#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 0.39 0.36 0.00 0.31 -1.26 -4.30 118.33 113.83 1m4q n VAL 3 Ca 0.00 -0.56 0.13 0.00 -0.01 0.00 0.00 64.34 63.90 1m4q n VAL 3 Cb 0.00 -0.13 0.33 0.00 -0.91 0.00 0.00 33.84 33.13 1m4q n VAL 3 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1m4q h SER 4 N 0.00 0.00 -0.63 4.52 0.87 -1.99 -3.30 113.55 113.02 1m4q h SER 4 Ca -0.15 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.52 1m4q h SER 4 Cb 1.30 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.17 1m4q h SER 4 CO 0.01 0.00 0.19 1.05 -0.53 0.00 0.00 176.83 177.55 1m4q h GLU 5 N 0.00 0.32 -0.13 2.24 -0.00 -1.99 0.93 114.58 115.96 1m4q h GLU 5 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1m4q h GLU 5 Cb 0.81 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.48 1m4q h GLU 5 CO 0.00 0.21 0.08 0.77 -0.00 0.00 0.00 179.01 180.08 1m4q h SER 6 N 0.33 0.15 0.78 3.06 0.02 -1.85 -2.33 113.55 113.71 1m4q h SER 6 Ca 0.33 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1m4q h SER 6 Cb 0.47 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1m4q h SER 6 CO -0.37 0.13 -0.25 -0.61 -1.14 0.00 0.00 176.83 174.58 1m4q h GLN 7 N 0.16 0.00 -0.24 3.45 4.15 -1.48 -3.15 115.11 118.00 1m4q h GLN 7 Ca 0.05 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1m4q h GLN 7 Cb -0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1m4q h GLN 7 CO -0.01 0.25 0.09 1.25 -1.93 0.00 0.00 178.83 178.48 1m4q h LEU 8 N 0.00 0.11 -0.97 -2.39 5.85 0.14 0.17 115.31 118.22 1m4q h LEU 8 Ca -0.00 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1m4q h LEU 8 Cb 0.71 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 1m4q h LEU 8 CO 0.03 0.09 0.60 0.50 -0.34 0.00 0.00 178.44 179.33 1m4q h LYS 9 N 0.20 0.96 0.00 1.25 3.64 -1.49 0.19 116.57 121.33 1m4q h LYS 9 Ca 0.10 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1m4q h LYS 9 Cb 0.06 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1m4q h LYS 9 CO -0.10 0.64 -0.24 0.87 -2.27 0.00 0.00 179.45 178.35 1m4q h LYS 10 N 0.99 0.00 0.00 1.90 1.57 -1.49 -2.86 116.57 116.68 1m4q h LYS 10 Ca 0.47 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.23 1m4q h LYS 10 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1m4q h LYS 10 CO -0.24 0.24 -0.06 1.98 -0.57 0.00 0.00 179.45 180.79 1m4q h MET 11 N 0.00 0.00 0.00 3.15 4.05 0.14 -3.38 114.93 118.89 1m4q h MET 11 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1m4q h MET 11 Cb 0.81 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 1m4q h MET 11 CO 0.03 0.06 0.00 1.33 0.23 0.00 0.00 176.91 178.56 1m4q n VAL 12 N -4.15 0.00 -2.26 -5.77 0.24 -1.12 -4.87 118.33 100.40 1m4q n VAL 12 Ca -0.03 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.19 1m4q n VAL 12 Cb 0.15 -0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 31.80 1m4q n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4q n SER 13 N -0.84 -2.84 0.00 -1.34 2.88 -1.09 -4.54 113.62 105.84 1m4q n SER 13 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1m4q n SER 13 Cb 0.00 -2.52 0.00 0.00 -0.75 0.00 0.00 64.21 60.94 1m4q n SER 13 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1m4q n LYS 14 N -2.51 0.00 -1.16 -1.46 4.81 -1.26 -5.12 118.16 111.46 1m4q n LYS 14 Ca -0.10 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.04 1m4q n LYS 14 Cb 0.53 -0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.71 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1m4q s TYR 15 N 0.00 2.29 0.42 5.64 1.51 -1.26 -4.92 117.35 121.03 1m4q s TYR 15 Ca 0.00 1.35 0.09 0.00 -1.01 0.00 0.00 57.07 57.50 1m4q s TYR 15 Cb 0.00 -3.14 0.90 0.00 -0.11 0.00 0.00 41.96 39.60 1m4q s TYR 15 CO 0.00 -2.35 2.02 -0.22 -1.11 0.00 0.00 175.55 173.89 1m4q h LYS 16 N -1.52 0.36 -2.34 -0.62 1.63 -1.96 -3.32 116.57 108.80 1m4q h LYS 16 Ca -0.48 -0.04 -0.59 0.00 -0.85 0.00 0.00 60.65 58.69 1m4q h LYS 16 Cb 1.27 -0.07 -0.39 0.00 -0.60 0.00 0.00 32.23 32.45 1m4q h LYS 16 CO 0.53 0.31 -0.97 0.66 -3.45 0.00 0.00 179.45 176.53 1m4q n TYR 17 N -4.42 -0.46 -0.22 1.91 4.01 -1.26 -4.99 117.16 111.73 1m4q n TYR 17 Ca 0.01 -3.44 0.03 0.00 -0.16 0.00 0.00 57.90 54.34 1m4q n TYR 17 Cb 0.13 0.07 0.13 0.00 -0.31 0.00 0.00 39.34 39.36 1m4q n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1m4q h ARG 18 N 5.27 0.17 0.65 -0.72 1.12 -1.96 0.70 114.38 119.61 1m4q h ARG 18 Ca 0.22 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 59.05 1m4q h ARG 18 Cb 0.89 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.81 1m4q h ARG 18 CO 0.42 0.11 -0.38 0.22 -3.11 0.00 0.00 179.97 177.24 1m4q h ASP 19 N 0.18 -0.93 0.46 -3.80 1.82 -1.94 0.84 116.42 113.04 1m4q h ASP 19 Ca 0.36 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 57.04 1m4q h ASP 19 Cb 0.59 0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.86 1m4q h ASP 19 CO -0.52 -0.60 -0.05 -0.07 -1.61 0.00 0.00 179.24 176.40 1m4q h LEU 20 N -0.96 0.00 0.02 2.28 4.07 -1.83 0.31 115.31 119.20 1m4q h LEU 20 Ca -0.08 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.77 1m4q h LEU 20 Cb 0.77 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 1m4q h LEU 20 CO 0.10 0.05 -0.58 0.74 -1.08 0.00 0.00 178.44 177.67 1m4q h THR 21 N 0.00 1.43 -0.37 0.22 2.02 0.91 -3.06 112.91 114.06 1m4q h THR 21 Ca -0.00 -2.31 -0.12 0.00 0.77 0.00 0.00 66.41 64.75 1m4q h THR 21 Cb 0.29 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.64 1m4q h THR 21 CO 0.01 0.53 -0.23 0.58 0.37 0.00 0.00 175.52 176.78 1m4q h VAL 22 N -0.90 1.28 -0.52 3.16 2.07 0.85 -2.37 116.25 119.82 1m4q h VAL 22 Ca -0.15 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.01 1m4q h VAL 22 Cb 1.20 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1m4q h VAL 22 CO -0.05 0.45 0.34 -0.09 0.02 0.00 0.00 177.57 178.23 1m4q h ARG 23 N 0.60 0.66 -0.55 1.57 2.43 -0.55 -0.58 114.38 117.95 1m4q h ARG 23 Ca 0.08 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1m4q h ARG 23 Cb 0.79 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1m4q h ARG 23 CO 0.06 0.44 0.26 0.93 -1.51 0.00 0.00 179.97 180.15 1m4q h GLU 24 N 0.68 0.80 0.88 0.20 3.07 -1.49 -0.83 114.58 117.90 1m4q h GLU 24 Ca 0.20 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1m4q h GLU 24 Cb -0.05 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1m4q h GLU 24 CO -0.06 0.66 -0.42 1.15 -1.40 0.00 0.00 179.01 178.93 1m4q h THR 25 N 0.74 0.13 -0.85 1.13 2.02 -1.00 -2.33 112.91 112.75 1m4q h THR 25 Ca 0.19 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.47 1m4q h THR 25 Cb 0.13 0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 66.59 1m4q h THR 25 CO -0.02 0.00 0.47 -0.37 0.37 0.00 0.00 175.52 175.97 1m4q h VAL 26 N -1.19 0.85 -0.98 3.16 -1.51 -1.09 -0.96 116.25 114.52 1m4q h VAL 26 Ca -0.12 -0.26 0.09 0.00 -1.23 0.00 0.00 66.70 65.18 1m4q h VAL 26 Cb 0.91 0.03 -0.07 0.00 -2.13 0.00 0.00 31.29 30.03 1m4q h VAL 26 CO 0.20 0.14 0.63 -1.13 -1.23 0.00 0.00 177.57 176.18 1m4q h ASN 27 N 0.75 0.96 0.09 4.19 -1.24 -1.00 0.96 115.58 120.31 1m4q h ASN 27 Ca 0.43 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.46 1m4q h ASN 27 Cb 0.47 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1m4q h ASN 27 CO -0.29 0.58 -0.05 0.58 -1.29 0.00 0.00 177.43 176.97 1m4q h VAL 28 N 1.07 1.01 -0.07 2.57 2.07 -0.62 -0.47 116.25 121.81 1m4q h VAL 28 Ca 0.45 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 67.43 1m4q h VAL 28 Cb 0.31 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1m4q h VAL 28 CO -0.20 0.09 -0.69 0.16 0.02 0.00 0.00 177.57 176.95 1m4q h ILE 29 N -0.29 1.39 0.00 4.57 3.07 -1.14 0.55 117.51 125.66 1m4q h ILE 29 Ca -0.01 -2.11 -0.08 0.00 1.55 0.00 0.00 64.86 64.21 1m4q h ILE 29 Cb 0.25 2.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.87 1m4q h ILE 29 CO 0.02 0.63 -0.38 0.74 -1.05 0.00 0.00 178.15 178.11 1m4q h THR 30 N 0.23 1.18 0.05 0.16 2.02 0.10 0.96 112.91 117.61 1m4q h THR 30 Ca -0.02 -1.36 -0.30 0.00 0.77 0.00 0.00 66.41 65.50 1m4q h THR 30 Cb 1.24 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 1m4q h THR 30 CO 0.11 0.38 -1.66 -0.11 0.37 0.00 0.00 175.52 174.60 1m4q n LEU 31 N -3.94 2.20 0.05 2.58 7.94 -0.19 -4.51 117.00 121.12 1m4q n LEU 31 Ca -0.02 0.32 -0.20 0.00 -1.11 0.00 0.00 56.01 55.00 1m4q n LEU 31 Cb 0.43 -1.01 -0.15 0.00 0.53 0.00 0.00 43.42 43.22 1m4q n LEU 31 CO 0.38 0.54 0.03 1.88 -1.11 0.00 0.00 177.39 179.11 1m4q h TYR 32 N -0.56 0.56 -0.03 1.96 0.05 -0.93 -3.48 116.97 114.54 1m4q h TYR 32 Ca -0.41 -0.41 -0.01 0.00 0.05 0.00 0.00 58.73 57.95 1m4q h TYR 32 Cb 1.62 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.33 1m4q h TYR 32 CO 0.08 1.32 -0.01 0.36 -1.05 0.00 0.00 178.16 178.86 1m4q n LYS 33 N -4.11 -1.01 -0.01 4.88 -0.00 0.33 -4.78 118.16 113.47 1m4q n LYS 33 Ca -0.14 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1m4q n LYS 33 Cb 0.83 -4.08 -0.02 0.00 -0.00 0.00 0.00 35.03 31.76 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 -0.46 4.27 -4.91 -5.58 8.00 -1.26 -5.04 116.55 111.56 1m4q n ASP 34 Ca -0.01 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.22 1m4q n ASP 34 Cb 0.26 0.91 0.02 0.00 -0.02 0.00 0.00 41.12 42.29 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4q s LEU 35 N -3.63 3.43 -0.14 0.64 1.02 -1.26 -3.37 118.68 115.36 1m4q s LEU 35 Ca -0.01 0.82 -0.11 0.00 0.02 0.00 0.00 54.13 54.84 1m4q s LEU 35 Cb 0.02 -3.72 0.04 0.00 0.02 0.00 0.00 46.19 42.55 1m4q s LEU 35 CO 0.13 -0.82 0.37 -0.75 0.02 0.00 0.00 176.35 175.29 1m4q s LYS 36 N -4.87 0.40 0.26 1.70 2.20 0.29 -4.71 119.74 115.01 1m4q s LYS 36 Ca 0.51 0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.39 1m4q s LYS 36 Cb -0.10 0.13 -0.09 0.00 -1.51 0.00 0.00 37.83 36.26 1m4q s LYS 36 CO 