03 0.00 3.82 0.00 0.00 57.97 62.17 1xbn h PHE 78 Cb 1.78 -0.10 -0.04 0.00 2.00 0.00 0.00 35.95 39.59 1xbn h PHE 78 CO -0.00 1.11 0.47 1.03 -0.18 0.00 0.00 178.31 180.74 1xbn h SER 79 N 0.10 0.77 0.00 2.17 0.87 0.23 -3.32 113.55 114.37 1xbn h SER 79 Ca -0.04 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1xbn h SER 79 Cb 1.19 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1xbn h SER 79 CO 0.11 0.54 0.00 -0.62 -0.53 0.00 0.00 176.83 176.33 1xbn n GLU 80 N -4.45 0.00 -1.70 2.24 1.02 0.35 -4.31 120.64 113.79 1xbn n GLU 80 Ca 0.09 0.31 -0.43 0.00 -0.02 0.00 0.00 57.16 57.11 1xbn n GLU 80 Cb 0.10 -1.04 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 1xbn n GLU 80 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1xbn n TRP 81 N -1.43 2.65 -1.51 -0.32 8.01 -1.04 -4.42 117.44 119.37 1xbn n TRP 81 Ca 0.00 -0.01 -0.03 0.00 -1.31 0.00 0.00 57.50 56.15 1xbn n TRP 81 Cb 0.00 -2.68 0.00 0.00 -2.01 0.00 0.00 31.31 26.62 1xbn n TRP 81 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 1xbn n PHE 82 N 4.61 -0.17 -3.05 -5.99 3.01 -1.26 -4.62 117.46 109.99 1xbn n PHE 82 Ca 0.17 0.07 -0.31 0.00 1.01 0.00 0.00 57.45 58.39 1xbn n PHE 82 Cb 0.35 -0.39 -0.04 0.00 -0.01 0.00 0.00 39.48 39.39 1xbn n PHE 82 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1xbn n PRO 83 N 0.62 3.51 0.08 -1.08 -0.04 -1.26 -4.77 135.00 132.06 1xbn n PRO 83 Ca -0.01 -4.75 -0.12 0.00 -0.04 0.00 0.00 63.50 58.59 1xbn n PRO 83 Cb 0.19 -2.31 -0.07 0.00 -0.04 0.00 0.00 33.50 31.27 1xbn n PRO 83 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xbn h SER 84 N 3.80 0.34 1.44 3.54 0.02 -1.93 -3.37 113.55 117.39 1xbn h SER 84 Ca 0.22 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1xbn h SER 84 Cb 0.53 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1xbn h SER 84 CO 0.94 1.16 0.00 1.88 -1.14 0.00 0.00 176.83 179.67 1xbn h TYR 85 N 0.11 0.00 0.00 3.45 -1.99 -1.99 -3.31 116.97 113.24 1xbn h TYR 85 Ca -0.07 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.60 1xbn h TYR 85 Cb 1.69 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.41 1xbn h TYR 85 CO 0.04 0.00 -0.40 0.74 -0.00 0.00 0.00 178.16 178.55 1xbn h PHE 86 N 0.00 0.00 -0.90 4.88 -1.00 -1.97 -3.44 116.94 114.51 1xbn h PHE 86 Ca 0.00 0.00 -0.84 0.00 2.81 0.00 0.00 57.97 59.94 1xbn h PHE 86 Cb 0.72 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.29 1xbn h PHE 86 CO 0.00 0.74 0.69 0.00 -1.61 0.00 0.00 178.31 178.13 1xbn n ALA 87 N -3.01 -1.22 -0.70 2.45 0.00 -1.25 -2.04 120.51 114.74 1xbn n ALA 87 Ca -0.13 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1xbn n ALA 87 Cb 0.39 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1xbn n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xbn n GLY 88 N 4.02 0.65 3.42 0.00 0.00 -1.26 -5.06 105.19 106.96 1xbn n GLY 88 Ca 0.31 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1xbn n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xbn s ARG 89 N -0.30 1.74 0.82 1.61 1.81 -0.87 -5.11 118.95 118.65 1xbn s ARG 89 Ca 0.00 -1.17 -0.10 0.00 -1.72 0.00 0.00 55.73 52.74 1xbn s ARG 89 Cb 0.00 -2.04 0.13 0.00 -0.45 0.00 0.00 34.95 32.59 1xbn s ARG 89 CO 0.00 0.49 1.16 1.03 -0.68 0.00 0.00 175.30 177.30 1xbn s ARG 90 N -1.79 1.47 0.17 3.54 0.52 -1.26 -4.95 118.95 116.64 1xbn s ARG 90 Ca 0.15 -0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 54.78 1xbn s ARG 90 Cb -0.10 -2.04 0.11 0.00 0.52 0.00 0.00 34.95 33.44 1xbn s ARG 90 CO 0.06 -1.79 1.67 1.25 0.02 0.00 0.00 175.30 176.52 1xbn h LEU 91 N -1.06 -0.34 0.50 2.53 5.85 -1.95 -3.07 115.31 117.77 1xbn h LEU 91 Ca -0.43 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1xbn h LEU 91 Cb 1.28 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1xbn h LEU 91 CO 0.49 -0.12 -0.42 0.58 -0.34 0.00 0.00 178.44 178.63 1xbn h VAL 92 N 0.02 0.00 -1.03 1.05 2.07 -1.99 -1.81 116.25 114.57 1xbn h VAL 92 Ca 0.20 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.00 1xbn h VAL 92 Cb 0.30 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.95 1xbn h VAL 92 CO -0.41 0.00 0.61 0.78 0.02 0.00 0.00 177.57 178.57 1xbn h ASN 93 N -0.90 0.57 -0.63 0.57 