#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4q n VAL 3 N 0.00 0.84 0.18 0.00 3.14 -1.26 -4.50 118.33 116.73 1m4q n VAL 3 Ca 0.00 -0.50 0.07 0.00 -2.96 0.00 0.00 64.34 60.95 1m4q n VAL 3 Cb 0.00 -0.70 0.15 0.00 -1.06 0.00 0.00 33.84 32.23 1m4q n VAL 3 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1m4q h SER 4 N 0.00 0.00 -0.80 6.55 0.87 -2.04 -3.29 113.55 114.84 1m4q h SER 4 Ca -0.33 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.36 1m4q h SER 4 Cb 1.74 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.61 1m4q h SER 4 CO 0.01 0.26 0.39 -0.08 -0.53 0.00 0.00 176.83 176.88 1m4q h GLU 5 N 0.00 0.57 -0.65 2.24 4.81 -1.99 0.26 114.58 119.81 1m4q h GLU 5 Ca -0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1m4q h GLU 5 Cb 1.14 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1m4q h GLU 5 CO 0.03 0.38 0.41 1.03 -0.73 0.00 0.00 179.01 180.13 1m4q h SER 6 N 0.58 0.67 -0.20 1.04 0.87 -1.84 -0.45 113.55 114.22 1m4q h SER 6 Ca 0.43 -0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.82 1m4q h SER 6 Cb 0.57 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1m4q h SER 6 CO -0.35 0.47 -0.45 -0.61 -0.53 0.00 0.00 176.83 175.36 1m4q h GLN 7 N 0.81 0.76 0.67 2.24 4.15 -1.30 -2.56 115.11 119.88 1m4q h GLN 7 Ca 0.26 -0.43 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 1m4q h GLN 7 Cb 0.01 0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.73 1m4q h GLN 7 CO -0.10 1.06 -0.32 1.25 -1.93 0.00 0.00 178.83 178.79 1m4q h LEU 8 N 0.61 -0.76 -1.16 -2.39 5.85 -0.02 0.54 115.31 117.98 1m4q h LEU 8 Ca 0.04 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1m4q h LEU 8 Cb 1.02 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 1m4q h LEU 8 CO 0.10 -0.54 0.59 0.50 -0.34 0.00 0.00 178.44 178.76 1m4q h LYS 9 N -0.91 0.85 0.00 1.25 3.64 -1.14 0.07 116.57 120.33 1m4q h LYS 9 Ca -0.09 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 1m4q h LYS 9 Cb 0.69 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1m4q h LYS 9 CO 0.15 0.56 -0.49 0.87 -2.27 0.00 0.00 179.45 178.27 1m4q h LYS 10 N 0.88 0.00 0.00 1.90 1.79 -1.18 -2.37 116.57 117.59 1m4q h LYS 10 Ca 0.44 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.91 1m4q h LYS 10 Cb 0.50 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1m4q h LYS 10 CO -0.21 0.49 -0.02 0.52 -1.08 0.00 0.00 179.45 179.15 1m4q h MET 11 N 0.00 0.00 0.00 3.15 2.86 0.12 -3.37 114.93 117.69 1m4q h MET 11 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1m4q h MET 11 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1m4q h MET 11 CO 0.06 0.02 0.00 1.33 1.06 0.00 0.00 176.91 179.39 1m4q n VAL 12 N -3.71 0.00 -1.58 -2.22 0.24 -1.09 -4.95 118.33 105.03 1m4q n VAL 12 Ca -0.03 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.11 1m4q n VAL 12 Cb 0.11 -0.64 -0.07 0.00 -1.47 0.00 0.00 33.84 31.78 1m4q n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1m4q n SER 13 N -0.75 -4.45 0.00 -1.34 7.64 -0.91 -4.61 113.62 109.20 1m4q n SER 13 Ca 0.00 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1m4q n SER 13 Cb 0.00 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m4q n LYS 14 N -2.18 0.00 -1.96 1.43 5.02 -1.26 -5.13 118.16 114.07 1m4q n LYS 14 Ca -0.17 -0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 55.72 1m4q n LYS 14 Cb 0.56 -0.10 0.02 0.00 -0.02 0.00 0.00 35.03 35.49 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1m4q s TYR 15 N 0.00 2.88 0.47 2.13 1.51 -1.26 -4.93 117.35 118.15 1m4q s TYR 15 Ca 0.00 1.52 0.13 0.00 -1.01 0.00 0.00 57.07 57.72 1m4q s TYR 15 Cb 0.00 -3.06 1.09 0.00 -0.11 0.00 0.00 41.96 39.89 1m4q s TYR 15 CO 0.00 -1.29 2.08 -0.22 -1.11 0.00 0.00 175.55 175.01 1m4q h LYS 16 N 0.33 0.13 -2.02 -0.62 3.64 -1.96 -3.20 116.57 112.86 1m4q h LYS 16 Ca -0.47 -0.01 -0.49 0.00 -1.27 0.00 0.00 60.65 58.41 1m4q h LYS 16 Cb 1.23 -0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.62 1m4q h LYS 16 CO 0.56 0.14 -1.16 0.66 -2.27 0.00 0.00 179.45 177.38 1m4q n TYR 17 N -4.46 0.42 -0.24 1.91 4.02 -1.26 -4.97 117.16 112.58 1m4q n TYR 17 Ca -0.02 -3.83 0.03 0.00 -0.01 0.00 0.00 57.90 54.08 1m4q n TYR 17 Cb 0.13 -0.42 0.13 0.00 -0.02 0.00 0.00 39.34 39.16 1m4q n TYR 17 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1m4q h ARG 18 N 3.00 0.08 0.26 -0.72 2.43 -1.91 0.66 114.38 118.20 1m4q h ARG 18 Ca 0.10 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1m4q h ARG 18 Cb 0.94 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1m4q h ARG 18 CO 0.52 0.06 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.40 1m4q h ASP 19 N 0.09 -0.52 0.43 -3.80 3.32 -1.93 0.82 116.42 114.83 1m4q h ASP 19 Ca 0.38 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 1m4q h ASP 19 Cb 0.64 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1m4q h ASP 19 CO -0.64 -0.31 -0.11 0.25 -1.72 0.00 0.00 179.24 176.71 1m4q h LEU 20 N -0.47 0.00 0.12 1.55 5.85 -1.66 -0.65 115.31 120.06 1m4q h LEU 20 Ca -0.02 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.48 1m4q h LEU 20 Cb 0.41 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.45 1m4q h LEU 20 CO -0.01 0.11 -1.07 0.74 -0.34 0.00 0.00 178.44 177.87 1m4q h THR 21 N 0.00 1.29 -0.38 1.05 2.02 1.00 -3.11 112.91 114.78 1m4q h THR 21 Ca -0.00 -2.46 -0.05 0.00 0.77 0.00 0.00 66.41 64.67 1m4q h THR 21 Cb 0.35 2.