0.45 -0.08 1.09 -1.25 -0.36 0.00 0.00 175.35 175.20 1m4q s PRO 37 N 0.53 4.65 0.01 4.03 0.04 -1.26 -1.65 135.00 141.35 1m4q s PRO 37 Ca -0.03 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1m4q s PRO 37 Cb -0.04 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1m4q s PRO 37 CO -0.03 0.22 -0.04 0.54 0.04 0.00 0.00 177.00 177.72 1m4q s VAL 38 N -1.03 0.31 0.20 -0.36 0.11 0.41 -4.94 120.40 115.10 1m4q s VAL 38 Ca 0.45 -0.34 -0.08 0.00 -2.93 0.00 0.00 61.98 59.08 1m4q s VAL 38 Cb -0.31 -0.30 -0.07 0.00 -1.53 0.00 0.00 36.38 34.17 1m4q s VAL 38 CO 0.40 -0.03 0.50 -0.22 -3.33 0.00 0.00 175.10 172.42 1m4q s LEU 39 N -0.39 4.20 0.18 2.54 1.98 -1.26 0.79 118.68 126.72 1m4q s LEU 39 Ca -0.01 0.84 -0.19 0.00 -2.89 0.00 0.00 54.13 51.87 1m4q s LEU 39 Cb -0.03 -3.57 0.04 0.00 0.66 0.00 0.00 46.19 43.29 1m4q s LEU 39 CO -0.00 -0.03 0.54 -0.62 -1.89 0.00 0.00 176.35 174.35 1m4q s ASP 40 N -2.35 -0.36 -0.28 3.68 -1.08 -0.36 -4.83 116.67 111.09 1m4q s ASP 40 Ca 0.45 -0.30 -0.23 0.00 -0.52 0.00 0.00 52.55 51.95 1m4q s ASP 40 Cb -0.12 0.58 0.10 0.00 -1.46 0.00 0.00 42.92 42.03 1m4q s ASP 40 CO 0.22 -1.01 0.88 -0.55 0.52 0.00 0.00 175.17 175.23 1m4q s SER 41 N -2.82 -0.62 0.13 -0.34 0.15 -1.26 0.12 113.70 109.05 1m4q s SER 41 Ca 0.05 1.13 -0.01 0.00 0.70 0.00 0.00 55.95 57.83 1m4q s SER 41 Cb -0.01 1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 65.44 1m4q s SER 41 CO -0.07 -0.19 0.04 -0.47 1.20 0.00 0.00 173.24 173.75 1m4q s TYR 42 N 0.62 0.85 0.25 3.44 5.04 -1.15 -4.78 117.35 121.63 1m4q s TYR 42 Ca -0.01 -1.20 -0.19 0.00 -2.44 0.00 0.00 57.07 53.23 1m4q s TYR 42 Cb -0.05 -0.49 -0.09 0.00 0.35 0.00 0.00 41.96 41.69 1m4q s TYR 42 CO -0.07 -0.48 0.75 0.14 -1.34 0.00 0.00 175.55 174.55 1m4q s VAL 43 N -4.00 4.56 0.10 3.14 -7.23 -1.26 -0.37 120.40 115.34 1m4q s VAL 43 Ca 0.22 1.26 0.00 0.00 -1.81 0.00 0.00 61.98 61.65 1m4q s VAL 43 Cb 0.07 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1m4q s VAL 43 CO 0.01 0.11 0.00 0.49 -0.31 0.00 0.00 175.10 175.40 1m4q n PHE 44 N 0.46 -1.50 -1.53 2.82 3.72 -1.11 -4.73 117.46 115.60 1m4q n PHE 44 Ca -0.01 0.24 -0.13 0.00 -0.05 0.00 0.00 57.45 57.51 1m4q n PHE 44 Cb 0.51 0.85 -0.10 0.00 -0.94 0.00 0.00 39.48 39.80 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 -2.79 1.13 -1.87 4.37 5.03 -1.26 -3.02 115.26 116.86 1m4q n ASN 45 Ca 0.00 -1.94 -0.12 0.00 0.87 0.00 0.00 54.58 53.39 1m4q n ASN 45 Cb 0.00 -1.57 -0.03 0.00 -1.02 0.00 0.00 39.78 37.16 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1m4q n ASP 46 N 17.79 -3.57 -0.17 6.41 8.00 -1.26 -3.51 116.55 140.24 1m4q n ASP 46 Ca 0.42 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1m4q n ASP 46 Cb 0.44 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 1m4q n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1m4q n GLY 47 N -0.50 0.61 3.06 0.44 0.00 -1.17 -5.13 105.19 102.51 1m4q n GLY 47 Ca -0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.95 -0.81 0.46 1.61 0.01 -1.23 -4.85 113.70 107.94 1m4q s SER 48 Ca 0.00 0.53 -0.22 0.00 1.31 0.00 0.00 55.95 57.58 1m4q s SER 48 Cb 0.00 1.77 -0.10 0.00 0.21 0.00 0.00 66.02 67.90 1m4q s SER 48 CO 0.00 -0.28 0.74 -1.54 0.41 0.00 0.00 173.24 172.57 1m4q n SER 49 N 5.40 -0.01 -3.92 2.44 3.41 -1.25 -2.74 113.62 116.95 1m4q n SER 49 Ca -0.01 0.91 -0.15 0.00 -0.26 0.00 0.00 58.87 59.36 1m4q n SER 49 Cb 0.51 -1.23 -0.14 0.00 -0.26 0.00 0.00 64.21 63.08 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 -1.93 0.29 -0.17 4.33 3.52 0.50 -4.86 118.95 120.62 1m4q s ARG 50 Ca 0.65 -0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.85 1m4q s ARG 50 Cb -0.54 -0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 32.52 1m4q s ARG 50 CO 0.56 0.06 1.62 -1.21 -0.81 0.00 0.00 175.30 175.52 1m4q s GLU 51 N 0.00 3.91 -0.21 5.12 8.01 -1.26 -2.96 118.70 131.32 1m4q s GLU 51 Ca 0.00 1.82 -0.04 0.00 0.01 0.00 0.00 54.97 56.77 1m4q s GLU 51 Cb -0.02 -4.01 0.09 0.00 -4.31 0.00 0.00 34.13 25.87 1m4q s GLU 51 CO -0.00 -1.15 0.17 -1.17 0.01 0.00 0.00 175.26 173.12 1m4q s LEU 52 N 4.85 0.09 0.63 1.80 0.20 0.31 -4.98 118.68 121.59 1m4q s LEU 52 Ca 0.72 -0.48 -0.11 0.00 0.69 0.00 0.00 54.13 54.95 1m4q s LEU 52 Cb -0.27 0.12 -0.03 0.00 -0.43 0.00 0.00 46.19 45.58 1m4q s LEU 52 CO 0.29 -0.35 1.03 -0.32 -0.29 0.00 0.00 176.35 176.71 1m4q s MET 53 N 2.25 3.43 0.08 1.98 -2.45 -1.26 -1.22 119.30 122.10 1m4q s MET 53 Ca 0.06 0.65 -0.10 0.00 -1.25 0.00 0.00 55.69 55.05 1m4q s MET 53 Cb -0.16 -2.08 0.00 0.00 1.25 0.00 0.00 34.83 33.85 1m4q s MET 53 CO -0.15 -0.66 0.22 0.54 1.05 0.00 0.00 175.02 176.02 1m4q s ASN 54 N -4.22 0.05 -0.03 1.11 4.22 0.24 -1.63 114.94 114.68 1m4q s ASN 54 Ca 0.55 -0.52 -0.03 0.00 -2.14 0.00 0.00 52.86 50.72 1m4q s ASN 54 Cb -0.11 0.34 -0.04 0.00 1.28 0.00 0.00 41.25 42.72 1m4q s ASN 54 CO 0.53 -0.69 0.16 -0.76 -2.04 0.00 