2.35 -1.95 0.37 115.58 115.96 1xbn h ASN 93 Ca -0.06 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1xbn h ASN 93 Cb 0.76 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.17 1xbn h ASN 93 CO -0.01 0.01 0.26 0.15 -1.65 0.00 0.00 177.43 176.20 1xbn h PHE 94 N 0.45 0.94 0.00 1.19 3.57 -1.25 -2.44 116.94 119.40 1xbn h PHE 94 Ca 0.68 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 62.04 1xbn h PHE 94 Cb 1.48 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1xbn h PHE 94 CO -0.01 0.74 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.40 1xbn h LEU 95 N 0.88 0.00 -0.04 0.59 3.38 -0.35 -3.10 115.31 116.67 1xbn h LEU 95 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1xbn h LEU 95 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xbn h LEU 95 CO -0.02 0.34 -0.31 0.23 0.09 0.00 0.00 178.44 178.77 1xbn n MET 96 N -3.97 0.09 0.05 1.13 2.81 -0.84 -2.18 117.12 114.22 1xbn n MET 96 Ca -0.02 -0.04 0.11 0.00 -1.81 0.00 0.00 57.70 55.95 1xbn n MET 96 Cb 0.40 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.35 1xbn n MET 96 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1xbn n MET 97 N -1.42 0.60 0.01 0.03 2.81 -1.03 -4.35 117.12 113.77 1xbn n MET 97 Ca 0.07 -0.01 0.10 0.00 -1.81 0.00 0.00 57.70 56.04 1xbn n MET 97 Cb 0.33 -1.69 0.52 0.00 -0.71 0.00 0.00 33.22 31.67 1xbn n MET 97 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1xbn h MET 98 N 0.00 0.34 0.47 0.03 -1.53 -1.44 0.45 114.93 113.25 1xbn h MET 98 Ca 0.00 -0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.22 1xbn h MET 98 Cb 0.98 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.95 1xbn h MET 98 CO 0.00 0.22 -0.23 0.22 0.14 0.00 0.00 176.91 177.27 1xbn h ASP 99 N 0.35 -0.53 -0.94 1.39 1.82 -1.76 0.21 116.42 116.95 1xbn h ASP 99 Ca 0.19 -0.09 0.20 0.00 -0.39 0.00 0.00 57.03 56.95 1xbn h ASP 99 Cb 0.32 0.14 -0.08 0.00 0.68 0.00 0.00 39.33 40.39 1xbn h ASP 99 CO -0.04 -0.16 0.61 -0.33 -1.61 0.00 0.00 179.24 177.70 1xbn h GLU 100 N -0.96 0.52 -0.26 0.28 5.08 -0.61 0.10 114.58 118.73 1xbn h GLU 100 Ca -0.06 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1xbn h GLU 100 Cb 0.59 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1xbn h GLU 100 CO 0.11 0.34 -0.10 0.28 -1.00 0.00 0.00 179.01 178.63 1xbn h VAL 101 N 0.53 1.29 0.00 3.13 2.07 -0.27 -2.13 116.25 120.88 1xbn h VAL 101 Ca 0.51 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1xbn h VAL 101 Cb 1.08 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1xbn h VAL 101 CO -0.24 0.36 -0.23 0.45 0.02 0.00 0.00 177.57 177.94 1xbn h HIS 102 N 0.25 0.00 0.24 1.57 3.86 0.11 -1.97 115.15 119.22 1xbn h HIS 102 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1xbn h HIS 102 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1xbn h HIS 102 CO 0.06 0.23 -0.12 -0.07 0.86 0.00 0.00 177.93 178.89 1xbn h LEU 103 N 0.00 -0.27 -0.51 2.43 3.38 -1.36 -2.91 115.31 116.07 1xbn h LEU 103 Ca -0.00 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.81 1xbn h LEU 103 Cb 0.46 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.18 1xbn h LEU 103 CO 0.03 0.20 -0.30 1.56 0.09 0.00 0.00 178.44 180.02 1xbn h GLN 104 N -0.85 -0.17 -0.99 1.13 4.20 -1.28 0.49 115.11 117.65 1xbn h GLN 104 Ca -0.03 0.01 0.35 0.00 0.06 0.00 0.00 58.65 59.04 1xbn h GLN 104 Cb 0.51 0.04 -0.17 0.00 0.30 0.00 0.00 27.48 28.16 1xbn h GLN 104 CO 0.05 -0.11 0.43 1.25 -0.67 0.00 0.00 178.83 179.78 1xbn h LEU 105 N -0.18 0.21 0.00 1.46 7.12 -1.38 -1.26 115.31 121.29 1xbn h LEU 105 Ca 0.22 0.24 0.00 0.00 0.13 0.00 0.00 57.88 58.46 1xbn h LEU 105 Cb 0.53 0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.93 1xbn h LEU 105 CO -0.61 -0.31 -1.00 0.41 -0.13 0.00 0.00 178.44 176.81 1xbn n THR 106 N -5.23 0.58 0.00 1.05 -1.04 0.13 -4.43 114.28 105.34 1xbn n THR 106 Ca 0.32 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1xbn n THR 106 Cb 1.05 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 1xbn n THR 106 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1xbn n LYS 107 N -2.61 0.00 -0.10 -2.82 3.00 0.97 -1.47 118.16 115.13 1xbn n LYS 107 Ca 0.00 0.19 0.06 0.00 -0.00 0.00 0.00 