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1m4q h THR 21 CO 0.01 0.70 0.05 0.58 0.37 0.00 0.00 175.52 177.23 1m4q h VAL 22 N -0.38 1.24 -0.56 3.16 2.07 0.84 -1.74 116.25 120.89 1m4q h VAL 22 Ca -0.22 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.44 1m4q h VAL 22 Cb 1.67 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 1m4q h VAL 22 CO 0.10 0.30 0.36 -0.09 0.02 0.00 0.00 177.57 178.25 1m4q h ARG 23 N 0.47 0.69 -0.53 1.57 2.43 -1.27 -0.40 114.38 117.35 1m4q h ARG 23 Ca 0.11 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1m4q h ARG 23 Cb 0.38 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1m4q h ARG 23 CO 0.01 0.46 0.22 0.93 -1.51 0.00 0.00 179.97 180.08 1m4q h GLU 24 N 0.72 0.79 0.83 0.20 5.08 -1.46 -1.35 114.58 119.39 1m4q h GLU 24 Ca 0.21 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1m4q h GLU 24 Cb -0.04 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.09 1m4q h GLU 24 CO -0.07 0.68 -0.40 1.15 -1.00 0.00 0.00 179.01 179.38 1m4q h THR 25 N 0.72 0.17 -0.85 1.13 2.02 -0.89 -2.45 112.91 112.77 1m4q h THR 25 Ca 0.18 -0.02 0.12 0.00 0.77 0.00 0.00 66.41 67.46 1m4q h THR 25 Cb 0.18 0.18 -0.08 0.00 -1.74 0.00 0.00 68.15 66.68 1m4q h THR 25 CO -0.02 0.00 0.46 -0.37 0.37 0.00 0.00 175.52 175.97 1m4q h VAL 26 N -1.13 0.82 -0.77 3.16 -1.51 -1.06 -1.12 116.25 114.63 1m4q h VAL 26 Ca -0.11 -0.25 0.08 0.00 -1.23 0.00 0.00 66.70 65.19 1m4q h VAL 26 Cb 0.86 0.04 -0.07 0.00 -2.13 0.00 0.00 31.29 29.99 1m4q h VAL 26 CO 0.19 0.13 0.43 0.78 -1.23 0.00 0.00 177.57 177.87 1m4q h ASN 27 N 0.72 0.63 0.53 4.19 4.21 -1.10 0.87 115.58 125.62 1m4q h ASN 27 Ca 0.44 0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.96 1m4q h ASN 27 Cb 0.52 -0.08 0.01 0.00 -1.12 0.00 0.00 38.32 37.65 1m4q h ASN 27 CO -0.31 0.38 -0.26 0.58 -1.29 0.00 0.00 177.43 176.53 1m4q h VAL 28 N 0.75 0.41 -0.49 2.81 2.07 -0.73 -0.32 116.25 120.75 1m4q h VAL 28 Ca 0.36 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 1m4q h VAL 28 Cb 0.30 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1m4q h VAL 28 CO -0.23 0.04 0.07 0.16 0.02 0.00 0.00 177.57 177.63 1m4q h ILE 29 N -0.91 1.23 0.00 4.57 3.07 -1.19 0.29 117.51 124.57 1m4q h ILE 29 Ca -0.07 -0.88 -0.07 0.00 1.55 0.00 0.00 64.86 65.39 1m4q h ILE 29 Cb 0.62 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 37.94 1m4q h ILE 29 CO 0.12 0.32 -0.35 0.74 -1.05 0.00 0.00 178.15 177.93 1m4q h THR 30 N 0.74 1.06 0.08 0.16 2.02 0.80 1.00 112.91 118.77 1m4q h THR 30 Ca 0.16 -1.27 -0.28 0.00 0.77 0.00 0.00 66.41 65.78 1m4q h THR 30 Cb 0.35 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1m4q h THR 30 CO 0.01 0.34 -1.52 0.25 0.37 0.00 0.00 175.52 174.97 1m4q h LEU 31 N 0.00 0.27 0.00 2.58 5.85 -0.50 -3.41 115.31 120.10 1m4q h LEU 31 Ca -0.00 -0.78 -0.07 0.00 0.84 0.00 0.00 57.88 57.86 1m4q h LEU 31 Cb 0.70 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1m4q h LEU 31 CO 0.05 1.64 -0.41 1.88 -0.34 0.00 0.00 178.44 181.26 1m4q h TYR 32 N -0.41 0.00 0.00 1.25 0.05 -0.45 -3.48 116.97 113.92 1m4q h TYR 32 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1m4q h TYR 32 Cb 1.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.43 1m4q h TYR 32 CO 0.11 1.06 0.00 0.36 -1.05 0.00 0.00 178.16 178.64 1m4q n LYS 33 N -4.57 -0.53 -0.01 4.88 -0.00 0.35 -4.80 118.16 113.48 1m4q n LYS 33 Ca -0.16 0.13 0.02 0.00 -0.00 0.00 0.00 58.31 58.30 1m4q n LYS 33 Cb 0.51 -3.57 -0.05 0.00 -0.00 0.00 0.00 35.03 31.92 1m4q n LYS 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1m4q n ASP 34 N -0.27 3.63 -4.92 -5.58 9.92 -1.26 -5.04 116.55 113.04 1m4q n ASP 34 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 1m4q n ASP 34 Cb 0.13 1.19 0.05 0.00 -0.64 0.00 0.00 41.12 41.86 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1m4q s LEU 35 N -3.54 2.99 -0.17 0.64 1.02 -1.26 -3.99 118.68 114.37 1m4q s LEU 35 Ca -0.02 0.58 -0.07 0.00 0.02 0.00 0.00 54.13 54.64 1m4q s LEU 35 Cb 0.04 -3.31 0.08 0.00 0.02 0.00 0.00 46.19 43.01 1m4q s LEU 35 CO 0.25 -1.37 0.37 -0.75 0.02 0.00 0.00 176.35 174.86 1m4q s LYS 36 N -5.14 0.28 0.02 1.70 2.47 0.23 -4.87 119.74 114.43 1m4q s LYS 36 Ca 0.58 0.89 -0.30 0.00 -1.56 0.00 0.00 55.97 55.58 1m4q s LYS 36 Cb -0.11 0.15 -0.08 0.00 -1.46 0.00 0.00 37.83 36.34 1m4q s LYS 36 CO 0.45 -0.24 1.83 -1.25 0.16 0.00 0.00 175.35 176.30 1m4q s PRO 37 N 2.29 4.16 -0.03 4.03 0.04 -1.26 -3.17 135.00 141.06 1m4q s PRO 37 Ca -0.03 2.46 0.02 