0.00 177.10 174.30 1m4q s LEU 55 N -2.61 4.29 0.11 3.54 2.01 0.37 -0.44 118.68 125.94 1m4q s LEU 55 Ca 0.02 0.33 -0.08 0.00 0.01 0.00 0.00 54.13 54.41 1m4q s LEU 55 Cb 0.03 -2.46 -0.01 0.00 0.01 0.00 0.00 46.19 43.76 1m4q s LEU 55 CO -0.09 0.29 0.19 0.28 1.01 0.00 0.00 176.35 178.03 1m4q s THR 56 N -1.25 0.13 -5.00 5.49 -1.32 -0.66 -2.32 115.64 110.72 1m4q s THR 56 Ca 0.24 -1.30 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 1m4q s THR 56 Cb -0.12 -1.50 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1m4q s THR 56 CO 0.15 -0.59 0.00 0.61 -2.21 0.00 0.00 174.62 172.59 1m4q n GLY 57 N -0.09 0.71 3.09 6.08 0.00 -1.13 0.11 105.19 113.95 1m4q n GLY 57 Ca -0.13 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.96 -0.43 0.12 2.61 -4.23 -1.22 -2.13 115.64 106.39 1m4q s THR 58 Ca 0.00 0.24 -0.10 0.00 -1.18 0.00 0.00 61.69 60.64 1m4q s THR 58 Cb 0.00 -0.50 -0.06 0.00 1.34 0.00 0.00 72.50 73.28 1m4q s THR 58 CO 0.00 0.10 0.45 0.27 -0.54 0.00 0.00 174.62 174.90 1m4q s ILE 59 N 2.34 5.03 -0.19 2.99 -4.36 -0.80 -4.53 121.20 121.69 1m4q s ILE 59 Ca -0.01 0.51 -0.29 0.00 -0.26 0.00 0.00 60.65 60.60 1m4q s ILE 59 Cb -0.12 -3.66 -0.03 0.00 1.25 0.00 0.00 42.46 39.90 1m4q s ILE 59 CO -0.10 0.22 1.58 -2.16 0.24 0.00 0.00 174.94 174.72 1m4q s PRO 60 N -2.07 3.92 -0.43 0.37 0.04 -1.26 -1.49 135.00 134.08 1m4q s PRO 60 Ca 0.36 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 1m4q s PRO 60 Cb -0.14 -3.99 0.08 0.00 0.04 0.00 0.00 34.50 30.49 1m4q s PRO 60 CO 0.19 -1.14 0.28 0.08 0.04 0.00 0.00 177.00 176.44 1m4q s VAL 61 N 4.77 4.26 0.02 -0.36 1.01 0.14 -4.92 120.40 125.33 1m4q s VAL 61 Ca 0.69 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1m4q s VAL 61 Cb -0.26 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1m4q s VAL 61 CO 0.27 -0.54 1.02 -2.16 0.00 0.00 0.00 175.10 173.69 1m4q s PRO 62 N 1.42 4.55 0.00 2.72 0.04 -1.26 -0.76 135.00 141.71 1m4q s PRO 62 Ca 0.03 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1m4q s PRO 62 Cb -0.23 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1m4q s PRO 62 CO 0.02 -0.07 0.00 0.98 0.04 0.00 0.00 177.00 177.97 1m4q n TYR 63 N 3.80 -0.50 0.18 0.56 9.36 0.16 -4.39 117.16 126.33 1m4q n TYR 63 Ca 0.06 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.46 1m4q n TYR 63 Cb 0.50 0.00 0.80 0.00 -0.63 0.00 0.00 39.34 40.01 1m4q n TYR 63 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1m4q h ARG 64 N 0.00 0.00 0.00 2.98 2.47 -1.97 -3.31 114.38 114.55 1m4q h ARG 64 Ca 0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1m4q h ARG 64 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 1m4q h ARG 64 CO 0.00 0.00 -0.11 0.41 0.56 0.00 0.00 179.97 180.83 1m4q n GLY 65 N -1.44 0.51 1.04 0.04 0.00 -1.26 -5.15 105.19 98.94 1m4q n GLY 65 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.31 -3.17 1.61 4.13 -1.25 -5.16 115.26 111.11 1m4q n ASN 66 Ca -0.10 -1.66 0.03 0.00 1.68 0.00 0.00 54.58 54.53 1m4q n ASN 66 Cb 0.48 0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 39.35 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1m4q s THR 67 N -2.48 -0.96 0.20 3.41 2.01 -1.26 0.37 115.64 116.94 1m4q s THR 67 Ca 0.11 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.11 1m4q s THR 67 Cb 0.00 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.56 1m4q s THR 67 CO 0.08 -0.02 0.27 -1.22 -0.69 0.00 0.00 174.62 173.04 1m4q n TYR 68 N 5.42 -2.89 -3.89 4.92 4.02 0.06 -4.77 117.16 120.02 1m4q n TYR 68 Ca 0.02 -0.65 -0.30 0.00 -0.01 0.00 0.00 57.90 56.95 1m4q n TYR 68 Cb 0.52 -0.19 -0.15 0.00 -0.02 0.00 0.00 39.34 39.50 1m4q n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4q s ASN 69 N -2.19 4.38 0.11 7.72 0.01 -1.26 0.25 114.94 123.96 1m4q s ASN 69 Ca 0.20 -2.17 -0.30 0.00 -0.71 0.00 0.00 52.86 49.87 1m4q s ASN 69 Cb -0.01 -1.35 -0.07 0.00 0.41 0.00 0.00 41.25 40.23 1m4q s ASN 69 CO 0.13 -0.36 1.19 -0.51 -1.51 0.00 0.00 177.10 176.04 1m4q s ILE 70 N 0.89 3.86 0.48 0.60 1.10 -0.56 -4.74 121.20 122.83 1m4q s ILE 70 Ca 0.12 1.42 -0.22 0.00 -0.51 0.00 0.00 60.65 61.47 1m4q s ILE 70 Cb -0.20 -3.91 -0.07 0.00 0.15 0.00 0.00 42.46 38.43 1m4q s ILE 70 CO -0.11 0.16 1.13 -2.16 -2.11 0.00 0.00 174.94 171.85 1m4q s PRO 71 N 0.52 3.66 -0.05 3.50 0.04 -1.26 -1.90 135.00 139.52 1m4q s PRO 71 Ca 0.56 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 63.21 1m4q s PRO 71 Cb -0.31 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1m4q s PRO 71 CO 0.32 -0.61 0.16 0.42 0.04 0.00 0.00 177.00 177.33 1m4q s ILE 72 N -1.66 0.02 -0.32 0.56 -1.09 -0.91 -4.34 121.20 113.46 1m4q s ILE 72 Ca 0.66 -0.14 0.06 0.00 -2.23 0.00 0.00 60.65 59.00 1m4q s ILE 72 Cb -0.26 -0.27 0.19 0.00 -1.58 0.00 0.00 42.46 40.54 1m4q s ILE 72 CO 0.30 -0.08 0.57 0.00 -1.23 0.00 0.00 174.94 174.50 1m4q s LEU 74 N 2.55 2.30 0.90 0.00 2.34 -0.98 0.74 118.68 126.53 1m4q s LEU 74 Ca 0.11 -0.63 -0.14 0.00 0.06 0.00 0.00 54.13 53.54 1m4q s LEU 74 Cb -0.09 -0.24 0.14 0.00 -0.56 0.00 0.00 46.19 45.43 1m4q s LEU 74 CO -0.22 -0.21 1.22 0.26 -1.06 0.00 0.00 176.35 176.34 1m4q s TRP 75 N -1.66 2.30 -0.31 3.48 0.52 -1.10 -0.48 118.94 121.69 1m4q s TRP 75 Ca -0.05 0.61 -0.00 0.00 0.02 0.00 0.00 56.10 56.67 1m4q s TRP 75 Cb -0.08 -3.69 0.13 0.00 -1.15 0.00 0.00 33.47 28.68 1m4q s TRP 75 CO 0.00 -2.27 0.27 -1.17 0.02 0.00 0.00 176.95 173.80 1m4q s LEU 76 N -5.83 0.01 1.07 2.99 2.96 -0.64 -4.75 118.68 114.49 1m4q s LEU 76 Ca 0.67 -1.