58.31 58.56 1xbn n LYS 107 Cb 0.54 -0.47 0.22 0.00 0.00 0.00 0.00 35.03 35.32 1xbn n LYS 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1xbn n MET 108 N -0.53 1.52 -3.16 1.64 2.81 -1.26 -4.56 117.12 113.58 1xbn n MET 108 Ca 0.00 -0.80 -0.43 0.00 -1.81 0.00 0.00 57.70 54.66 1xbn n MET 108 Cb 0.00 -1.24 -0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1xbn n MET 108 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1xbn n ILE 109 N 0.10 4.86 -0.91 2.02 -0.00 -0.54 -5.04 119.36 119.85 1xbn n ILE 109 Ca 0.10 -5.70 -0.29 0.00 -0.00 0.00 0.00 62.75 56.87 1xbn n ILE 109 Cb 0.21 -2.25 0.01 0.00 -0.00 0.00 0.00 39.64 37.61 1xbn n ILE 109 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1xbn n LYS 110 N 1.76 0.00 0.00 0.38 5.02 -1.26 -2.47 118.16 121.59 1xbn n LYS 110 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1xbn n LYS 110 Cb 0.35 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 1xbn n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xbn n GLY 111 N 1.94 1.38 3.78 0.72 0.00 -1.26 -4.97 105.19 106.77 1xbn n GLY 111 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1xbn n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xbn s ALA 112 N -1.42 2.91 -0.38 4.61 0.00 -1.03 -4.97 121.76 121.48 1xbn s ALA 112 Ca 0.00 0.80 0.12 0.00 0.00 0.00 0.00 51.96 52.88 1xbn s ALA 112 Cb 0.00 -3.33 0.34 0.00 0.00 0.00 0.00 23.12 20.13 1xbn s ALA 112 CO 0.00 -0.53 0.72 2.41 0.00 0.00 0.00 175.76 178.36 1xbn n THR 113 N -0.68 -0.14 -1.70 0.00 -1.04 -1.26 -5.04 114.28 104.41 1xbn n THR 113 Ca 0.08 -4.57 -0.31 0.00 -2.04 0.00 0.00 64.05 57.22 1xbn n THR 113 Cb 0.50 -0.41 0.04 0.00 -1.82 0.00 0.00 70.33 68.64 1xbn n THR 113 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xbn s PRO 114 N -2.36 3.15 0.90 -2.82 0.04 -1.26 -4.96 135.00 127.69 1xbn s PRO 114 Ca 0.40 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1xbn s PRO 114 Cb 0.34 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 33.00 1xbn s PRO 114 CO -0.08 -0.91 1.24 -1.25 0.04 0.00 0.00 177.00 176.03 1xbn s PRO 115 N -5.12 1.22 -0.10 0.56 0.04 -1.26 -5.00 135.00 125.33 1xbn s PRO 115 Ca 0.57 -0.11 -0.02 0.00 0.04 0.00 0.00 61.00 61.47 1xbn s PRO 115 Cb -0.13 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1xbn s PRO 115 CO 0.54 -2.07 0.00 0.50 0.04 0.00 0.00 177.00 176.01 1xbn s ARG 116 N -5.69 3.15 -0.34 4.56 6.06 -0.81 -4.85 118.95 121.03 1xbn s ARG 116 Ca 0.68 -0.42 0.15 0.00 -2.50 0.00 0.00 55.73 53.64 1xbn s ARG 116 Cb -0.08 -2.84 0.46 0.00 0.06 0.00 0.00 34.95 32.55 1xbn s ARG 116 CO 0.51 0.61 1.03 1.28 -2.50 0.00 0.00 175.30 176.23 1xbn n LEU 117 N 2.43 2.47 -4.68 -0.88 4.77 -1.25 -2.01 117.00 117.85 1xbn n LEU 117 Ca -0.18 -4.05 -0.45 0.00 -0.03 0.00 0.00 56.01 51.30 1xbn n LEU 117 Cb 0.53 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1xbn n LEU 117 CO 0.29 1.69 1.49 -0.38 -1.33 0.00 0.00 177.39 179.15 1xbn n ILE 118 N -0.27 0.52 -4.41 -0.08 -0.00 -1.10 -4.39 119.36 109.62 1xbn n ILE 118 Ca 0.18 -0.09 -0.24 0.00 -0.00 0.00 0.00 62.75 62.60 1xbn n ILE 118 Cb 0.79 -2.02 -0.10 0.00 -0.00 0.00 0.00 39.64 38.31 1xbn n ILE 118 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1xbn s ALA 119 N 3.50 2.83 -0.29 -1.39 0.00 -1.26 -0.84 121.76 124.31 1xbn s ALA 119 Ca 0.88 -1.77 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1xbn s ALA 119 Cb -0.57 -0.41 0.12 0.00 0.00 0.00 0.00 23.12 22.26 1xbn s ALA 119 CO 0.44 0.31 0.70 -1.59 0.00 0.00 0.00 175.76 175.61 1xbn s LYS 120 N -3.40 0.59 0.24 0.00 -2.85 -0.51 -4.96 119.74 108.86 1xbn s LYS 120 Ca 0.29 1.31 -0.31 0.00 -1.00 0.00 0.00 55.97 56.26 1xbn s LYS 120 Cb -0.06 0.60 -0.13 0.00 -2.06 0.00 0.00 37.83 36.18 1xbn s LYS 120 CO 0.15 -0.17 1.56 -2.30 0.10 0.00 0.00 175.35 174.70 1xbn n PRO 121 N 5.02 2.45 0.00 1.78 -0.02 -1.26 -1.15 135.00 141.81 1xbn n PRO 121 Ca -0.14 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1xbn n PRO 121 Cb 0.53 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1xbn n PRO 121 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1xbn n VAL 122 N 2.61 0.40 0.00 -1.45 0.24 0.10 -4.85 118.33 115.39 1xbn n VAL 122 