#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 0.92 0.68 0.00 3.14 -1.26 -4.28 118.33 117.53 1m4q n VAL 3 Ca 0.00 -0.72 0.13 0.00 -2.96 0.00 0.00 64.34 60.79 1m4q n VAL 3 Cb 0.00 -0.33 0.46 0.00 -1.06 0.00 0.00 33.84 32.92 1m4q n VAL 3 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1m4q n SER 4 N -2.56 0.56 -0.21 6.55 7.64 -1.26 -3.72 113.62 120.63 1m4q n SER 4 Ca -0.23 0.57 0.01 0.00 1.01 0.00 0.00 58.87 60.23 1m4q n SER 4 Cb 0.95 -0.71 0.12 0.00 -1.01 0.00 0.00 64.21 63.56 1m4q n SER 4 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1m4q h GLU 5 N 0.00 0.33 -0.54 1.43 4.81 -2.00 0.49 114.58 119.10 1m4q h GLU 5 Ca 0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1m4q h GLU 5 Cb 0.61 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1m4q h GLU 5 CO 0.00 0.22 0.35 0.77 -0.73 0.00 0.00 179.01 179.61 1m4q h SER 6 N 0.34 0.58 0.56 1.04 0.02 -1.86 -1.90 113.55 112.33 1m4q h SER 6 Ca 0.33 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.17 1m4q h SER 6 Cb 0.46 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1m4q h SER 6 CO -0.37 0.42 -0.45 -0.61 -1.14 0.00 0.00 176.83 174.67 1m4q h GLN 7 N 0.70 0.00 -0.01 3.45 4.15 -1.42 -3.16 115.11 118.82 1m4q h GLN 7 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.63 1m4q h GLN 7 Cb -0.04 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1m4q h GLN 7 CO -0.07 0.45 -0.02 1.25 -1.93 0.00 0.00 178.83 178.52 1m4q h LEU 8 N 0.00 -0.06 -0.69 -2.39 5.85 0.73 0.11 115.31 118.86 1m4q h LEU 8 Ca -0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1m4q h LEU 8 Cb 0.86 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1m4q h LEU 8 CO 0.06 -0.03 0.34 0.50 -0.34 0.00 0.00 178.44 178.97 1m4q h LYS 9 N -0.03 0.58 0.00 1.25 3.64 -1.45 0.26 116.57 120.82 1m4q h LYS 9 Ca 0.01 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1m4q h LYS 9 Cb 0.05 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1m4q h LYS 9 CO -0.03 0.38 -0.26 0.87 -2.27 0.00 0.00 179.45 178.15 1m4q h LYS 10 N 0.60 0.00 0.00 1.90 1.57 -1.50 -2.80 116.57 116.34 1m4q h LYS 10 Ca 0.34 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1m4q h LYS 10 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1m4q h LYS 10 CO -0.25 0.26 -0.01 0.52 -0.57 0.00 0.00 179.45 179.39 1m4q h MET 11 N 0.00 0.00 0.00 3.15 2.86 0.14 -3.36 114.93 117.72 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 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1m4q h MET 11 CO 0.03 0.01 0.00 1.33 1.06 0.00 0.00 176.91 179.34 1m4q n VAL 12 N -3.26 0.00 -2.53 -2.22 0.24 -1.07 -4.97 118.33 104.51 1m4q n VAL 12 Ca -0.02 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.10 1m4q n VAL 12 Cb 0.12 -0.75 -0.00 0.00 -1.47 0.00 