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.35 1m4q s LEU 76 Cb -0.09 0.31 0.23 0.00 0.50 0.00 0.00 46.19 47.13 1m4q s LEU 76 CO 0.51 -0.37 1.10 -0.22 -1.32 0.00 0.00 176.35 176.05 1m4q s LEU 77 N 2.07 1.25 0.04 -0.68 1.98 -1.26 -4.42 118.68 117.67 1m4q s LEU 77 Ca 0.11 0.98 -0.27 0.00 -2.89 0.00 0.00 54.13 52.06 1m4q s LEU 77 Cb -0.15 -3.00 -0.17 0.00 0.66 0.00 0.00 46.19 43.53 1m4q s LEU 77 CO -0.26 -3.50 1.47 0.44 -1.89 0.00 0.00 176.35 172.60 1m4q h ASP 78 N -2.15 -0.38 0.00 3.68 5.19 -1.98 -3.46 116.42 117.33 1m4q h ASP 78 Ca -0.52 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 1m4q h ASP 78 Cb 1.32 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1m4q h ASP 78 CO 0.50 -0.14 0.00 1.07 -3.12 0.00 0.00 179.24 177.55 1m4q n THR 79 N -5.21 0.00 -3.81 0.35 5.66 -1.26 -4.44 114.28 105.56 1m4q n THR 79 Ca -0.10 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.78 1m4q n THR 79 Cb 0.24 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.17 -0.84 1.09 5.04 -1.26 -4.20 117.35 117.00 1m4q s TYR 80 Ca 0.00 0.40 0.25 0.00 -2.44 0.00 0.00 57.07 55.29 1m4q s TYR 80 Cb 0.00 0.06 0.97 0.00 0.35 0.00 0.00 41.96 43.34 1m4q s TYR 80 CO 0.00 -0.17 1.79 -0.35 -1.34 0.00 0.00 175.55 175.47 1m4q n PRO 81 N 2.50 0.12 0.11 4.97 -0.04 -1.26 -4.60 135.00 136.80 1m4q n PRO 81 Ca -0.15 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1m4q n PRO 81 Cb 0.58 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1m4q n PRO 81 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1m4q n TYR 82 N -1.86 -3.37 -3.82 0.54 9.36 -1.26 -5.16 117.16 111.59 1m4q n TYR 82 Ca 0.05 0.75 -0.10 0.00 3.32 0.00 0.00 57.90 61.93 1m4q n TYR 82 Cb 0.33 2.09 -0.06 0.00 -0.63 0.00 0.00 39.34 41.07 1m4q n TYR 82 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1m4q s ASN 83 N -2.32 -0.06 -0.41 2.98 -0.87 -1.26 -4.86 114.94 108.13 1m4q s ASN 83 Ca 0.00 -0.62 -0.28 0.00 -1.57 0.00 0.00 52.86 50.39 1m4q s ASN 83 Cb 0.00 0.45 -0.00 0.00 -0.02 0.00 0.00 41.25 41.68 1m4q s ASN 83 CO 0.00 -0.88 1.58 -2.16 -2.57 0.00 0.00 177.10 173.07 1m4q s PRO 84 N -3.89 3.40 0.10 -0.60 0.04 -1.26 -4.87 135.00 127.92 1m4q s PRO 84 Ca 0.09 1.03 0.16 0.00 0.04 0.00 0.00 61.00 62.33 1m4q s PRO 84 Cb 0.02 -4.12 -0.11 0.00 0.04 0.00 0.00 34.50 30.34 1m4q s PRO 84 CO -0.06 -1.78 0.95 -1.00 0.04 0.00 0.00 177.00 175.14 1m4q h PRO 85 N 11.78 0.00 -6.31 0.56 0.13 -1.95 -3.46 132.00 132.75 1m4q h PRO 85 Ca -0.29 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 1m4q h PRO 85 Cb 1.13 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.27 1m4q h PRO 85 CO 1.09 0.36 1.18 0.42 -0.23 0.00 0.00 178.00 180.82 1m4q s ILE 86 N -2.91 3.26 -0.05 -3.56 -1.09 -1.26 -4.98 121.20 110.61 1m4q s ILE 86 Ca -0.02 0.31 -0.06 0.00 -2.23 0.00 0.00 60.65 58.66 1m4q s ILE 86 Cb 0.08 -3.21 0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1m4q s ILE 86 CO 0.80 -0.03 0.16 0.00 -1.23 0.00 0.00 174.94 174.64 1m4q s PHE 88 N -0.21 -0.29 0.06 0.00 0.08 0.23 -3.42 117.98 114.42 1m4q s PHE 88 Ca -0.03 0.71 -0.10 0.00 0.12 0.00 0.00 56.93 57.63 1m4q s PHE 88 Cb -0.02 0.09 -0.06 0.00 -0.57 0.00 0.00 43.02 42.46 1m4q s PHE 88 CO 0.00 -0.16 0.37 0.54 -0.10 0.00 0.00 175.22 175.88 1m4q s VAL 89 N 0.37 5.13 -0.49 -0.44 0.11 -0.74 0.00 120.40 124.35 1m4q s VAL 89 Ca -0.02 0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 59.29 1m4q s VAL 89 Cb -0.04 -3.63 0.08 0.00 -1.53 0.00 0.00 36.38 31.26 1m4q s VAL 89 CO -0.02 0.33 0.47 -0.54 -3.33 0.00 0.00 175.10 172.01 1m4q s LYS 90 N -1.81 3.01 -0.19 1.54 -0.14 -1.26 -4.78 119.74 116.10 1m4q s LYS 90 Ca 0.31 -1.28 -0.20 0.00 -1.36 0.00 0.00 55.97 53.44 1m4q s LYS 90 Cb -0.14 -4.15 -0.03 0.00 -1.68 0.00 0.00 37.83 31.83 1m4q s LYS 90 CO 0.17 -1.12 0.59 -1.25 -0.76 0.00 0.00 175.35 172.98 1m4q s PRO 91 N 1.90 4.21 0.68 -1.68 0.04 -1.26 -4.67 135.00 134.22 1m4q s PRO 91 Ca 0.07 0.55 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 1m4q s PRO 91 Cb -0.24 -3.57 -0.00 0.00 0.04 0.00 0.00 34.50 30.74 1m4q s PRO 91 CO 0.07 -0.19 1.07 0.95 0.04 0.00 0.00 177.00 178.95 1m4q s THR 92 N 1.76 3.91 0.48 1.26 -4.23 -1.26 -4.89 115.64 112.66 1m4q s THR 92 Ca 0.27 0.62 0.20 0.00 -1.18 0.00 0.00 61.69 61.60 1m4q s THR 92 Cb -0.16 -3.59 0.37 0.00 1.34 