Ca 0.12 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1xbn n VAL 122 Cb 0.34 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 1xbn n VAL 122 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xbn n ALA 123 N -0.20 0.00 -0.32 2.33 0.00 -0.88 -4.88 120.51 116.56 1xbn n ALA 123 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1xbn n ALA 123 Cb 0.16 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.97 1xbn n ALA 123 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xbn h LYS 124 N 0.00 0.17 -0.55 0.00 1.57 -1.99 -1.31 116.57 114.46 1xbn h LYS 124 Ca 0.00 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 1xbn h LYS 124 Cb 0.00 -0.04 -0.19 0.00 0.08 0.00 0.00 32.23 32.08 1xbn h LYS 124 CO 0.00 0.12 0.05 -0.40 -0.57 0.00 0.00 179.45 178.64 1xbn n ASP 125 N -5.23 3.32 -3.65 0.86 3.85 -1.26 -1.32 116.55 113.11 1xbn n ASP 125 Ca 0.26 -3.77 -0.11 0.00 -0.71 0.00 0.00 54.79 50.46 1xbn n ASP 125 Cb 0.83 -0.67 -0.08 0.00 -1.35 0.00 0.00 41.12 39.85 1xbn n ASP 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xbn s ALA 126 N -3.35 -1.66 0.39 2.12 0.00 -0.50 0.55 121.76 119.32 1xbn s ALA 126 Ca 0.49 2.03 0.08 0.00 0.00 0.00 0.00 51.96 54.56 1xbn s ALA 126 Cb 0.43 -1.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 1xbn s ALA 126 CO 0.02 -0.33 0.07 0.96 0.00 0.00 0.00 175.76 176.48 1xbn s ILE 127 N 0.91 2.32 -0.07 0.00 -4.36 -0.81 0.02 121.20 119.20 1xbn s ILE 127 Ca -0.04 -1.88 0.05 0.00 -0.26 0.00 0.00 60.65 58.51 1xbn s ILE 127 Cb -0.05 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.73 1xbn s ILE 127 CO -0.08 -0.07 -0.24 -1.61 0.24 0.00 0.00 174.94 173.18 1xbn s GLU 128 N -3.78 2.73 -0.01 0.37 2.02 -0.30 -0.74 118.70 118.98 1xbn s GLU 128 Ca 0.37 -0.89 0.06 0.00 0.02 0.00 0.00 54.97 54.53 1xbn s GLU 128 Cb 0.04 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 32.03 1xbn s GLU 128 CO 0.20 0.32 -0.19 1.41 0.02 0.00 0.00 175.26 177.02 1xbn s MET 129 N -0.01 1.51 -0.14 1.61 1.75 -0.35 -1.42 119.30 122.26 1xbn s MET 129 Ca -0.08 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 53.70 1xbn s MET 129 Cb -0.15 -1.46 0.02 0.00 2.84 0.00 0.00 34.83 36.08 1xbn s MET 129 CO 0.05 0.40 -0.16 -2.00 -0.65 0.00 0.00 175.02 172.66 1xbn s GLU 130 N -0.43 2.45 -0.18 4.11 2.12 -0.02 -0.74 118.70 126.00 1xbn s GLU 130 Ca 0.07 -0.63 -0.14 0.00 0.36 0.00 0.00 54.97 54.63 1xbn s GLU 130 Cb -0.07 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.14 1xbn s GLU 130 CO -0.01 -0.15 0.32 -0.47 -0.54 0.00 0.00 175.26 174.42 1xbn s TYR 131 N 1.21 3.41 -0.06 5.30 5.04 0.32 -2.70 117.35 129.87 1xbn s TYR 131 Ca -0.00 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1xbn s TYR 131 Cb -0.14 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.79 1xbn s TYR 131 CO -0.07 0.13 -0.05 0.08 -1.34 0.00 0.00 175.55 174.30 1xbn s VAL 132 N 0.84 0.63 -0.04 3.14 1.01 -0.85 -1.68 120.40 123.45 1xbn s VAL 132 Ca 0.17 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1xbn s VAL 132 Cb -0.14 -0.68 0.09 0.00 0.00 0.00 0.00 36.38 35.66 1xbn s VAL 132 CO 0.05 0.27 0.77 -0.55 0.00 0.00 0.00 175.10 175.64 1xbn s SER 133 N 1.24 -0.54 0.39 3.32 0.15 -0.70 -1.93 113.70 115.63 1xbn s SER 133 Ca -0.06 0.46 0.21 0.00 0.70 0.00 0.00 55.95 57.26 1xbn s SER 133 Cb -0.14 0.47 0.62 0.00 -1.71 0.00 0.00 66.02 65.27 1xbn s SER 133 CO -0.02 -0.60 1.70 0.11 1.20 0.00 0.00 173.24 175.63 1xbn h LYS 134 N 2.63 0.00 -6.62 5.44 6.56 -1.86 -0.46 116.57 122.27 1xbn h LYS 134 Ca -0.25 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 58.83 1xbn h LYS 134 Cb 1.18 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1xbn h LYS 134 CO 0.36 0.30 -0.06 1.03 -2.06 0.00 0.00 179.45 179.02 1xbn s ARG 135 N -3.43 3.66 -0.75 3.15 0.52 -1.26 -4.78 118.95 116.06 1xbn s ARG 135 Ca 0.02 0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 1xbn s ARG 135 Cb 0.09 -2.56 0.30 0.00 0.52 0.00 0.00 34.95 33.30 1xbn s ARG 135 CO 0.67 0.11 1.09 1.63 0.02 0.00 0.00 175.30 178.83 1xbn n LYS 136 N -1.17 3.52 -1.66 3.54 5.02 -1.26 -4.84 118.16 121.31 1xbn n LYS 136 Ca -0.01 -4.72 -0.40 0.00 -2.02 0.00 0.00 58.31 51.16 1xbn n LYS 136 