0.00 0.04 0.00 0.00 61.00 63.49 1m4q s PRO 37 Cb -0.11 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 1m4q s PRO 37 CO -0.11 -0.89 -0.06 0.54 0.04 0.00 0.00 177.00 176.52 1m4q s VAL 38 N 3.98 3.76 -0.80 -0.36 0.11 0.14 -4.98 120.40 122.25 1m4q s VAL 38 Ca 0.82 -0.62 -0.18 0.00 -2.93 0.00 0.00 61.98 59.07 1m4q s VAL 38 Cb -0.40 -2.60 0.15 0.00 -1.53 0.00 0.00 36.38 32.00 1m4q s VAL 38 CO 0.37 0.48 0.91 -0.22 -3.33 0.00 0.00 175.10 173.30 1m4q s LEU 39 N -1.18 5.59 0.49 2.54 1.98 -1.26 -0.05 118.68 126.79 1m4q s LEU 39 Ca 0.15 -2.02 -0.12 0.00 -2.89 0.00 0.00 54.13 49.26 1m4q s LEU 39 Cb -0.11 -2.32 -0.06 0.00 0.66 0.00 0.00 46.19 44.36 1m4q s LEU 39 CO 0.05 -0.96 0.90 -0.62 -1.89 0.00 0.00 176.35 173.83 1m4q s ASP 40 N 3.23 6.47 -0.30 3.68 -1.08 0.19 -4.94 116.67 123.92 1m4q s ASP 40 Ca 0.23 1.32 -0.11 0.00 -0.52 0.00 0.00 52.55 53.46 1m4q s ASP 40 Cb -0.12 -2.41 0.15 0.00 -1.46 0.00 0.00 42.92 39.08 1m4q s ASP 40 CO -0.04 -0.57 0.80 -0.55 0.52 0.00 0.00 175.17 175.33 1m4q s SER 41 N -3.43 -0.90 0.19 -0.34 0.15 -1.25 -1.08 113.70 107.03 1m4q s SER 41 Ca 0.54 1.14 -0.01 0.00 0.70 0.00 0.00 55.95 58.33 1m4q s SER 41 Cb -0.10 1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 66.15 1m4q s SER 41 CO 0.37 -0.17 0.10 -0.47 1.20 0.00 0.00 173.24 174.27 1m4q s TYR 42 N 2.71 1.13 0.27 3.44 5.04 -1.18 -4.83 117.35 123.94 1m4q s TYR 42 Ca -0.02 -1.29 -0.18 0.00 -2.44 0.00 0.00 57.07 53.14 1m4q s TYR 42 Cb -0.10 -0.59 -0.09 0.00 0.35 0.00 0.00 41.96 41.53 1m4q s TYR 42 CO -0.18 -0.54 0.73 0.14 -1.34 0.00 0.00 175.55 174.36 1m4q s VAL 43 N -4.04 4.61 0.10 3.14 -7.23 -1.26 0.11 120.40 115.84 1m4q s VAL 43 Ca 0.34 1.14 0.00 0.00 -1.81 0.00 0.00 61.98 61.65 1m4q s VAL 43 Cb 0.07 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.26 1m4q s VAL 43 CO 0.09 0.03 0.00 0.49 -0.31 0.00 0.00 175.10 175.40 1m4q n PHE 44 N 0.24 -1.64 -1.51 2.82 3.72 -1.05 -4.73 117.46 115.32 1m4q n PHE 44 Ca 0.00 0.26 -0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1m4q n PHE 44 Cb 0.52 0.90 -0.10 0.00 -0.94 0.00 0.00 39.48 39.86 1m4q n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1m4q n ASN 45 N -2.77 0.93 -1.89 4.37 4.13 -1.26 -2.92 115.26 115.85 1m4q n ASN 45 Ca 0.00 -1.83 -0.13 0.00 1.68 0.00 0.00 54.58 54.30 1m4q n ASN 45 Cb 0.00 -1.49 -0.03 0.00 -1.54 0.00 0.00 39.78 36.71 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1m4q n ASP 46 N 16.79 -3.73 -0.30 6.41 9.92 -1.26 -3.44 116.55 140.94 1m4q n ASP 46 Ca 0.42 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 1m4q n ASP 46 Cb 0.43 -3.32 0.00 0.00 -0.64 0.00 0.00 41.12 37.59 1m4q n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1m4q n GLY 47 N -0.52 0.53 3.20 0.44 0.00 -1.15 -5.13 105.19 102.56 1m4q n GLY 47 Ca -0.14 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 1m4q n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m4q s SER 48 N -1.32 -0.81 0.14 1.61 0.01 -1.22 -4.85 113.70 107.26 1m4q s SER 48 Ca 0.00 0.86 -0.34 0.00 1.31 0.00 0.00 55.95 57.78 1m4q s SER 48 Cb 0.00 1.84 -0.16 0.00 0.21 0.00 0.00 66.02 67.91 1m4q s SER 48 CO 0.00 -0.26 1.17 -1.54 0.41 0.00 0.00 173.24 173.02 1m4q n SER 49 N 5.41 1.22 -4.19 2.44 3.41 -1.25 -2.53 113.62 118.13 1m4q n SER 49 Ca -0.05 1.14 -0.26 0.00 -0.26 0.00 0.00 58.87 59.44 1m4q n SER 49 Cb 0.50 -1.18 -0.16 0.00 -0.26 0.00 0.00 64.21 63.11 1m4q n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1m4q s ARG 50 N -0.20 1.64 -0.20 4.33 3.52 0.30 -4.87 118.95 123.46 1m4q s ARG 50 Ca 0.76 -0.68 -0.29 0.00 -0.13 0.00 0.00 55.73 55.39 1m4q s ARG 50 Cb -0.90 -1.54 -0.03 0.00 -1.56 0.00 0.00 34.95 30.92 1m4q s ARG 50 CO 0.52 0.38 1.60 -1.21 -0.81 0.00 0.00 175.30 175.78 1m4q s GLU 51 N -0.34 3.86 -0.22 5.12 8.01 -1.26 -3.10 118.70 130.76 1m4q s GLU 51 Ca 0.05 1.72 -0.04 0.00 0.01 0.00 0.00 54.97 56.70 1m4q s GLU 51 Cb -0.08 -4.02 0.09 0.00 -4.31 0.00 0.00 34.13 25.80 1m4q s GLU 51 CO 0.00 -1.22 0.16 -0.51 0.01 0.00 0.00 175.26 173.70 1m4q s LEU 52 N 5.00 0.18 0.50 1.80 1.43 -0.24 -5.01 118.68 122.34 1m4q s LEU 52 Ca 0.71 -0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 1m4q s LEU 52 Cb -0.26 0.01 -0.08 0.00 0.03 0.00 0.00 46.19 45.90 1m4q s LEU 52 CO 0.28 -0.36 0.97 -0.32 0.23 0.00 0.00 176.35 177.15 1m4q s MET 53 N 2.21 3.94 0.27 1.70 1.75 -1.26 -0.63 119.30 127.28 1m4q s MET 53 Ca 0.06 0.92 -0.08 0.00 -1.25 0.00 0.00 55.69 55.33 1m4q s MET 53 Cb -0.16 -2.16 -0.01 0.00 2.84 0.00 0.00 34.83 35.35 1m4q s MET 53 CO -0.18 -0.24 0.42 0.54 -0.65 0.00 0.00 175.02 174.91 1m4q s ASN 54 N -3.06 0.22 -0.02 1.11 4.22 0.92 -1.38 114.94 116.96 1m4q s ASN 54 Ca 0.58 -1.17 0.02 0.00 -2.14 0.00 0.00 52.86 50.16 1m4q s ASN 54 Cb -0.10 0.57 0.00 0.00 1.28 0.00 0.00 41.25 43.01 1m4q s ASN 54 CO 0.31 -1.13 -0.08 -0.76 -2.04 0.00 0.00 177.10 173.40 1m4q s LEU 55 N -3.10 1.78 0.18 3.54 1.43 -0.86 0.29 118.68 121.93 1m4q s