0.00 33.84 31.73 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 -1.07 -4.96 0.00 -1.34 7.64 -1.14 -4.71 113.62 108.05 1m4q n SER 13 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1m4q n SER 13 Cb 0.00 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 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 -3.06 0.00 -1.34 1.43 5.02 -1.26 -5.13 118.16 113.82 1m4q n LYS 14 Ca -0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.80 1m4q n LYS 14 Cb 0.64 -0.08 0.09 0.00 -0.02 0.00 0.00 35.03 35.66 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 2.68 0.31 2.13 2.02 -1.26 -4.94 117.35 118.29 1m4q s TYR 15 Ca 0.00 1.47 0.00 0.00 -0.37 0.00 0.00 57.07 58.17 1m4q s TYR 15 Cb 0.00 -3.03 0.50 0.00 -0.40 0.00 0.00 41.96 39.03 1m4q s TYR 15 CO 0.00 -1.75 1.91 -0.22 -1.57 0.00 0.00 175.55 173.92 1m4q h LYS 16 N -1.09 0.85 -2.16 -0.62 1.63 -1.96 -3.33 116.57 109.89 1m4q h LYS 16 Ca -0.44 -0.11 -0.57 0.00 -0.85 0.00 0.00 60.65 58.67 1m4q h LYS 16 Cb 1.23 -0.16 -0.39 0.00 -0.60 0.00 0.00 32.23 32.32 1m4q h LYS 16 CO 0.53 0.67 -1.04 0.66 -3.45 0.00 0.00 179.45 176.82 1m4q n TYR 17 N -4.35 -0.46 -0.19 1.91 4.02 -1.26 -4.99 117.16 111.84 1m4q n TYR 17 Ca 0.05 -3.48 -0.02 0.00 -0.01 0.00 0.00 57.90 54.44 1m4q n TYR 17 Cb 0.14 -0.12 0.05 0.00 -0.02 0.00 0.00 39.34 39.39 1m4q n TYR 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1m4q h ARG 18 N 4.66 -0.01 0.51 -0.72 3.08 -1.96 0.96 114.38 120.90 1m4q h ARG 18 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1m4q h ARG 18 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1m4q h ARG 18 CO 0.44 -0.01 -0.36 -0.44 -1.07 0.00 0.00 179.97 178.53 1m4q h ASP 19 N -0.01 -0.93 0.47 7.04 5.19 -1.94 0.88 116.42 127.11 1m4q h ASP 19 Ca 0.28 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.74 1m4q h ASP 19 Cb 0.44 0.29 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 1m4q h ASP 19 CO -0.60 -0.54 -0.06 -0.07 -3.12 0.00 0.00 179.24 174.84 1m4q h LEU 20 N -0.84 0.00 0.09 1.55 4.07 -1.82 0.47 115.31 118.82 1m4q h LEU 20 Ca -0.06 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.72 1m4q h LEU 20 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1m4q h LEU 20 CO 0.03 0.06 -0.90 0.74 -1.08 0.00 0.00 178.44 177.29 1m4q h THR 21 N 0.00 1.36 -0.20 0.22 2.02 0.16 -2.94 112.91 113.52 1m4q h THR 21 Ca -0.00 -2.43 -0.04 0.00 0.77 0.00 0.00 66.41 64.71 1m4q h THR 21 Cb 0.32 2.