0.00 0.00 72.50 70.47 1m4q s THR 92 CO 0.10 -0.81 1.97 0.77 -0.54 0.00 0.00 174.62 176.11 1m4q h SER 93 N -0.57 0.19 -0.32 3.99 4.64 -2.06 0.20 113.55 119.62 1m4q h SER 93 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1m4q h SER 93 Cb 1.23 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1m4q h SER 93 CO 0.63 0.10 0.00 -0.24 -0.87 0.00 0.00 176.83 176.45 1m4q n SER 94 N -4.43 3.03 -4.95 4.97 2.88 -1.26 -4.95 113.62 108.92 1m4q n SER 94 Ca 0.11 -1.93 -0.23 0.00 -1.33 0.00 0.00 58.87 55.49 1m4q n SER 94 Cb 0.54 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1m4q n SER 94 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1m4q s MET 95 N -1.59 3.24 -0.05 -1.46 0.00 0.71 -2.72 119.30 117.43 1m4q s MET 95 Ca 0.37 -0.42 -0.02 0.00 0.00 0.00 0.00 55.69 55.62 1m4q s MET 95 Cb 0.21 -2.60 0.03 0.00 0.00 0.00 0.00 34.83 32.48 1m4q s MET 95 CO 0.30 -0.11 0.04 0.99 0.00 0.00 0.00 175.02 176.25 1m4q s THR 96 N -2.47 0.01 0.60 10.11 2.01 -1.16 -4.75 115.64 119.99 1m4q s THR 96 Ca 0.45 0.35 -0.17 0.00 0.31 0.00 0.00 61.69 62.63 1m4q s THR 96 Cb -0.10 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1m4q s THR 96 CO 0.37 0.20 1.10 -0.63 -0.69 0.00 0.00 174.62 174.97 1m4q s ILE 97 N 2.10 3.34 -0.36 1.82 1.01 -1.26 -1.89 121.20 125.96 1m4q s ILE 97 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1m4q s ILE 97 Cb -0.12 -3.23 0.14 0.00 0.01 0.00 0.00 42.46 39.26 1m4q s ILE 97 CO -0.04 -0.31 0.23 -0.75 0.00 0.00 0.00 174.94 174.07 1m4q s LYS 98 N -3.77 0.58 0.77 2.79 2.20 0.57 -4.84 119.74 118.04 1m4q s LYS 98 Ca 0.68 -1.40 -0.11 0.00 -0.36 0.00 0.00 55.97 54.78 1m4q s LYS 98 Cb -0.21 -1.30 0.05 0.00 -1.51 0.00 0.00 37.83 34.87 1m4q s LYS 98 CO 0.35 -1.23 1.08 0.95 -0.36 0.00 0.00 175.35 176.14 1m4q s THR 99 N 0.97 3.41 0.00 3.43 -4.23 -1.26 -4.57 115.64 113.39 1m4q s THR 99 Ca 0.20 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1m4q s THR 99 Cb -0.20 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1m4q s THR 99 CO -0.01 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1m4q n GLY 100 N -1.56 0.00 0.26 3.99 0.00 -1.19 -4.88 105.19 101.82 1m4q n GLY 100 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1m4q n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m4q n LYS 101 N 0.00 0.00 0.02 1.61 5.02 -1.26 -4.79 118.16 118.76 1m4q n LYS 101 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1m4q n LYS 101 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 1m4q n LYS 101 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1m4q n HIS 102 N -0.46 0.21 -3.58 2.13 8.25 -1.26 -4.48 115.22 116.03 1m4q n HIS 102 Ca 0.00 0.06 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 1m4q n HIS 102 Cb 0.00 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 30.67 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 -3.19 0.03 -0.07 1.59 1.01 -1.26 -3.77 120.40 114.74 1m4q s VAL 103 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1m4q s VAL 103 Cb 0.15 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1m4q s VAL 103 CO 0.81 -0.15 -0.07 0.44 0.00 0.00 0.00 175.10 176.14 1m4q h ASP 104 N 2.79 0.00 0.00 3.32 5.19 -1.80 -3.14 116.42 122.77 1m4q h ASP 104 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1m4q h ASP 104 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1m4q h ASP 104 CO 0.41 0.38 0.00 0.00 -3.12 0.00 0.00 179.24 176.92 1m4q n ALA 105 N -2.84 0.00 0.11 3.45 0.00 -1.26 -4.78 120.51 115.19 1m4q n ALA 105 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.51 1m4q n ALA 105 Cb 0.10 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.81 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 3.17 0.00 0.00 5.03 -1.26 -4.90 115.26 117.30 1m4q n ASN 106 Ca 0.00 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.45 1m4q n ASN 106 Cb 0.00 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.36 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1m4q n GLY 107 N 1.44 1.31 3.77 7.41 0.00 -1.26 -4.87 105.19 112.99 1m4q n GLY 107 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1m4q n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4q s LYS 108 N -0.98 4.28 -0.12 1.61 -2.85 -1.26 -1.79 119.74 118.62 1m4q s LYS 108 Ca 0.00 2.08 -0.29 0.00 -1.00 0.00 0.00 55.97 56.76 1m4q s LYS 108 Cb 0.00 -2.96 -0.01 0.00 -2.06 0.00 0.00 37.83 32.80 1m4q s LYS 108 CO 0.00 -0.20 0.97 0.42 0.10 0.00 0.00 175.35 176.63 1m4q s ILE 109 N -1.21 4.80 -0.64 3.79 1.01 -1.22 -2.31 121.20 125.42 1m4q s ILE 109 Ca 0.51 1.95 -0.02 0.00 0.00 0.00 0.00 60.65 63.09 1m4q s ILE 109 Cb -0.37 -4.27 0.35 0.00 0.01 0.00 0.00 42.46 38.18 1m4q s ILE 109 CO 0.48 0.01 2.10 0.00 0.00 0.00 0.00 174.94 177.52 1m4q n TYR 110 N 5.08 2.77 -4.10 3.97 9.36 -1.25 -4.90 117.16 128.10 1m4q n TYR 110 Ca 0.08 -2.60 -0.33 0.00 3.32 0.00 0.00 57.90 58.37 1m4q n TYR 110 Cb 0.49 -1.31 -0.16 0.00 -0.63 0.00 0.00 39.34 37.73 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 -3.44 2.32 -1.16 2.98 1.43 -1.26 -4.76 118.68 114.79 1m4q s LEU 111 Ca 0.56 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1m4q s LEU 111 Cb 0.44 -1.50 -0.11 0.00 0.03 0.00 0.00 46.19 45.05 1m4q s LEU 111 CO -0.13 -0.02 2.82 -0.81 0.23 0.00 0.00 176.35 178.44 1m4q n PRO 112 N 4.61 2.96 -0.24 1.29 -0.04 -1.26 -4.68 135.00 137.64 1m4q n PRO 112 Ca -0.20 -1.78 0.04 0.00 -0.04 0.00 0.00 63.50 61.53 1m4q n PRO 112 Cb 0.49 -2.56 0.15 0.00 -0.04 0.00 0.00 33.50 31.55 1m4q n PRO 112 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4q h TYR 113 N 5.00 0.09 -0.07 0.54 0.05 -1.95 0.22 116.97 120.85 1m4q h TYR 113 Ca 0.66 0.05 -0.05 0.00 0.05 0.00 0.00 58.73 59.43 1m4q h TYR 113 Cb 0.45 0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1m4q h TYR 113 CO 1.87 -0.16 -0.16 1.25 -1.05 0.00 0.00 178.16 179.91 1m4q h LEU 114 N 0.17 0.26 -0.63 3.88 6.46 -1.94 -2.68 115.31 120.82 1m4q h LEU 114 Ca 0.39 -0.59 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1m4q h LEU 114 Cb 0.67 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1m4q h LEU 114 CO -0.56 0.80 0.00 1.57 -0.62 0.00 0.00 178.44 179.62 1m4q n HIS 115 N -4.59 0.40 0.00 1.25 -0.00 -0.71 -3.46 115.22 108.11 1m4q n HIS 115 Ca -0.08 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1m4q n HIS 115 Cb 0.39 -0.80 0.00 0.00 -0.12 0.00 0.00 29.99 29.46 1m4q n HIS 115 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1m4q n GLU 116 N -1.89 0.00 0.00 1.57 2.13 0.70 -4.95 120.64 118.20 1m4q n GLU 116 Ca 0.00 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1m4q n GLU 116 Cb 0.07 -0.37 0.00 0.00 0.27 0.00 0.00 31.44 31.42 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 -1.82 0.00 -4.01 4.31 -0.00 -1.02 -4.93 117.44 109.98 1m4q n TRP 117 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.19 1m4q n TRP 117 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.29 1m4q n TRP 117 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1m4q n LYS 118 N -0.20 -1.87 -0.03 5.87 2.85 -1.22 -4.89 118.16 118.66 1m4q n LYS 118 Ca 0.00 0.29 -0.17 0.00 -1.05 0.00 0.00 58.31 57.38 1m4q n LYS 118 Cb 0.00 -3.90 -0.07 0.00 -0.65 0.00 0.00 35.03 30.41 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1m4q h HIS 119 N -1.97 1.03 0.29 5.58 2.76 -1.91 -3.47 115.15 117.45 1m4q h HIS 119 Ca -0.66 -0.44 -0.01 0.00 -2.20 0.00 0.00 60.37 57.06 1m4q h HIS 119 Cb 1.38 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.18 1m4q h HIS 119 CO 0.45 1.27 -0.14 -1.00 -1.30 0.00 0.00 177.93 177.21 1m4q h PRO 120 N 0.51 -0.37 0.00 5.26 0.13 -1.99 -3.50 132.00 132.04 1m4q h PRO 120 Ca -0.04 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1m4q h PRO 120 Cb 1.33 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1m4q h PRO 120 CO 0.15 -0.25 0.00 1.04 -0.23 0.00 0.00 178.00 178.71 1m4q n GLN 121 N -4.57 0.00 -2.78 0.86 3.00 -1.26 -4.87 117.38 107.76 1m4q n GLN 121 Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.52 1m4q n GLN 121 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.36 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1m4q s SER 122 N 0.00 7.05 0.75 1.08 0.15 -1.26 -5.04 113.70 116.43 1m4q s SER 122 Ca 0.00 1.30 -0.01 0.00 0.70 0.00 0.00 55.95 57.94 1m4q s SER 122 Cb 0.00 -2.50 0.15 0.00 -1.71 0.00 0.00 66.02 61.96 1m4q s SER 122 CO 0.00 -0.50 1.02 -0.90 1.20 0.00 0.00 173.24 174.05 1m4q n ASP 123 N 5.60 1.31 -0.35 5.45 5.75 -1.26 -4.80 116.55 128.25 1m4q n ASP 123 Ca 0.08 -2.12 0.25 0.00 -0.01 0.00 0.00 54.79 52.99 1m4q n ASP 123 Cb 0.48 -0.66 0.50 0.00 -1.03 0.00 0.00 41.12 40.41 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 0.48 -0.21 -2.12 5.85 -1.96 0.25 115.31 117.59 1m4q h LEU 124 Ca -0.34 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1m4q h LEU 124 Cb 1.23 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1m4q h LEU 124 CO 0.35 -0.06 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.23 1m4q h LEU 125 N 0.34 0.45 -1.67 2.25 -0.00 -1.93 -3.06 115.31 111.69 1m4q h LEU 125 Ca 0.71 -0.41 -0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1m4q h LEU 125 Cb 1.73 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 42.25 1m4q h LEU 125 CO -0.48 0.76 0.17 1.23 -0.00 0.00 0.00 178.44 180.12 1m4q h GLY 126 N 0.14 0.42 0.26 0.83 0.00 -0.90 -1.72 103.07 102.10 1m4q h GLY 126 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1m4q h GLY 126 CO 0.03 0.16 -0.16 -2.00 0.00 0.00 0.00 176.54 174.57 1m4q h LEU 127 N 0.40 -0.41 -1.96 3.11 6.46 -1.12 -2.34 115.31 119.44 1m4q h LEU 127 Ca 0.11 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.96 1m4q h LEU 127 Cb -0.01 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1m4q h LEU 127 CO -0.02 -0.25 0.19 0.40 -0.62 0.00 0.00 178.44 178.14 