LEU 55 Ca 0.28 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 1m4q s LEU 55 Cb 0.01 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 1m4q s LEU 55 CO 0.13 0.05 0.24 0.28 0.23 0.00 0.00 176.35 177.28 1m4q s THR 56 N 0.21 0.05 0.00 5.49 -1.32 -1.19 -1.91 115.64 116.97 1m4q s THR 56 Ca -0.03 -1.59 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 1m4q s THR 56 Cb -0.08 -2.04 0.00 0.00 -1.51 0.00 0.00 72.50 68.87 1m4q s THR 56 CO 0.00 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1m4q n GLY 57 N -0.22 3.57 3.54 6.08 0.00 -0.69 -0.60 105.19 116.88 1m4q n GLY 57 Ca -0.05 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1m4q n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m4q s THR 58 N -2.00 4.83 0.18 2.61 -4.23 -1.26 -1.90 115.64 113.88 1m4q s THR 58 Ca 0.00 0.35 -0.07 0.00 -1.18 0.00 0.00 61.69 60.79 1m4q s THR 58 Cb 0.00 -4.16 -0.06 0.00 1.34 0.00 0.00 72.50 69.61 1m4q s THR 58 CO 0.00 -0.49 0.46 0.27 -0.54 0.00 0.00 174.62 174.31 1m4q s ILE 59 N 2.83 5.06 -0.10 2.99 -4.36 -0.08 -4.63 121.20 122.90 1m4q s ILE 59 Ca 0.24 0.24 -0.29 0.00 -0.26 0.00 0.00 60.65 60.58 1m4q s ILE 59 Cb -0.14 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 39.90 1m4q s ILE 59 CO 0.18 -0.01 1.76 -2.16 0.24 0.00 0.00 174.94 174.94 1m4q s PRO 60 N -2.73 3.96 -0.24 0.37 0.04 -1.26 -1.57 135.00 133.58 1m4q s PRO 60 Ca 0.44 2.11 0.02 0.00 0.04 0.00 0.00 61.00 63.61 1m4q s PRO 60 Cb -0.12 -4.07 0.05 0.00 0.04 0.00 0.00 34.50 30.40 1m4q s PRO 60 CO 0.23 -1.12 -0.13 0.08 0.04 0.00 0.00 177.00 176.11 1m4q s VAL 61 N 4.86 2.11 0.62 -0.36 1.01 0.22 -4.95 120.40 123.91 1m4q s VAL 61 Ca 0.78 -1.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1m4q s VAL 61 Cb -0.33 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1m4q s VAL 61 CO 0.32 0.10 1.09 -2.16 0.00 0.00 0.00 175.10 174.45 1m4q s PRO 62 N 1.16 3.05 -0.03 2.72 0.04 -1.26 -0.22 135.00 140.46 1m4q s PRO 62 Ca -0.06 1.36 0.24 0.00 0.04 0.00 0.00 61.00 62.58 1m4q s PRO 62 Cb -0.18 -1.99 0.43 0.00 0.04 0.00 0.00 34.50 32.80 1m4q s PRO 62 CO -0.07 -1.05 1.17 0.98 0.04 0.00 0.00 177.00 178.08 1m4q n TYR 63 N -2.14 0.02 -2.72 0.56 9.36 -0.12 -4.40 117.16 117.73 1m4q n TYR 63 Ca 0.10 -0.63 -0.03 0.00 3.32 0.00 0.00 57.90 60.66 1m4q n TYR 63 Cb 0.52 -0.16 0.01 0.00 -0.63 0.00 0.00 39.34 39.08 1m4q n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1m4q n ARG 64 N 0.31 -1.18 0.00 2.98 5.12 -1.26 -4.44 116.66 118.19 1m4q n ARG 64 Ca 0.07 1.12 0.00 0.00 -1.93 0.00 0.00 57.85 57.12 1m4q n ARG 64 Cb 1.10 -4.77 0.00 0.00 -1.16 0.00 0.00 32.46 27.63 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m4q n GLY 65 N -1.52 1.19 1.26 -0.13 0.00 -1.26 -5.10 105.19 99.63 1m4q n GLY 65 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1m4q n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m4q n ASN 66 N 0.00 -0.32 -3.42 1.61 3.02 -1.26 -5.17 115.26 109.71 1m4q n ASN 66 Ca 0.00 -1.83 -0.01 0.00 -0.03 0.00 0.00 54.58 52.70 1m4q n ASN 66 Cb 0.00 0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 39.84 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1m4q s THR 67 N -2.54 -0.89 0.32 3.41 2.01 -1.26 -0.94 115.64 115.76 1m4q s THR 67 Ca 0.15 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.21 1m4q s THR 67 Cb 0.01 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1m4q s THR 67 CO 0.10 -0.01 0.48 -0.31 -0.69 0.00 0.00 174.62 174.19 1m4q s TYR 68 N 2.79 3.28 -0.89 4.92 1.51 0.70 -4.75 117.35 124.90 1m4q s TYR 68 Ca 0.07 -0.02 -0.12 0.00 -1.01 0.00 0.00 57.07 55.99 1m4q s TYR 68 Cb -0.14 -1.90 0.23 0.00 -0.11 0.00 0.00 41.96 40.04 1m4q s TYR 68 CO -0.18 0.09 0.84 -0.80 -1.11 0.00 0.00 175.55 174.39 1m4q s ASN 69 N -4.11 6.80 -0.06 2.29 0.01 -1.26 0.70 114.94 119.31 1m4q s ASN 69 Ca 0.42 -2.98 -0.30 0.00 -0.71 0.00 0.00 52.86 49.29 1m4q s ASN 69 Cb -0.09 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 1m4q s ASN 69 CO 0.32 -0.47 1.29 -0.51 -1.51 0.00 0.00 177.10 176.22 1m4q s ILE 70 N -0.29 4.09 0.22 0.60 1.10 -0.61 -4.59 121.20 121.73 1m4q s ILE 70 Ca 0.22 1.41 -0.29 0.00 -0.51 0.00 0.00 60.65 61.48 1m4q s ILE 70 Cb -0.11 -3.91 -0.09 0.00 0.15 0.00 0.00 42.46 38.51 1m4q s ILE 70 CO -0.09 -0.03 0.90 -2.16 -2.11 0.00 0.00 174.94 171.45 1m4q s PRO 71 N 2.62 4.78 0.11 3.50 0.04 -1.26 -0.91 135.00 143.89 1m4q s PRO 71 Ca 0.58 1.40 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 1m4q s PRO 71 Cb -0.26 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1m4q s PRO 71 CO 0.22 0.53 0.25 0.42 0.04 0.00 0.00 177.00 178.47 1m4q s ILE 72 N -1.17 0.11 -0.25 0.56 1.01 -0.80 -3.01 121.20 117.65 1m4q s ILE 72 Ca 0.40 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1m4q s ILE 72 Cb -0.25 -1.43 0.08 0.00 0.01 0.00 0.00 42.46 40.87 1m4q s ILE 72 CO 0.30 -0.51 0.61 0.00 0.00 0.00 0.00 174.94 175.34 1m4q s LEU 74 N 1.76 2.06 0.88 0.00 2.34 -0.80 -3.06 118.68 121.86 1m4q s LEU 74 Ca -0.09 -0.60 -0.14 0.00 0.06 0.00 0.00 54.13 53.37 1m4q s LEU 74 Cb -0.07 0.37 0.13 0.00 -0.56 0.00 0.00 46.19 46.07 1m4q s LEU 74 CO -0.18 -0.45 1.23 0.26 -1.06 0.00 0.00 176.35 176.14 1m4q s TRP 75 N -2.44 2.36 -0.32 3.48 0.52 -1.20 -2.02 118.94 119.31 1m4q s TRP 75 Ca -0.07 0.59 0.01 0.00 0.02 0.00 0.00 56.10 56.65 1m4q s TRP 75 Cb -0.02 -3.72 0.14 0.00 -1.15 0.00 0.00 33.47 28.72 1m4q s TRP 75 CO -0.04 -2.20 0.30 -1.17 0.02 0.00 0.00 176.95 173.86 1m4q s LEU 76 N -5.76 -0.02 1.16 2.99 2.96 -0.48 -4.67 118.68 114.85 1m4q s LEU 76 Ca 0.67 -1.