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1m4q h THR 21 CO 0.01 0.65 -0.04 0.58 0.37 0.00 0.00 175.52 177.09 1m4q h VAL 22 N -0.53 1.28 -0.42 3.16 2.07 0.97 -1.51 116.25 121.28 1m4q h VAL 22 Ca -0.19 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1m4q h VAL 22 Cb 1.53 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1m4q h VAL 22 CO 0.06 0.31 0.27 -0.09 0.02 0.00 0.00 177.57 178.14 1m4q h ARG 23 N 0.10 0.54 -0.62 1.57 2.43 -1.07 -0.66 114.38 116.67 1m4q h ARG 23 Ca 0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1m4q h ARG 23 Cb 0.48 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1m4q h ARG 23 CO 0.02 0.35 0.31 0.93 -1.51 0.00 0.00 179.97 180.07 1m4q h GLU 24 N 0.55 0.89 0.91 0.20 4.39 -1.49 -0.88 114.58 119.15 1m4q h GLU 24 Ca 0.16 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1m4q h GLU 24 Cb -0.04 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1m4q h GLU 24 CO -0.05 0.71 -0.44 1.15 -1.16 0.00 0.00 179.01 179.22 1m4q h THR 25 N 0.85 0.10 -0.86 1.13 2.02 -0.86 -2.04 112.91 113.25 1m4q h THR 25 Ca 0.22 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.51 1m4q h THR 25 Cb 0.10 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 66.53 1m4q h THR 25 CO -0.03 0.00 0.49 -0.37 0.37 0.00 0.00 175.52 175.98 1m4q h VAL 26 N -1.23 0.87 -0.72 3.16 -1.51 -1.09 -1.47 116.25 114.27 1m4q h VAL 26 Ca -0.12 -0.27 0.06 0.00 -1.23 0.00 0.00 66.70 65.13 1m4q h VAL 26 Cb 0.94 0.01 -0.06 0.00 -2.13 0.00 0.00 31.29 30.06 1m4q h VAL 26 CO 0.20 0.14 0.42 0.78 -1.23 0.00 0.00 177.57 177.88 1m4q h ASN 27 N 0.79 0.63 0.14 4.19 4.21 -1.00 0.92 115.58 125.46 1m4q h ASN 27 Ca 0.43 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.96 1m4q h ASN 27 Cb 0.45 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1m4q h ASN 27 CO -0.28 0.41 -0.07 0.58 -1.29 0.00 0.00 177.43 176.79 1m4q h VAL 28 N 0.77 0.94 -0.34 2.81 2.07 -0.54 0.13 116.25 122.10 1m4q h VAL 28 Ca 0.32 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.36 1m4q h VAL 28 Cb 0.18 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1m4q h VAL 28 CO -0.18 0.08 -0.35 0.16 0.02 0.00 0.00 177.57 177.30 1m4q h ILE 29 N -0.34 1.28 0.00 4.57 3.07 -1.17 -1.61 117.51 123.32 1m4q h ILE 29 Ca -0.02 -1.53 -0.06 0.00 1.55 0.00 0.00 64.86 64.80 1m4q h ILE 29 Cb 0.27 1.48 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1m4q h ILE 29 CO 0.03 0.50 -0.31 0.74 -1.05 0.00 0.00 178.15 178.07 1m4q h THR 30 N 0.62 1.00 0.22 0.16 2.02 0.89 0.50 112.91 118.33 1m4q h THR 30 Ca 0.05 -1.14 -0.33 0.00 0.77 0.00 0.00 66.41 65.76 1m4q h THR 30 Cb 0.94 1.66 0.03 0.00 -1.74 0.00 0.00 68.15 69.04 1m4q h THR 30 CO 0.09 0.30 -1.49 0.25 0.37 0.00 0.00 175.52 175.04 1m4q h LEU 31 N 0.00 0.74 0.15 2.58 5.85 -0.61 -3.36 115.31 120.65 1m4q h LEU 31 Ca -0.00 -0.83 -0.20 0.00 0.84 0.00 0.00 57.88 57.69 1m4q h LEU 31 Cb 0.63 -0.24 0.02 0.00 0.37 0.00 0.00 40.66 41.44 1m4q h LEU 31 CO 0.04 1.66 -0.90 1.88 -0.34 0.00 0.00 178.44 180.78 1m4q h TYR 32 N 0.13 0.57 0.00 1.25 0.05 -1.16 -3.48 116.97 