Cb 0.54 -2.33 -0.01 0.00 -0.02 0.00 0.00 35.03 33.21 1xbn n LYS 136 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1xbn n MET 137 N 0.43 3.64 -0.02 1.97 2.81 -1.26 -4.66 117.12 120.03 1xbn n MET 137 Ca 0.32 -2.68 -0.06 0.00 -1.81 0.00 0.00 57.70 53.47 1xbn n MET 137 Cb 0.37 -2.91 0.14 0.00 -0.71 0.00 0.00 33.22 30.10 1xbn n MET 137 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1xbn h TYR 138 N 5.27 0.66 -0.15 2.03 0.99 -1.99 -1.43 116.97 122.34 1xbn h TYR 138 Ca 0.71 -0.17 -0.17 0.00 2.00 0.00 0.00 58.73 61.11 1xbn h TYR 138 Cb 0.42 -0.15 0.01 0.00 1.00 0.00 0.00 36.73 38.00 1xbn h TYR 138 CO 1.66 0.82 -0.58 -0.44 -0.00 0.00 0.00 178.16 179.62 1xbn h ASP 139 N 0.49 0.78 -0.25 3.88 5.19 -1.89 0.97 116.42 125.59 1xbn h ASP 139 Ca 0.06 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1xbn h ASP 139 Cb 0.79 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1xbn h ASP 139 CO 0.06 1.26 0.16 0.22 -3.12 0.00 0.00 179.24 177.82 1xbn h TYR 140 N 0.34 0.32 -0.36 4.55 -0.00 -1.59 -2.09 116.97 118.15 1xbn h TYR 140 Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 58.73 58.78 1xbn h TYR 140 Cb 1.21 -0.11 -0.08 0.00 -0.00 0.00 0.00 36.73 37.75 1xbn h TYR 140 CO 0.10 0.22 -0.23 0.35 -0.00 0.00 0.00 178.16 178.59 1xbn h PHE 141 N 0.32 -0.61 -0.96 -3.82 3.57 -1.08 -0.92 116.94 113.45 1xbn h PHE 141 Ca 0.09 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1xbn h PHE 141 Cb -0.02 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1xbn h PHE 141 CO -0.05 -0.31 0.62 -0.07 -2.23 0.00 0.00 178.31 176.27 1xbn h LEU 142 N -0.18 1.03 -0.90 0.59 -0.00 -0.61 -2.41 115.31 112.82 1xbn h LEU 142 Ca 0.18 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.99 1xbn h LEU 142 Cb 0.46 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.86 1xbn h LEU 142 CO -0.46 0.70 0.12 1.23 -0.00 0.00 0.00 178.44 180.03 1xbn h GLY 143 N 1.19 1.01 0.86 0.83 0.00 -0.49 -1.09 103.07 105.38 1xbn h GLY 143 Ca 0.39 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1xbn h GLY 143 CO -0.13 0.57 0.02 1.41 0.00 0.00 0.00 176.54 178.41 1xbn h LEU 144 N 0.89 0.07 -0.34 3.11 3.38 -0.85 1.97 115.31 123.54 1xbn h LEU 144 Ca 0.19 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1xbn h LEU 144 Cb 0.35 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1xbn h LEU 144 CO 0.00 0.21 -0.25 0.40 0.09 0.00 0.00 178.44 178.89 1xbn h ILE 145 N -0.07 0.35 -0.44 1.22 2.04 -1.36 0.39 117.51 119.63 1xbn h ILE 145 Ca 0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 1xbn h ILE 145 Cb 0.16 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1xbn h ILE 145 CO -0.00 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.88 1xbn h GLU 146 N -0.21 0.74 -0.94 2.37 5.08 -0.00 -2.18 114.58 119.43 1xbn h GLU 146 Ca 0.17 -0.21 0.23 0.00 -1.00 0.00 0.00 59.36 58.55 1xbn h GLU 146 Cb 0.48 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 1xbn h GLU 146 CO -0.46 0.78 0.63 0.78 -1.00 0.00 0.00 179.01 179.73 1xbn h GLY 147 N 0.60 0.83 0.51 -3.84 0.00 0.39 -0.17 103.07 101.40 1xbn h GLY 147 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xbn h GLY 147 CO 0.01 -0.03 -0.03 1.76 0.00 0.00 0.00 176.54 178.25 1xbn h SER 148 N 0.35 -0.08 -1.10 0.19 0.02 0.07 -2.34 113.55 110.66 1xbn h SER 148 Ca 0.50 -0.42 0.31 0.00 -0.84 0.00 0.00 61.79 61.33 1xbn h SER 148 Cb 1.33 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.79 1xbn h SER 148 CO -0.18 0.40 0.72 -1.28 -1.14 0.00 0.00 176.83 175.35 1xbn h SER 149 N -0.58 0.37 0.03 3.07 0.87 -0.43 -1.59 113.55 115.29 1xbn h SER 149 Ca -0.01 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1xbn h SER 149 Cb 0.50 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1xbn h SER 149 CO 0.02 0.03 -0.30 0.11 -0.53 0.00 0.00 176.83 176.15 1xbn h LYS 150 N 0.30 0.14 -0.80 2.24 6.56 -1.15 -1.27 116.57 122.59 1xbn h LYS 150 Ca 0.64 -0.20 -0.01 0.00 -1.06 0.00 0.00 60.65 60.02 1xbn h LYS 150 Cb 1.78 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 33.46 1xbn h LYS 150 CO -0.30 1.02 0.46 0.35 -2.06 0.00 0.00 179.45 178.92 1xbn h PHE 151 N -0.64 1.07 -0.00 -1.35 3.57 -1.07 -2.26 116.94 116.26 