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.19 1m4q s LEU 76 Cb -0.09 0.39 0.27 0.00 0.50 0.00 0.00 46.19 47.26 1m4q s LEU 76 CO 0.51 -0.34 1.12 -0.22 -1.32 0.00 0.00 176.35 176.10 1m4q s LEU 77 N 1.90 0.92 0.05 -0.68 2.96 -1.26 -4.17 118.68 118.41 1m4q s LEU 77 Ca 0.13 0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 54.45 1m4q s LEU 77 Cb -0.15 -2.52 -0.17 0.00 0.50 0.00 0.00 46.19 43.84 1m4q s LEU 77 CO -0.20 -3.91 1.51 -2.24 -1.32 0.00 0.00 176.35 170.19 1m4q h ASP 78 N -2.43 -0.50 0.00 3.68 2.03 -1.99 -3.45 116.42 113.76 1m4q h ASP 78 Ca -0.47 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1m4q h ASP 78 Cb 1.30 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.93 1m4q h ASP 78 CO 0.38 -0.27 0.00 1.07 -1.03 0.00 0.00 179.24 179.39 1m4q n THR 79 N -5.30 0.00 -4.13 1.15 5.66 -1.26 -4.27 114.28 106.13 1m4q n THR 79 Ca -0.11 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.70 1m4q n THR 79 Cb 0.28 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.89 1m4q n THR 79 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1m4q s TYR 80 N 0.00 0.64 0.21 1.09 5.04 -1.26 -3.92 117.35 119.16 1m4q s TYR 80 Ca 0.00 -0.15 0.11 0.00 -2.44 0.00 0.00 57.07 54.58 1m4q s TYR 80 Cb 0.00 -0.58 0.25 0.00 0.35 0.00 0.00 41.96 41.98 1m4q s TYR 80 CO 0.00 -0.16 1.54 -1.35 -1.34 0.00 0.00 175.55 174.24 1m4q h PRO 81 N 7.09 0.00 0.00 4.97 0.11 -2.01 -3.43 132.00 138.74 1m4q h PRO 81 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1m4q h PRO 81 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1m4q h PRO 81 CO 0.48 0.68 0.00 0.98 -0.21 0.00 0.00 178.00 179.92 1m4q n TYR 82 N -3.65 0.00 -3.86 0.65 4.19 -1.25 -5.15 117.16 108.08 1m4q n TYR 82 Ca -0.01 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.11 1m4q n TYR 82 Cb 0.68 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 40.44 1m4q n TYR 82 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1m4q s ASN 83 N -1.16 0.05 -0.29 2.98 -0.87 -1.26 -4.85 114.94 109.54 1m4q s ASN 83 Ca 0.00 -0.68 -0.29 0.00 -1.57 0.00 0.00 52.86 50.32 1m4q s ASN 83 Cb 0.00 0.39 -0.07 0.00 -0.02 0.00 0.00 41.25 41.55 1m4q s ASN 83 CO 0.00 -0.80 2.26 -0.81 -2.57 0.00 0.00 177.10 175.18 1m4q n PRO 84 N -0.13 1.66 0.14 -0.60 -0.04 -1.26 -4.85 135.00 129.91 1m4q n PRO 84 Ca -0.13 0.41 -0.23 0.00 -0.04 0.00 0.00 63.50 63.51 1m4q n PRO 84 Cb 0.63 -3.13 -0.16 0.00 -0.04 0.00 0.00 33.50 30.80 1m4q n PRO 84 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1m4q h PRO 85 N 15.33 0.50 -6.17 0.54 0.13 -1.90 -3.45 132.00 136.97 1m4q h PRO 85 Ca -0.36 -0.85 -0.57 0.00 -0.87 0.00 0.00 66.00 63.35 1m4q h PRO 85 Cb 1.26 0.32 -0.01 0.00 0.13 0.00 0.00 31.00 32.70 1m4q h PRO 85 CO 1.00 1.40 1.33 0.42 -0.23 0.00 0.00 178.00 181.93 1m4q s ILE 86 N -2.61 3.23 -0.07 -3.56 -1.09 -1.26 -4.96 121.20 110.88 1m4q s ILE 86 Ca -0.08 0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1m4q s ILE 86 Cb 0.05 -3.26 0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1m4q s ILE 86 CO 0.93 -0.13 0.15 0.00 -1.23 0.00 0.00 174.94 174.67 1m4q s PHE 88 N 1.31 0.06 -0.14 0.00 -0.12 -1.17 -2.15 117.98 115.77 1m4q s PHE 88 Ca -0.08 -0.36 -0.16 0.00 -0.05 0.00 0.00 56.93 56.28 1m4q s PHE 88 Cb -0.12 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 1m4q s PHE 88 CO -0.06 -0.49 0.40 0.54 -0.05 0.00 0.00 175.22 175.56 1m4q s VAL 89 N -3.08 5.24 -0.49 -2.49 0.11 0.29 -2.25 120.40 117.72 1m4q s VAL 89 Ca -0.01 0.78 -0.16 0.00 -2.93 0.00 0.00 61.98 59.66 1m4q s VAL 89 Cb 0.01 -3.74 0.08 0.00 -1.53 0.00 0.00 36.38 31.21 1m4q s VAL 89 CO -0.07 0.35 0.46 -1.59 -3.33 0.00 0.00 175.10 170.92 1m4q s LYS 90 N 0.56 3.00 0.13 1.54 -2.85 -1.16 -4.47 119.74 116.50 1m4q s LYS 90 Ca 0.22 -1.34 -0.16 0.00 -1.00 0.00 0.00 55.97 53.69 1m4q s LYS 90 Cb -0.14 -4.16 -0.07 0.00 -2.06 0.00 0.00 37.83 31.40 1m4q s LYS 90 CO 0.07 -1.13 0.56 -1.25 0.10 0.00 0.00 175.35 173.71 1m4q s PRO 91 N 1.83 4.05 0.84 1.78 0.04 -1.26 -4.43 135.00 137.85 1m4q s PRO 91 Ca 0.06 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 61.55 1m4q s PRO 91 Cb -0.24 -3.01 0.10 0.00 0.04 0.00 0.00 34.50 31.39 1m4q s PRO 91 CO 0.07 0.52 1.15 0.95 0.04 0.00 0.00 177.00 179.72 1m4q s THR 92 N -1.37 2.20 0.26 1.26 -4.23 -1.26 -4.87 115.64 107.63 1m4q s THR 92 Ca 0.36 