114.33 1m4q h TYR 32 Ca -0.25 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.12 1m4q h TYR 32 Cb 2.13 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.85 1m4q h TYR 32 CO 0.11 1.34 0.00 0.36 -1.05 0.00 0.00 178.16 178.93 1m4q n LYS 33 N -4.09 0.00 -0.01 4.88 -0.00 0.17 -4.75 118.16 114.37 1m4q n LYS 33 Ca -0.15 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.17 1m4q n LYS 33 Cb 0.85 -2.29 -0.03 0.00 -0.00 0.00 0.00 35.03 33.56 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 0.00 3.96 -4.89 -5.58 8.00 -1.26 -5.03 116.55 111.75 1m4q n ASP 34 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1m4q n ASP 34 Cb 0.00 0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 42.04 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1m4q s LEU 35 N -3.72 3.72 -0.10 0.64 2.96 -1.26 -3.84 118.68 117.07 1m4q s LEU 35 Ca -0.02 1.06 -0.14 0.00 -0.22 0.00 0.00 54.13 54.81 1m4q s LEU 35 Cb 0.02 -3.98 0.03 0.00 0.50 0.00 0.00 46.19 42.77 1m4q s LEU 35 CO 0.18 -0.50 0.37 -0.75 -1.32 0.00 0.00 176.35 174.33 1m4q s LYS 36 N -4.29 0.53 0.46 1.98 2.20 0.31 -4.68 119.74 116.25 1m4q s LYS 36 Ca 0.50 0.29 -0.22 0.00 -0.36 0.00 0.00 55.97 56.18 1m4q s LYS 36 Cb -0.10 0.25 -0.08 0.00 -1.51 0.00 0.00 37.83 36.39 1m4q s LYS 36 CO 0.38 -0.10 1.09 -1.25 -0.36 0.00 0.00 175.35 175.11 1m4q s PRO 37 N -0.32 3.82 0.01 4.03 0.04 -1.26 -0.01 135.00 141.30 1m4q s PRO 37 Ca -0.05 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.55 1m4q s PRO 37 Cb -0.03 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 1m4q s PRO 37 CO 0.02 -0.45 -0.05 0.54 0.04 0.00 0.00 177.00 177.10 1m4q s VAL 38 N -1.75 0.38 0.23 -0.36 0.11 0.28 -4.83 120.40 114.46 1m4q s VAL 38 Ca 0.65 -0.38 -0.09 0.00 -2.93 0.00 0.00 61.98 59.22 1m4q s VAL 38 Cb -0.22 -0.36 -0.07 0.00 -1.53 0.00 0.00 36.38 34.20 1m4q s VAL 38 CO 0.27 -0.01 0.55 -0.22 -3.33 0.00 0.00 175.10 172.35 1m4q s LEU 39 N -0.43 4.16 0.17 2.54 1.98 -1.26 0.11 118.68 125.95 1m4q s LEU 39 Ca -0.01 0.91 -0.21 0.00 -2.89 0.00 0.00 54.13 51.93 1m4q s LEU 39 Cb -0.04 -3.68 0.05 0.00 0.66 0.00 0.00 46.19 43.19 1m4q s LEU 39 CO -0.00 -0.08 0.57 -0.62 -1.89 0.00 0.00 176.35 174.33 1m4q s ASP 40 N -2.39 -0.43 -0.28 3.68 -1.08 -0.91 -4.88 116.67 110.37 1m4q s ASP 40 Ca 0.47 -0.19 -0.17 0.00 -0.52 0.00 0.00 52.55 52.14 1m4q s ASP 40 Cb -0.11 0.59 0.10 0.00 -1.46 0.00 0.00 42.92 42.04 1m4q s ASP 40 CO 0.22 -1.01 0.80 -0.44 0.52 0.00 0.00 175.17 175.26 1m4q s SER 41 N -2.80 -0.77 0.11 -0.34 0.01 -1.26 -0.84 113.70 107.81 1m4q s SER 41 Ca 0.04 1.26 -0.01 0.00 1.31 0.00 0.00 55.95 58.55 1m4q s SER 41 Cb -0.01 1.31 -0.04 0.00 0.21 0.00 0.00 66.02 67.49 1m4q s SER 41 CO -0.09 -0.20 0.02 -0.47 0.41 0.00 0.00 173.24 172.91 