1xbn h PHE 151 Ca -0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1xbn h PHE 151 Cb 1.15 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1xbn h PHE 151 CO 0.22 0.73 -0.31 1.19 -2.23 0.00 0.00 178.31 177.91 1xbn n PHE 152 N -4.36 0.00 -3.43 0.41 3.01 -0.63 -4.98 117.46 107.47 1xbn n PHE 152 Ca 0.08 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.38 1xbn n PHE 152 Cb 0.08 -0.18 0.02 0.00 -0.01 0.00 0.00 39.48 39.40 1xbn n PHE 152 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xbn n LYS 153 N -0.96 -1.43 -3.56 -1.08 5.02 -0.55 -4.90 118.16 110.70 1xbn n LYS 153 Ca 0.10 0.95 -0.19 0.00 -2.02 0.00 0.00 58.31 57.16 1xbn n LYS 153 Cb 0.34 -4.47 -0.14 0.00 -0.02 0.00 0.00 35.03 30.73 1xbn n LYS 153 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xbn s GLU 154 N -4.48 0.13 0.38 1.97 2.02 -0.79 -5.04 118.70 112.88 1xbn s GLU 154 Ca 0.19 0.26 -0.26 0.00 0.02 0.00 0.00 54.97 55.18 1xbn s GLU 154 Cb -0.06 -1.04 -0.09 0.00 0.10 0.00 0.00 34.13 33.05 1xbn s GLU 154 CO 0.82 -0.56 1.21 -1.21 0.02 0.00 0.00 175.26 175.54 1xbn s GLU 155 N 2.29 4.13 0.12 1.61 2.02 -1.26 -4.69 118.70 122.93 1xbn s GLU 155 Ca 0.05 1.96 -0.06 0.00 0.02 0.00 0.00 54.97 56.94 1xbn s GLU 155 Cb -0.15 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.26 1xbn s GLU 155 CO -0.10 -0.29 0.17 0.96 0.02 0.00 0.00 175.26 176.02 1xbn s ILE 156 N -1.31 0.11 -0.01 -1.63 -4.36 -1.26 -1.93 121.20 110.81 1xbn s ILE 156 Ca 0.55 -1.52 0.07 0.00 -0.26 0.00 0.00 60.65 59.49 1xbn s ILE 156 Cb -0.34 -1.74 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 1xbn s ILE 156 CO 0.43 -0.51 -0.24 -0.94 0.24 0.00 0.00 174.94 173.93 1xbn s SER 157 N -2.96 2.79 -0.01 4.36 1.04 -0.28 -4.96 113.70 113.68 1xbn s SER 157 Ca 0.15 -0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.21 1xbn s SER 157 Cb 0.05 -0.30 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 1xbn s SER 157 CO -0.03 0.28 -0.25 -0.69 0.98 0.00 0.00 173.24 173.53 1xbn s VAL 158 N -0.59 1.97 -0.04 5.02 1.01 -1.26 -0.50 120.40 126.00 1xbn s VAL 158 Ca 0.09 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 1xbn s VAL 158 Cb -0.09 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1xbn s VAL 158 CO -0.01 0.53 0.19 -1.83 0.00 0.00 0.00 175.10 173.99 1xbn s GLU 159 N -0.64 0.37 -0.06 2.72 -1.05 -0.56 -4.96 118.70 114.51 1xbn s GLU 159 Ca 0.10 -0.00 -0.25 0.00 -0.15 0.00 0.00 54.97 54.66 1xbn s GLU 159 Cb -0.10 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 1xbn s GLU 159 CO -0.01 -0.07 0.79 -2.00 0.95 0.00 0.00 175.26 174.92 1xbn s GLU 160 N -0.56 4.45 -0.20 -4.83 2.12 -1.26 0.61 118.70 119.03 1xbn s GLU 160 Ca -0.06 1.04 -0.19 0.00 0.36 0.00 0.00 54.97 56.12 1xbn s GLU 160 Cb -0.04 -3.47 -0.15 0.00 0.26 0.00 0.00 34.13 30.73 1xbn s GLU 160 CO 0.01 -0.02 0.08 0.28 -0.54 0.00 0.00 175.26 175.07 1xbn n VAL 161 N 3.94 1.51 -3.80 3.70 0.31 0.57 -4.88 118.33 119.68 1xbn n VAL 161 Ca 0.01 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.30 1xbn n VAL 161 Cb 0.51 -2.10 -0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1xbn n VAL 161 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1xbn s GLU 162 N -2.36 1.41 0.16 5.55 -1.05 -1.11 -5.02 118.70 116.28 1xbn s GLU 162 Ca -0.27 -0.83 -0.18 0.00 -0.15 0.00 0.00 54.97 53.54 1xbn s GLU 162 Cb 0.06 0.45 0.04 0.00 -0.44 0.00 0.00 34.13 34.24 1xbn s GLU 162 CO 0.51 -0.65 0.50 -0.98 0.95 0.00 0.00 175.26 175.59 1xbn s ARG 163 N -2.99 1.24 0.00 -4.83 1.70 -1.26 -1.21 118.95 111.60 1xbn s ARG 163 Ca 0.15 -0.70 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 1xbn s ARG 163 Cb -0.03 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 1xbn s ARG 163 CO 0.05 -0.52 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1xbn n GLY 164 N -0.31 -1.23 2.89 3.88 0.00 -0.35 -5.00 105.19 105.08 1xbn n GLY 164 Ca -0.14 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1xbn n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xbn s GLU 165 N -0.69 0.06 -0.02 1.61 2.02 -1.26 -1.33 118.70 119.09 1xbn s GLU 165 Ca 0.00 0.25 -0.01 0.00 0.02 0.00 0.00 54.97 55.23 1xbn s GLU 165 Cb 0.00 -0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.10 1xbn s GLU 165 CO 0.00 -0.12 0.05 0.21 0.02 0.00 0.00 175.26 175.41 1xbn s LYS 166 N 0.84 0.04 -1.25 1.61 2.20 -0.59 -4.85 119.74 117.74 1xbn s LYS 166 Ca -0.07 0.10 -0.14 0.00 -0.36 0.00 0.00 55.97 55.50 1xbn s LYS 166 Cb -0.09 -0.02 0.13 0.00 -1.51 0.00 0.00 37.83 36.34 1xbn s LYS 166 CO -0.03 -0.04 0.44 -0.25 -0.36 0.00 0.00 175.35 175.11 1xbn n ASP 167 N 3.26 -2.24 0.00 1.43 8.00 -1.26 -0.44 116.55 125.31 1xbn n ASP 167 Ca -0.15 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1xbn n ASP 167 Cb 0.58 -1.93 0.00 0.00 -0.02 0.00 0.00 41.12 39.75 1xbn n ASP 167 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xbn n GLY 168 N -0.98 0.78 3.79 0.44 0.00 -1.26 -5.04 105.19 102.91 1xbn n GLY 168 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1xbn n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xbn s PHE 169 N -2.77 3.07 -0.14 1.61 0.40 0.42 -4.77 117.98 115.80 1xbn s PHE 169 Ca 0.00 -0.09 -0.08 0.00 -0.60 0.00 0.00 56.93 56.16 1xbn s PHE 169 Cb 0.00 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1xbn s PHE 169 CO 0.00 0.53 0.13 -1.12 0.70 0.00 0.00 175.22 175.46 1xbn s SER 170 N -3.54 6.32 0.09 1.36 0.01 -0.18 -1.53 113.70 116.22 1xbn s SER 170 Ca 0.32 0.41 0.08 0.00 1.31 0.00 0.00 55.95 58.06 1xbn s SER 170 Cb -0.08 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 1xbn s SER 170 CO 0.24 0.35 -0.21 -0.13 0.41 0.00 0.00 173.24 173.90 1xbn s ARG 171 N -0.70 1.23 -0.09 12.44 0.52 -0.44 -1.73 118.95 130.18 1xbn s ARG 171 Ca 0.13 -1.12 -0.04 0.00 -0.52 0.00 0.00 55.73 54.18 1xbn s ARG 171 Cb -0.12 -1.47 0.05 0.00 0.52 0.00 0.00 34.95 33.93 1xbn s ARG 171 CO 0.03 0.35 0.20 -1.17 0.02 0.00 0.00 175.30 174.72 1xbn s LEU 172 N -1.72 0.11 -0.14 2.53 2.96 -0.68 -1.21 118.68 120.54 1xbn s LEU 172 Ca 0.07 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1xbn s LEU 172 Cb -0.10 0.47 -0.02 0.00 0.50 0.00 0.00 46.19 47.04 1xbn s LEU 172 CO 0.04 -0.21 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.01 1xbn s LYS 173 N 1.93 3.49 0.19 1.98 2.20 -0.35 -0.52 119.74 128.65 1xbn s LYS 173 Ca -0.02 -0.62 0.09 0.00 -0.36 0.00 0.00 55.97 55.06 1xbn s LYS 173 Cb -0.12 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1xbn s LYS 173 CO -0.07 0.23 -0.18 0.14 -0.36 0.00 0.00 175.35 175.11 1xbn s VAL 174 N 0.33 1.93 -0.20 4.02 -7.23 0.08 -0.31 120.40 119.01 1xbn s VAL 174 Ca -0.08 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 1xbn s VAL 174 Cb -0.15 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1xbn s VAL 174 CO 0.05 -0.35 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.85 1xbn s ARG 175 N -2.98 3.45 -0.28 4.82 3.52 0.20 -1.21 118.95 126.48 1xbn s ARG 175 Ca 0.19 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 55.15 1xbn s ARG 175 Cb -0.05 -2.97 0.03 0.00 -1.56 0.00 0.00 34.95 30.39 1xbn s ARG 175 CO 0.08 -0.07 0.00 0.42 -0.81 0.00 0.00 175.30 174.92 1xbn s ILE 176 N 1.16 3.27 -0.18 4.11 1.01 0.08 -1.49 121.20 129.15 1xbn s ILE 176 Ca 0.02 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 1xbn s ILE 176 Cb -0.14 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1xbn s ILE 176 CO -0.00 0.08 0.05 -0.75 0.00 0.00 0.00 174.94 174.31 1xbn s LYS 177 N 1.36 3.94 -0.12 2.79 2.20 0.35 -1.93 119.74 128.33 1xbn s LYS 177 Ca -0.00 -0.36 -0.10 0.00 -0.36 0.00 0.00 55.97 55.14 1xbn s LYS 177 Cb -0.18 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1xbn s LYS 177 CO -0.01 0.26 0.22 -0.06 -0.36 0.00 0.00 175.35 175.40 1xbn s PHE 178 N 0.38 3.57 0.14 4.03 0.40 0.19 -1.12 117.98 125.58 1xbn s PHE 178 Ca 0.02 0.60 -0.25 0.00 -0.60 0.00 0.00 56.93 56.70 1xbn s PHE 178 Cb -0.13 -2.11 -0.00 0.00 0.51 0.00 0.00 43.02 41.29 1xbn s PHE 178 CO 0.00 0.57 1.61 1.57 0.70 0.00 0.00 175.22 179.67 1xbn h LYS 179 N 5.46 -0.35 -5.07 0.44 -0.00 -1.70 -3.40 116.57 111.95 1xbn h LYS 179 Ca -0.50 0.02 -0.66 0.00 -0.00 0.00 0.00 60.65 59.52 1xbn h LYS 179 Cb 1.20 0.08 -0.27 0.00 -0.00 0.00 0.00 32.23 33.24 1xbn h LYS 179 CO 0.64 -0.23 -0.73 -0.80 -0.00 0.00 0.00 179.45 178.33 1xbn s ASN 180 N -4.96 4.29 0.45 7.07 -0.87 -1.26 -5.09 114.94 114.57 