0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 60.92 1m4q s THR 92 Cb -0.16 -2.94 0.25 0.00 1.34 0.00 0.00 72.50 70.98 1m4q s THR 92 CO 0.19 -0.09 1.80 0.28 -0.54 0.00 0.00 174.62 176.26 1m4q h SER 93 N -1.21 0.70 -0.17 3.99 0.02 -2.06 0.18 113.55 115.00 1m4q h SER 93 Ca -0.48 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1m4q h SER 93 Cb 1.32 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1m4q h SER 93 CO 0.64 0.35 0.00 -1.20 -1.14 0.00 0.00 176.83 175.48 1m4q n SER 94 N -4.76 1.23 -4.96 3.07 7.64 -1.26 -4.89 113.62 109.70 1m4q n SER 94 Ca 0.17 -1.76 -0.22 0.00 1.01 0.00 0.00 58.87 58.06 1m4q n SER 94 Cb 0.37 -0.11 0.01 0.00 -1.01 0.00 0.00 64.21 63.47 1m4q n SER 94 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1m4q s MET 95 N -1.78 3.08 -0.07 1.43 0.00 0.61 -2.72 119.30 119.84 1m4q s MET 95 Ca 0.26 -0.56 -0.02 0.00 0.00 0.00 0.00 55.69 55.36 1m4q s MET 95 Cb 0.13 -2.60 0.04 0.00 0.00 0.00 0.00 34.83 32.40 1m4q s MET 95 CO 0.20 -0.21 0.05 0.99 0.00 0.00 0.00 175.02 176.05 1m4q s THR 96 N -2.49 0.01 0.29 10.11 2.01 -1.07 -4.79 115.64 119.70 1m4q s THR 96 Ca 0.48 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 1m4q s THR 96 Cb -0.10 -0.32 -0.10 0.00 0.01 0.00 0.00 72.50 71.99 1m4q s THR 96 CO 0.37 0.11 1.15 -0.63 -0.69 0.00 0.00 174.62 174.93 1m4q s ILE 97 N 2.12 3.29 -0.35 1.82 1.01 -1.26 -1.35 121.20 126.47 1m4q s ILE 97 Ca 0.04 1.30 -0.12 0.00 0.00 0.00 0.00 60.65 61.88 1m4q s ILE 97 Cb -0.13 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.52 1m4q s ILE 97 CO -0.05 0.31 0.21 -0.75 0.00 0.00 0.00 174.94 174.67 1m4q s LYS 98 N -1.53 3.15 0.42 2.79 2.36 0.83 -4.88 119.74 122.87 1m4q s LYS 98 Ca 0.46 -0.87 -0.24 0.00 -2.55 0.00 0.00 55.97 52.76 1m4q s LYS 98 Cb -0.34 -3.73 -0.08 0.00 -1.05 0.00 0.00 37.83 32.63 1m4q s LYS 98 CO 0.44 -0.56 1.18 0.95 1.55 0.00 0.00 175.35 178.91 1m4q s THR 99 N 1.63 3.08 -4.46 3.43 -4.23 -1.26 -4.49 115.64 109.35 1m4q s THR 99 Ca 0.04 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 1m4q s THR 99 Cb -0.18 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1m4q s THR 99 CO 0.08 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1m4q n GLY 100 N 0.57 -2.25 0.29 3.99 0.00 0.77 -4.89 105.19 103.67 1m4q n GLY 100 Ca 0.05 -1.25 0.16 0.00 0.00 0.00 0.00 46.02 44.98 1m4q n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m4q h LYS 101 N 0.00 0.00 0.00 1.61 1.57 -1.93 0.59 116.57 118.41 1m4q h LYS 101 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1m4q h LYS 101 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1m4q h LYS 101 CO 0.00 0.00 -1.21 0.72 -0.57 0.00 0.00 179.45 178.39 1m4q n HIS 102 N -2.76 0.84 -3.63 -1.35 8.25 -1.26 -4.52 115.22 110.79 1m4q n HIS 102 Ca -0.02 0.25 -0.16 0.00 -0.26 0.00 0.00 57.72 57.53 1m4q n HIS 102 Cb 0.20 -0.92 -0.07 0.00 1.12 0.00 0.00 29.99 30.32 1m4q n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4q s VAL 103 N -3.31 0.02 -0.08 1.59 1.01 0.20 -3.09 120.40 116.75 1m4q s VAL 103 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1m4q s VAL 103 Cb 0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1m4q s VAL 103 CO 0.81 -0.10 -0.06 0.44 0.00 0.00 0.00 175.10 176.19 1m4q h ASP 104 N 3.51 0.00 0.00 3.32 5.19 -1.72 0.22 116.42 126.94 1m4q h ASP 104 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1m4q h ASP 104 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1m4q h ASP 104 CO 0.38 0.43 0.00 0.00 -3.12 0.00 0.00 179.24 176.92 1m4q n ALA 105 N -2.87 0.00 0.23 3.45 0.00 -1.26 -4.54 120.51 115.51 1m4q n ALA 105 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1m4q n ALA 105 Cb 0.09 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.79 1m4q n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m4q n ASN 106 N 0.00 3.01 0.00 0.00 3.02 -1.26 -4.89 115.26 115.14 1m4q n ASN 106 Ca 0.00 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1m4q n ASN 106 Cb 0.00 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m4q n GLY 107 N 1.29 0.74 3.75 7.41 0.00 -1.26 -4.84 105.19 112.27 1m4q n GLY 107 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1m4q n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m4q s LYS 108 N -0.55 4.40 0.30 1.61 1.02 -1.26 0.11 119.74 125.37 1m4q s LYS 108 Ca 0.00 2.08 -0.26 0.00 0.02 0.00 0.00 55.97 57.80 1m4q s LYS 108 Cb 0.00 -3.16 -0.10 0.00 -0.52 0.00 0.00 37.83 34.05 1m4q s LYS 108 CO 0.00 -0.20 0.93 0.42 -0.92 0.00 0.00 175.35 175.58 1m4q s ILE 109 N -0.30 4.20 -0.40 2.17 1.01 -0.91 -3.50 121.20 123.46 1m4q s ILE 109 Ca 0.54 1.85 0.06 0.00 0.00 0.00 0.00 60.65 63.10 1m4q s ILE 109 Cb -0.37 -4.06 0.22 0.00 0.01 0.00 0.00 42.46 38.26 1m4q s ILE 109 CO 0.42 0.21 0.47 0.00 0.00 0.00 0.00 174.94 176.04 1m4q n TYR 110 N 0.75 -0.75 -4.08 3.97 9.36 -1.18 -4.98 117.16 120.25 1m4q n TYR 110 Ca 0.01 -3.36 -0.14 0.00 3.32 0.00 0.00 57.90 57.73 1m4q n TYR 