1m4q h ILE 128 N -0.40 0.89 -0.73 4.05 5.03 -1.55 -1.61 117.51 123.20 1m4q h ILE 128 Ca -0.04 -0.02 0.06 0.00 -0.12 0.00 0.00 64.86 64.75 1m4q h ILE 128 Cb 0.32 0.84 -0.06 0.00 -3.03 0.00 0.00 36.82 34.89 1m4q h ILE 128 CO 0.04 0.01 0.43 -0.61 -0.68 0.00 0.00 178.15 177.33 1m4q h GLN 129 N 0.05 0.77 -0.11 2.37 4.15 -1.05 0.21 115.11 121.50 1m4q h GLN 129 Ca 0.12 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1m4q h GLN 129 Cb 0.43 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1m4q h GLN 129 CO -0.01 0.51 0.03 0.28 -1.93 0.00 0.00 178.83 177.71 1m4q h VAL 130 N 0.79 1.19 -0.48 2.39 2.07 -0.75 0.01 116.25 121.47 1m4q h VAL 130 Ca 0.32 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.29 1m4q h VAL 130 Cb 0.17 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1m4q h VAL 130 CO -0.17 0.17 0.32 -0.03 0.02 0.00 0.00 177.57 177.87 1m4q h MET 131 N -0.03 0.49 -0.34 1.57 1.85 -1.31 0.95 114.93 118.11 1m4q h MET 131 Ca 0.03 -0.03 -0.15 0.00 -0.61 0.00 0.00 59.70 58.94 1m4q h MET 131 Cb 0.24 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.16 1m4q h MET 131 CO 0.00 0.32 -0.38 0.82 -0.40 0.00 0.00 176.91 177.27 1m4q h ILE 132 N 0.50 1.28 0.16 1.77 2.04 -0.17 0.39 117.51 123.49 1m4q h ILE 132 Ca 0.20 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1m4q h ILE 132 Cb 0.15 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1m4q h ILE 132 CO -0.05 0.51 -0.07 0.58 0.00 0.00 0.00 178.15 179.12 1m4q h VAL 133 N 0.66 0.97 0.15 1.67 2.07 0.15 0.49 116.25 122.42 1m4q h VAL 133 Ca 0.05 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1m4q h VAL 133 Cb 0.97 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1m4q h VAL 133 CO 0.09 0.15 -0.07 0.58 0.02 0.00 0.00 177.57 178.34 1m4q h VAL 134 N -0.53 0.85 0.00 2.57 2.07 -0.91 -1.88 116.25 118.43 1m4q h VAL 134 Ca -0.02 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1m4q h VAL 134 Cb 0.41 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1m4q h VAL 134 CO 0.03 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.37 1m4q h PHE 135 N -0.20 0.00 -0.72 1.57 -1.00 -0.95 0.06 116.94 115.69 1m4q h PHE 135 Ca -0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 1m4q h PHE 135 Cb 0.16 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 1m4q h PHE 135 CO -0.07 0.00 0.33 0.78 -1.61 0.00 0.00 178.31 177.74 1m4q h GLY 136 N 1.51 1.11 0.00 -1.45 0.00 -0.02 -3.35 103.07 100.88 1m4q h GLY 136 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 47.33 46.57 1m4q h GLY 136 CO 0.00 0.53 -1.76 1.22 0.00 0.00 0.00 176.54 176.53 1m4q n ASP 137 N -4.32 2.47 -4.52 0.19 9.92 -1.10 -4.13 116.55 115.07 1m4q n ASP 137 Ca 0.07 -0.01 -0.43 0.00 -0.53 0.00 0.00 54.79 53.89 1m4q n ASP 137 Cb 0.15 -0.26 -0.05 0.00 -0.64 0.00 0.00 41.12 40.32 1m4q n ASP 137 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1m4q s GLU 138 N -2.26 3.33 -0.39 -1.24 0.41 -0.01 -5.02 118.70 113.52 1m4q s GLU 138 Ca -0.18 -0.28 -0.29 0.00 -0.41 0.00 0.00 54.97 53.81 1m4q s GLU 138 Cb 0.05 -4.00 0.01 0.00 -1.78 0.00 0.00 34.13 28.41 1m4q s GLU 138 CO 0.29 -1.23 1.41 -1.25 -0.49 0.00 0.00 175.26 173.99 1m4q s PRO 139 N 3.36 3.61 0.20 0.39 0.04 -1.26 -4.03 135.00 137.32 1m4q s PRO 139 Ca 0.27 1.00 0.16 0.00 0.04 0.00 0.00 61.00 62.48 1m4q s PRO 139 Cb -0.13 -4.01 -0.01 0.00 0.04 0.00 0.00 34.50 30.39 1m4q s PRO 139 CO 0.20 -1.52 1.21 -1.00 0.04 0.00 0.00 177.00 175.93 1m4q h PRO 140 N 10.60 0.00 -1.35 0.56 0.13 -1.87 -3.43 132.00 136.64 1m4q h PRO 140 Ca -0.28 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.66 1m4q h PRO 140 Cb 1.11 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.01 1m4q h PRO 140 CO 1.08 0.40 -0.55 0.54 -0.23 0.00 0.00 178.00 179.23 1m4q s VAL 141 N -2.97 -0.73 -0.12 1.56 0.11 -1.26 -0.32 120.40 116.67 1m4q s VAL 141 Ca 0.01 -0.59 -0.18 0.00 -2.93 0.00 0.00 61.98 58.30 1m4q s VAL 141 Cb 0.08 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 1m4q s VAL 141 CO 0.77 -0.24 0.48 0.72 -3.33 0.00 0.00 175.10 173.50 1m4q s PHE 142 N 1.48 3.52 0.57 1.54 -0.71 -0.79 -4.72 117.98 118.86 1m4q s PHE 142 Ca 0.19 0.90 -0.04 0.00 -1.04 0.00 0.00 56.93 56.94 1m4q s PHE 142 Cb -0.06 -2.56 0.01 0.00 -1.21 0.00 0.00 43.02 39.20 1m4q s PHE 142 CO -0.06 0.17 0.85 0.45 -1.34 0.00 0.00 175.22 175.30 1m4q s SER 143 N 0.61 5.56 0.47 1.98 0.15 -1.26 -2.98 113.70 118.23 1m4q s SER 143 Ca 0.26 0.56 -0.21 0.00 0.70 0.00 0.00 55.95 57.26 1m4q s SER 143 Cb -0.15 -1.57 -0.09 0.00 -1.71 0.00 0.00 66.02 62.50 1m4q s SER 143 CO 0.10 -1.04 1.03 -0.60 1.20 0.00 0.00 173.24 173.94 1m4q s ARG 144 N -4.91 3.87 0.00 5.44 3.52 -1.10 -4.89 118.95 120.88 1m4q s ARG 144 Ca 0.53 1.34 0.17 0.00 -0.13 0.00 0.00 55.73 57.64 1m4q s ARG 144 Cb -0.10 -2.13 1.02 0.00 -1.56 0.00 0.00 34.95 32.18 1m4q s ARG 144 CO 0.43 -0.37 1.42 -0.35 -0.81 0.00 0.00 175.30 175.63