1m4q s TYR 42 N 1.37 0.78 0.26 2.43 5.04 -1.18 -4.80 117.35 121.25 1m4q s TYR 42 Ca -0.08 -1.16 -0.19 0.00 -2.44 0.00 0.00 57.07 53.20 1m4q s TYR 42 Cb -0.05 -0.47 -0.09 0.00 0.35 0.00 0.00 41.96 41.71 1m4q s TYR 42 CO -0.16 -0.44 0.74 0.14 -1.34 0.00 0.00 175.55 174.49 1m4q s VAL 43 N -3.97 4.58 0.09 3.14 -7.23 -1.26 -0.40 120.40 115.35 1m4q s VAL 43 Ca 0.18 1.22 0.00 0.00 -1.81 0.00 0.00 61.98 61.57 1m4q s VAL 43 Cb 0.07 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.22 1m4q s VAL 43 CO -0.02 0.09 0.00 0.49 -0.31 0.00 0.00 175.10 175.35 1m4q n PHE 44 N 0.40 -1.43 -1.53 2.82 3.72 -1.06 -4.73 117.46 115.66 1m4q n PHE 44 Ca -0.00 0.22 -0.13 0.00 -0.05 0.00 0.00 57.45 57.49 1m4q n PHE 44 Cb 0.52 0.81 -0.10 0.00 -0.94 0.00 0.00 39.48 39.77 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 -2.76 1.12 -1.90 4.37 3.02 -1.26 -3.01 115.26 114.84 1m4q n ASN 45 Ca 0.00 -1.90 -0.12 0.00 -0.03 0.00 0.00 54.58 52.53 1m4q n ASN 45 Cb 0.00 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 37.58 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1m4q n ASP 46 N 17.62 -3.57 -0.16 6.41 9.92 -1.26 -3.47 116.55 142.04 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 0.44 -3.19 0.00 0.00 -0.64 0.00 0.00 41.12 37.72 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 0.65 3.11 0.44 0.00 -1.16 -5.13 105.19 102.57 1m4q n GLY 47 Ca -0.13 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.23 -0.78 0.52 1.61 0.01 -1.23 -4.85 113.70 107.74 1m4q s SER 48 Ca 0.00 0.72 -0.20 0.00 1.31 0.00 0.00 55.95 57.78 1m4q s SER 48 Cb 0.00 1.79 -0.10 0.00 0.21 0.00 0.00 66.02 67.93 1m4q s SER 48 CO 0.00 -0.27 0.60 -1.54 0.41 0.00 0.00 173.24 172.44 1m4q n SER 49 N 5.41 -0.66 -3.84 2.44 3.41 -1.25 -2.55 113.62 116.57 1m4q n SER 49 Ca -0.03 0.82 -0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1m4q n SER 49 Cb 0.51 -1.19 -0.14 0.00 -0.26 0.00 0.00 64.21 63.13 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 -1.98 0.07 -0.06 4.33 3.00 0.46 -4.86 118.95 119.92 1m4q s ARG 50 Ca 0.67 0.11 -0.30 0.00 -1.00 0.00 0.00 55.73 55.21 1m4q s ARG 50 Cb -0.49 0.01 -0.05 0.00 0.00 0.00 0.00 34.95 34.42 1m4q s ARG 50 CO 0.55 -0.02 1.55 -1.21 0.00 0.00 0.00 175.30 176.17 1m4q s GLU 51 N 0.13 4.20 -0.21 5.12 2.02 -1.26 -3.10 118.70 125.60 1m4q s GLU 51 Ca -0.01 2.07 -0.04 0.00 0.02 0.00 0.00 54.97 57.01 1m4q s GLU 51 Cb -0.01 -3.87 0.09 0.00 0.10 0.00 0.00 34.13 30.43 1m4q s GLU 51 CO -0.00 -0.78 0.17 -1.17 0.02 0.00 0.00 175.26 173.50 1m4q s LEU 52 N 3.65 0.10 0.56 1.80 0.20 -0.02 -5.00 118.68 119.96 1m4q s LEU 52 Ca 0.69 -0.52 -0.14 0.00 0.69 0.00 0.00 54.13 54.85 1m4q s LEU 52 Cb -0.31 0.11 -0.06 0.00 -0.43 0.00 0.00 46.19 45.49 1m4q s LEU 52 CO 0.27 -0.35 