110 Cb 0.50 -0.02 -0.11 0.00 -0.63 0.00 0.00 39.34 39.07 1m4q n TYR 110 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1m4q s LEU 111 N -0.66 2.26 -0.39 2.98 1.43 -1.26 -4.34 118.68 118.70 1m4q s LEU 111 Ca 0.34 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1m4q s LEU 111 Cb 0.12 -0.23 -0.22 0.00 0.03 0.00 0.00 46.19 45.89 1m4q s LEU 111 CO -0.15 -0.18 3.44 -0.81 0.23 0.00 0.00 176.35 178.89 1m4q n PRO 112 N 1.42 2.41 -0.11 1.29 -0.04 -1.26 -4.32 135.00 134.40 1m4q n PRO 112 Ca -0.22 -1.33 -0.21 0.00 -0.04 0.00 0.00 63.50 61.70 1m4q n PRO 112 Cb 0.55 -2.19 -0.09 0.00 -0.04 0.00 0.00 33.50 31.73 1m4q n PRO 112 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1m4q n TYR 113 N 2.67 0.55 -0.02 0.54 4.11 -1.26 -3.76 117.16 120.00 1m4q n TYR 113 Ca 0.51 0.24 -0.15 0.00 -0.00 0.00 0.00 57.90 58.50 1m4q n TYR 113 Cb 0.75 -0.95 -0.11 0.00 -0.00 0.00 0.00 39.34 39.03 1m4q n TYR 113 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 1m4q h LEU 114 N -1.00 0.33 -2.41 -3.48 6.46 -1.93 -0.15 115.31 113.14 1m4q h LEU 114 Ca -0.38 -0.72 -0.01 0.00 -0.12 0.00 0.00 57.88 56.65 1m4q h LEU 114 Cb 1.26 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1m4q h LEU 114 CO -0.23 1.01 -0.03 -0.74 -0.62 0.00 0.00 178.44 177.83 1m4q h HIS 115 N -0.31 0.00 0.00 1.25 2.76 -1.83 -3.30 115.15 113.72 1m4q h HIS 115 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1m4q h HIS 115 Cb 1.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1m4q h HIS 115 CO 0.15 0.03 -0.28 -1.91 -1.30 0.00 0.00 177.93 174.62 1m4q n GLU 116 N -3.36 0.18 0.00 5.26 2.13 -1.21 -4.97 120.64 118.67 1m4q n GLU 116 Ca -0.02 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1m4q n GLU 116 Cb 0.15 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 30.88 1m4q n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4q n TRP 117 N -3.19 0.00 -2.95 4.31 -0.00 -0.07 -4.88 117.44 110.65 1m4q n TRP 117 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.34 1m4q n TRP 117 Cb 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.52 1m4q n TRP 117 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1m4q n LYS 118 N 0.00 -4.05 -0.01 5.87 4.81 -1.26 -4.95 118.16 118.57 1m4q n LYS 118 Ca 0.00 0.60 -0.16 0.00 -0.87 0.00 0.00 58.31 57.87 1m4q n LYS 118 Cb 0.00 -4.79 -0.05 0.00 0.02 0.00 0.00 35.03 30.20 1m4q n LYS 118 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1m4q h HIS 119 N -1.22 0.98 0.32 5.64 3.86 -1.93 -3.47 115.15 119.33 1m4q h HIS 119 Ca -0.41 -0.44 -0.02 0.00 -1.16 0.00 0.00 60.37 58.34 1m4q h HIS 119 Cb 1.23 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1m4q h HIS 119 CO 0.29 1.26 -0.15 -1.00 0.86 0.00 0.00 177.93 179.19 1m4q h PRO 120 N 0.49 -0.41 0.00 2.45 0.13 -2.01 -3.50 132.00 129.15 1m4q h PRO 120 Ca -0.05 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1m4q h PRO 120 Cb 1.41 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.63 1m4q h PRO 120 CO 0.16 -0.18 0.00 0.94 -0.23 0.00 0.00 178.00 178.69 1m4q n GLN 121 N -5.06 0.00 -2.19 0.86 -0.06 -1.26 -4.90 117.38 104.77 1m4q n GLN 121 Ca -0.07 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.65 1m4q n GLN 121 Cb 0.22 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.42 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1m4q s SER 122 N 0.00 5.85 0.54 1.69 0.15 -1.26 -5.10 113.70 115.57 1m4q s SER 122 Ca 0.00 1.04 0.02 0.00 0.70 0.00 0.00 55.95 57.71 1m4q s SER 122 Cb 0.00 -2.06 0.02 0.00 -1.71 0.00 0.00 66.02 62.27 1m4q s SER 122 CO 0.00 -0.98 0.16 -0.90 1.20 0.00 0.00 173.24 172.71 1m4q n ASP 123 N -2.66 3.21 -0.09 5.45 5.75 -1.26 -4.97 116.55 121.98 1m4q n ASP 123 Ca 0.05 -3.16 0.25 0.00 -0.01 0.00 0.00 54.79 51.92 1m4q n ASP 123 Cb 0.56 0.21 0.72 0.00 -1.03 0.00 0.00 41.12 41.58 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1m4q h LEU 124 N 0.00 0.00 -0.24 -2.12 5.85 -1.99 0.10 115.31 116.91 1m4q h LEU 124 Ca -0.40 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 1m4q h LEU 124 Cb 1.31 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1m4q h LEU 124 CO 0.66 0.00 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.57 1m4q h LEU 125 N 0.00 0.51 -1.40 2.25 4.07 -1.95 -3.08 115.31 115.71 1m4q h LEU 125 Ca 0.34 -0.41 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1m4q h LEU 125 Cb 1.44 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 43.02 1m4q h LEU 125 CO -0.00 0.81 0.09 1.23 -1.08 0.00 0.00 178.44 179.49 1m4q h GLY 126 N 0.22 0.52 0.42 0.83 0.00 -1.36 -2.05 103.07 101.65 1m4q h GLY 126 Ca 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1m4q h GLY 126 CO 0.04 0.25 -0.26 -2.00 0.00 0.00 0.00 176.54 174.56 1m4q h LEU 127 N 0.48 -0.67 -2.14 3.11 6.46 -1.39 -2.48 115.31 118.70 1m4q h LEU 127 Ca 0.12 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.96 1m4q h LEU 127 Cb 0.18 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1m4q