1xbn s ASN 180 Ca -0.15 -0.36 -0.22 0.00 -1.57 0.00 0.00 52.86 50.55 1xbn s ASN 180 Cb 0.11 -1.72 -0.11 0.00 -0.02 0.00 0.00 41.25 39.51 1xbn s ASN 180 CO 0.66 0.02 0.73 -0.81 -2.57 0.00 0.00 177.10 175.14 1xbn n PRO 181 N 4.51 0.85 0.00 -0.60 -0.04 -1.26 -4.91 135.00 133.54 1xbn n PRO 181 Ca -0.18 0.31 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 1xbn n PRO 181 Cb 0.51 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1xbn n PRO 181 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xbn n VAL 182 N -0.90 0.00 -4.34 0.52 0.24 -0.45 -4.94 118.33 108.47 1xbn n VAL 182 Ca 0.11 -0.37 -0.18 0.00 -2.04 0.00 0.00 64.34 61.87 1xbn n VAL 182 Cb 0.41 1.09 -0.10 0.00 -1.47 0.00 0.00 33.84 33.77 1xbn n VAL 182 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xbn s PHE 183 N -1.50 1.65 0.08 6.34 0.40 -0.44 -2.31 117.98 122.20 1xbn s PHE 183 Ca 0.07 -0.62 -0.08 0.00 -0.60 0.00 0.00 56.93 55.70 1xbn s PHE 183 Cb 0.08 -0.79 -0.00 0.00 0.51 0.00 0.00 43.02 42.81 1xbn s PHE 183 CO 0.29 0.30 0.17 -1.83 0.70 0.00 0.00 175.22 174.85 1xbn s GLU 184 N -3.67 0.82 -0.13 0.44 -1.05 0.21 -4.53 118.70 110.77 1xbn s GLU 184 Ca 0.22 -0.96 -0.28 0.00 -0.15 0.00 0.00 54.97 53.81 1xbn s GLU 184 Cb 0.00 0.33 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 1xbn s GLU 184 CO 0.06 -0.25 0.92 0.71 0.95 0.00 0.00 175.26 177.65 1xbn s TYR 185 N -3.79 3.47 0.15 4.83 4.12 -1.26 0.10 117.35 124.97 1xbn s TYR 185 Ca 0.05 1.44 -0.04 0.00 0.02 0.00 0.00 57.07 58.53 1xbn s TYR 185 Cb 0.05 -3.10 -0.05 0.00 -1.52 0.00 0.00 41.96 37.33 1xbn s TYR 185 CO -0.11 -0.23 0.38 0.15 0.02 0.00 0.00 175.55 175.77 1xbn s LYS 186 N 2.06 3.61 0.00 -0.62 1.02 -1.26 -5.01 119.74 119.55 1xbn s LYS 186 Ca 0.44 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.31 1xbn s LYS 186 Cb -0.17 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1xbn s LYS 186 CO 0.15 0.46 0.75 1.63 -0.92 0.00 0.00 175.35 177.42 1xbn n LYS 187 N 0.00 0.00 -1.76 1.68 4.01 -1.26 -2.21 118.16 118.61 1xbn n LYS 187 Ca -0.03 0.61 -0.34 0.00 -0.51 0.00 0.00 58.31 58.04 1xbn n LYS 187 Cb 0.52 -1.25 0.05 0.00 -0.51 0.00 0.00 35.03 33.84 1xbn n LYS 187 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1xbn n ASN 188 N -1.79 6.88 -4.00 4.39 5.03 -1.26 -4.88 115.26 119.63 1xbn n ASN 188 Ca 0.00 -3.79 -0.22 0.00 0.87 0.00 0.00 54.58 51.43 1xbn n ASN 188 Cb 0.00 -0.85 -0.16 0.00 -1.02 0.00 0.00 39.78 37.75 1xbn n ASN 188 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1xbn s VAL 189 N -4.96 0.94 0.06 2.41 1.01 -0.94 -5.12 120.40 113.80 1xbn s VAL 189 Ca 0.57 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1xbn s VAL 189 Cb 0.46 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1xbn s VAL 189 CO -0.16 0.30 0.97 0.86 0.00 0.00 0.00 175.10 177.07 1xbn s TRP 190 N 0.48 3.74 0.00 5.22 -0.00 -1.26 -4.28 118.94 122.84 1xbn s TRP 190 Ca -0.09 1.76 0.00 0.00 -0.00 0.00 0.00 56.10 57.76 1xbn s TRP 190 Cb -0.13 -3.09 0.00 0.00 -0.00 0.00 0.00 33.47 30.26 1xbn s TRP 190 CO 0.02 0.11 0.00 0.41 -0.00 0.00 0.00 176.95 177.48 1xbn n GLY 191 N 2.54 -0.10 3.62 5.86 0.00 -1.26 -4.87 105.19 110.97 1xbn n GLY 191 Ca 0.04 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1xbn n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xbn s LEU 192 N -1.84 3.79 -0.16 0.99 1.43 -1.26 -4.57 118.68 117.06 1xbn s LEU 192 Ca 0.00 1.60 -0.09 0.00 -1.03 0.00 0.00 54.13 54.61 1xbn s LEU 192 Cb 0.00 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 1xbn s LEU 192 CO 0.00 -1.40 0.13 -0.69 0.23 0.00 0.00 176.35 174.62 1xbn s VAL 193 N 5.76 5.45 -0.53 -1.59 1.01 0.12 -4.81 120.40 125.80 1xbn s VAL 193 Ca 0.76 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.67 1xbn s VAL 193 Cb -0.25 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1xbn s VAL 193 CO 0.31 0.53 2.42 -2.16 0.00 0.00 0.00 175.10 176.20 1xbn s PRO 194 N -0.30 2.02 0.00 2.72 0.04 -1.26 0.63 135.00 138.85 1xbn s PRO 194 Ca 0.11 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1xbn s PRO 194 Cb -0.11 -4.61 0.24 0.00 0.04 0.00 0.00 34.50 30.06 1xbn s PRO 194 CO 0.01 -3.44 0.72 2.89 0.04 0.00 0.00 177.00 177.22