1.00 -0.32 -0.29 0.00 0.00 176.35 176.65 1m4q s MET 53 N 2.24 3.79 0.17 1.98 -2.45 -1.26 -2.14 119.30 121.63 1m4q s MET 53 Ca 0.06 0.86 -0.10 0.00 -1.25 0.00 0.00 55.69 55.25 1m4q s MET 53 Cb -0.16 -2.12 -0.00 0.00 1.25 0.00 0.00 34.83 33.80 1m4q s MET 53 CO -0.16 -0.40 0.32 0.54 1.05 0.00 0.00 175.02 176.38 1m4q s ASN 54 N -3.56 -0.01 0.06 1.11 4.22 0.12 -1.24 114.94 115.65 1m4q s ASN 54 Ca 0.57 -0.81 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 1m4q s ASN 54 Cb -0.10 0.46 -0.04 0.00 1.28 0.00 0.00 41.25 42.85 1m4q s ASN 54 CO 0.41 -0.92 0.20 -0.76 -2.04 0.00 0.00 177.10 174.00 1m4q s LEU 55 N -2.95 4.33 0.17 3.54 2.01 0.02 0.10 118.68 125.91 1m4q s LEU 55 Ca 0.16 0.26 -0.09 0.00 0.01 0.00 0.00 54.13 54.46 1m4q s LEU 55 Cb 0.03 -2.94 -0.01 0.00 0.01 0.00 0.00 46.19 43.28 1m4q s LEU 55 CO -0.00 0.17 0.29 0.28 1.01 0.00 0.00 176.35 178.10 1m4q s THR 56 N -1.51 0.06 0.00 5.49 -1.32 0.98 -2.82 115.64 116.52 1m4q s THR 56 Ca 0.35 -1.40 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 1m4q s THR 56 Cb -0.13 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.98 1m4q s THR 56 CO 0.28 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1m4q n GLY 57 N -0.23 2.67 3.70 6.08 0.00 -1.22 0.11 105.19 116.31 1m4q n GLY 57 Ca -0.07 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.62 5.17 -0.03 2.61 -4.23 -1.25 -2.53 115.64 112.77 1m4q s THR 58 Ca 0.00 0.94 -0.14 0.00 -1.18 0.00 0.00 61.69 61.30 1m4q s THR 58 Cb 0.00 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 1m4q s THR 58 CO 0.00 0.29 0.39 -0.63 -0.54 0.00 0.00 174.62 174.13 1m4q s ILE 59 N 0.91 5.09 -0.15 2.99 1.01 0.28 -4.33 121.20 127.00 1m4q s ILE 59 Ca 0.25 0.79 -0.29 0.00 0.00 0.00 0.00 60.65 61.40 1m4q s ILE 59 Cb -0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1m4q s ILE 59 CO 0.10 0.55 1.76 -2.16 0.00 0.00 0.00 174.94 175.19 1m4q s PRO 60 N -0.84 3.84 -0.33 2.79 0.04 -1.26 0.23 135.00 139.48 1m4q s PRO 60 Ca 0.23 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.20 1m4q s PRO 60 Cb -0.16 -4.09 0.06 0.00 0.04 0.00 0.00 34.50 30.35 1m4q s PRO 60 CO 0.12 -1.26 0.08 0.08 0.04 0.00 0.00 177.00 176.06 1m4q s VAL 61 N 5.26 3.36 0.05 -0.36 1.01 0.22 -4.92 120.40 125.03 1m4q s VAL 61 Ca 0.78 -1.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 1m4q s VAL 61 Cb -0.30 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 1m4q s VAL 61 CO 0.32 -0.23 1.28 -2.16 0.00 0.00 0.00 175.10 174.31 1m4q s PRO 62 N 1.30 4.37 0.00 2.72 0.04 -1.26 -0.30 135.00 141.87 1m4q s PRO 62 Ca -0.02 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1m4q s PRO 62 Cb -0.20 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1m4q s PRO 62 CO -0.00 -0.38 0.00 0.98 0.04 0.00 