h LEU 127 CO -0.00 -0.40 0.15 0.40 -0.62 0.00 0.00 178.44 177.97 1m4q h ILE 128 N -0.64 0.70 -0.90 4.05 2.04 -1.53 -0.69 117.51 120.54 1m4q h ILE 128 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1m4q h ILE 128 Cb 0.52 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1m4q h ILE 128 CO 0.06 0.00 0.59 -0.61 0.00 0.00 0.00 178.15 178.19 1m4q h GLN 129 N 0.00 1.13 -0.02 2.37 4.15 -0.97 0.08 115.11 121.85 1m4q h GLN 129 Ca 0.09 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1m4q h GLN 129 Cb 0.39 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1m4q h GLN 129 CO -0.00 0.75 0.00 0.28 -1.93 0.00 0.00 178.83 177.93 1m4q h VAL 130 N 1.17 1.24 -0.64 2.39 2.07 -0.69 0.69 116.25 122.47 1m4q h VAL 130 Ca 0.34 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1m4q h VAL 130 Cb -0.06 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1m4q h VAL 130 CO -0.09 0.19 0.43 0.00 0.02 0.00 0.00 177.57 178.12 1m4q h MET 131 N -0.26 0.75 -0.35 1.57 -0.00 -1.42 0.25 114.93 115.47 1m4q h MET 131 Ca 0.01 -0.05 -0.10 0.00 -0.00 0.00 0.00 59.70 59.56 1m4q h MET 131 Cb 0.31 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 31.73 1m4q h MET 131 CO 0.00 0.50 -0.16 0.82 -0.00 0.00 0.00 176.91 178.07 1m4q h ILE 132 N 0.78 1.29 0.15 -0.10 2.04 -0.75 0.24 117.51 121.15 1m4q h ILE 132 Ca 0.25 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1m4q h ILE 132 Cb 0.05 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1m4q h ILE 132 CO -0.07 0.42 -0.07 0.58 0.00 0.00 0.00 178.15 179.00 1m4q h VAL 133 N 0.51 0.99 0.17 1.67 2.07 0.05 0.95 116.25 122.65 1m4q h VAL 133 Ca 0.08 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1m4q h VAL 133 Cb 0.69 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1m4q h VAL 133 CO 0.05 0.16 -0.08 0.58 0.02 0.00 0.00 177.57 178.30 1m4q h VAL 134 N -0.54 0.85 0.00 2.57 2.07 -0.58 -2.03 116.25 118.60 1m4q h VAL 134 Ca -0.02 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1m4q h VAL 134 Cb 0.42 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1m4q h VAL 134 CO 0.03 0.02 0.00 0.49 0.02 0.00 0.00 177.57 178.13 1m4q n PHE 135 N -5.17 0.58 -0.12 1.57 3.72 0.82 -1.43 117.46 117.43 1m4q n PHE 135 Ca -0.09 0.24 -0.02 0.00 -0.05 0.00 0.00 57.45 57.53 1m4q n PHE 135 Cb 0.13 -0.88 0.22 0.00 -0.94 0.00 0.00 39.48 38.01 1m4q n PHE 135 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1m4q h GLY 136 N 1.94 0.87 0.00 1.37 0.00 -0.03 -3.34 103.07 103.88 1m4q h GLY 136 Ca 0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 47.33 46.62 1m4q h GLY 136 CO 0.00 0.44 -1.87 1.22 0.00 0.00 0.00 176.54 176.33 1m4q n ASP 137 N -4.30 2.30 -4.53 0.19 9.92 -1.12 -4.05 116.55 114.96 1m4q n ASP 137 Ca 0.04 0.01 -0.43 0.00 -0.53 0.00 0.00 54.79 53.88 1m4q n ASP 137 Cb 0.19 -0.31 -0.05 0.00 -0.64 0.00 0.00 41.12 40.31 1m4q n ASP 137 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1m4q s GLU 138 N -2.30 3.36 -0.27 -1.24 2.56 -0.51 -5.01 118.70 115.29 1m4q s GLU 138 Ca -0.21 -0.22 -0.28 0.00 0.00 0.00 0.00 54.97 54.26 1m4q s GLU 138 Cb 0.06 -3.99 -0.03 0.00 2.00 0.00 0.00 34.13 32.17 1m4q s GLU 138 CO 0.33 -1.26 1.96 -1.25 -0.56 0.00 0.00 175.26 174.48 1m4q s PRO 139 N 3.48 3.29 0.06 4.30 0.04 -1.26 -4.11 135.00 140.80 1m4q s PRO 139 Ca 0.29 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 1m4q s PRO 139 Cb -0.13 -4.26 -0.28 0.00 0.04 0.00 0.00 34.50 29.87 1m4q s PRO 139 CO 0.21 -1.91 1.09 -1.00 0.04 0.00 0.00 177.00 175.42 1m4q h PRO 140 N 13.61 0.27 -1.33 0.56 0.13 -1.89 -3.44 132.00 139.91 1m4q h PRO 140 Ca -0.37 -0.46 -0.19 0.00 -0.87 0.00 0.00 66.00 64.11 1m4q h PRO 140 Cb 1.20 0.17 -0.23 0.00 0.13 0.00 0.00 31.00 32.27 1m4q h PRO 140 CO 1.00 1.20 -0.55 0.54 -0.23 0.00 0.00 178.00 179.96 1m4q s VAL 141 N -2.65 -0.74 -0.07 1.56 0.11 -1.26 -0.12 120.40 117.23 1m4q s VAL 141 Ca -0.05 -0.63 -0.24 0.00 -2.93 0.00 0.00 61.98 58.14 1m4q s VAL 141 Cb 0.07 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1m4q s VAL 141 CO 0.88 -0.23 0.71 0.72 -3.33 0.00 0.00 175.10 173.85 1m4q s PHE 142 N 1.43 3.58 0.48 1.54 -0.71 -0.46 -4.63 117.98 119.21 1m4q s PHE 142 Ca 0.20 1.26 -0.03 0.00 -1.04 0.00 0.00 56.93 57.32 1m4q s PHE 142 Cb -0.06 -2.82 -0.02 0.00 -1.21 0.00 0.00 43.02 38.92 1m4q s PHE 142 CO -0.06 0.08 0.75 0.45 -1.34 0.00 0.00 175.22 175.10 1m4q s SER 143 N 0.81 5.98 0.39 1.98 0.15 -1.26 -2.59 113.70 119.17 1m4q s SER 143 Ca 0.38 0.64 -0.24 0.00 0.70 0.00 0.00 55.95 57.43 1m4q s SER 143 Cb -0.18 -1.89 -0.09 0.00 -1.71 0.00 0.00 66.02 62.15 1m4q s SER 143 CO 0.18 -0.70 1.03 -0.13 1.20 0.00 0.00 173.24 174.82 1m4q s ARG 144 N -4.70 4.20 0.00 5.44 1.81 -1.10 -4.88 118.95 119.72 1m4q s ARG 144 Ca 0.48 1.47 0.18 0.00 -1.72 0.00 0.00 55.73 56.14 1m4q s ARG 144 Cb -0.10 -2.54 1.09 0.00 -0.45 0.00 0.00 34.95 32.95 1m4q s ARG 144 CO 0.42 -0.10 1.48 -0.35 -0.68 0.00 0.00 175.30 176.07