0.00 177.00 177.64 1m4q n TYR 63 N 4.37 -0.73 0.09 0.56 9.36 0.19 -4.45 117.16 126.55 1m4q n TYR 63 Ca 0.11 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.51 1m4q n TYR 63 Cb 0.45 0.00 0.74 0.00 -0.63 0.00 0.00 39.34 39.90 1m4q n TYR 63 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1m4q h ARG 64 N 0.00 0.00 0.00 2.98 1.12 -1.95 -3.31 114.38 113.22 1m4q h ARG 64 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1m4q h ARG 64 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 1m4q h ARG 64 CO 0.00 0.00 -0.05 0.41 -3.11 0.00 0.00 179.97 177.22 1m4q n GLY 65 N -1.54 0.76 0.00 2.80 0.00 -1.26 -5.15 105.19 100.81 1m4q n GLY 65 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -3.17 1.61 3.02 -1.25 -5.16 115.26 110.31 1m4q n ASN 66 Ca -0.05 -0.43 0.03 0.00 -0.03 0.00 0.00 54.58 54.09 1m4q n ASN 66 Cb 0.48 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.73 -0.96 0.40 3.41 2.01 -1.26 0.56 115.64 118.07 1m4q s THR 67 Ca 0.00 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1m4q s THR 67 Cb 0.00 -0.98 0.07 0.00 0.01 0.00 0.00 72.50 71.60 1m4q s THR 67 CO 0.00 -0.01 0.55 -1.22 -0.69 0.00 0.00 174.62 173.24 1m4q n TYR 68 N 5.42 -2.75 -3.98 4.92 4.02 0.59 -4.76 117.16 120.62 1m4q n TYR 68 Ca -0.01 -1.25 -0.30 0.00 -0.01 0.00 0.00 57.90 56.33 1m4q n TYR 68 Cb 0.51 -0.39 -0.14 0.00 -0.02 0.00 0.00 39.34 39.30 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 -3.36 4.50 -0.11 7.72 0.01 -1.26 0.71 114.94 123.15 1m4q s ASN 69 Ca 0.39 -2.65 -0.30 0.00 -0.71 0.00 0.00 52.86 49.60 1m4q s ASN 69 Cb -0.03 -1.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.98 1m4q s ASN 69 CO 0.25 -0.29 1.28 -0.51 -1.51 0.00 0.00 177.10 176.32 1m4q s ILE 70 N 0.22 4.17 -0.03 0.60 1.10 0.14 -4.57 121.20 122.83 1m4q s ILE 70 Ca 0.14 1.46 -0.30 0.00 -0.51 0.00 0.00 60.65 61.44 1m4q s ILE 70 Cb -0.23 -3.94 -0.03 0.00 0.15 0.00 0.00 42.46 38.41 1m4q s ILE 70 CO -0.03 -0.08 0.99 -2.16 -2.11 0.00 0.00 174.94 171.55 1m4q s PRO 71 N 3.02 4.52 0.11 3.50 0.04 -1.26 0.99 135.00 145.91 1m4q s PRO 71 Ca 0.57 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1m4q s PRO 71 Cb -0.24 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.83 1m4q s PRO 71 CO 0.19 -0.13 0.28 0.42 0.04 0.00 0.00 177.00 177.80 1m4q s ILE 72 N 1.30 0.11 -0.25 0.56 1.01 -1.05 -1.99 121.20 120.88 1m4q s ILE 72 Ca 0.51 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 1m4q s ILE 72 Cb -0.20 -1.32 0.07 0.00 0.01 0.00 0.00 42.46 41.01 1m4q s ILE 72 CO 0.25 -0.49 0.64 0.00 0.00 0.00 0.00 174.94 175.34 1m4q s LEU 74 N 1.12 1.98 0.05 0.00 2.34 -1.13 -2.79 118.68 120.25 1m4q s LEU 74 Ca -0.06 -0.26 -0.28 0.00 0.06 0.00 0.00 54.13 53.58 1m4q s LEU 74 Cb -0.05 0.23 -0.05 0.00 -0.56 0.00 0.00 46.19 45.76 1m4q s LEU 74 CO -0.11 -0.23 0.91 0.26 -1.06 0.00 0.00 176.35 176.12 1m4q s TRP 75 N -0.99 3.73 -0.77 3.48 0.52 -1.16 -0.80 118.94 122.95 1m4q s TRP 75 Ca -0.11 1.66 -0.16 0.00 0.02 0.00 0.00 56.10 57.51 1m4q s TRP 75 Cb -0.07 -3.01 0.17 0.00 -1.15 0.00 0.00 33.47 29.42 1m4q s TRP 75 CO -0.00 0.14 0.78 -1.17 0.02 0.00 0.00 176.95 176.72 1m4q s LEU 76 N 0.39 6.18 0.99 2.99 2.96 -0.37 -4.59 118.68 127.23 1m4q s LEU 76 Ca 0.46 -2.26 -0.12 0.00 -0.22 0.00 0.00 54.13 51.98 1m4q s LEU 76 Cb -0.22 -2.26 0.18 0.00 0.50 0.00 0.00 46.19 44.40 1m4q s LEU 76 CO 0.27 -0.78 1.09 -0.76 -1.32 0.00 0.00 176.35 174.85 1m4q s LEU 77 N 1.19 1.69 0.05 -0.68 1.43 -1.26 -4.53 118.68 116.57 1m4q s LEU 77 Ca 0.17 1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 54.24 1m4q s LEU 77 Cb -0.14 -3.48 -0.18 0.00 0.03 0.00 0.00 46.19 42.42 1m4q s LEU 77 CO -0.05 -3.10 1.48 -2.24 0.23 0.00 0.00 176.35 172.68 1m4q h ASP 78 N -1.87 -0.65 0.00 2.29 2.03 -1.97 -3.44 116.42 112.81 1m4q h ASP 78 Ca -0.54 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 1m4q h ASP 78 Cb 1.32 0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1m4q h ASP 78 CO 0.57 -0.39 0.00 1.07 -1.03 0.00 0.00 179.24 179.46 1m4q n THR 79 N -5.38 0.00 -4.28 1.15 5.66 -1.26 -4.60 114.28 105.57 1m4q n THR 79 Ca -0.12 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.62 1m4q n THR 79 Cb 0.33 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.94 1m4q n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1m4q s TYR 80 N 0.00 1.45 -0.01 1.09 2.02 -1.26 -3.16 117.35 117.48 1m4q s TYR 80 Ca 0.00 -0.62 0.29 0.00 -0.37 0.00 0.00 57.07 56.37 1m4q s TYR 80 Cb 0.00 -1.13 1.05 0.00 -0.40 0.00 0.00 41.96 41.47 1m4q s TYR 80 CO 0.00 -0.38 1.87 -1.35 -1.57 0.00 0.00 175.55 174.12 1m4q h PRO 81 N 7.49 0.00 0.00 -1.71 0.11 -2.01 -3.41 132.00 132.47 1m4q h PRO 81 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1m4q h PRO 81 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1m4q h PRO 81 CO 0.45 0.05 0.00 0.98 -0.21 0.00 0.00 178.00 179.27 1m4q n TYR 82 N -3.15 0.00 -3.95 0.65 9.36 -1.19 -5.15 117.16 113.73 1m4q n TYR 82 Ca 0.01 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.14 1m4q n TYR 82 Cb 0.38 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.02 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 -1.07 0.05 -0.27 2.98 -0.87 -1.26 -4.65 114.94 109.85 1m4q s ASN 83 Ca 0.00 -0.85 -0.28 0.00 -1.57 0.00 0.00 52.86 50.17 1m4q s ASN 83 Cb 0.00 0.42 -0.05 0.00 -0.02 0.00 0.00 41.25 41.60 1m4q s ASN 83 CO 0.00 -0.87 2.20 -2.16 -2.57 0.00 0.00 177.10 173.70 1m4q s PRO 84 N -3.96 3.02 0.11 -0.60 0.04 -1.26 -4.72 135.00 127.63 1m4q s PRO 84 Ca 0.16 1.88 0.12 0.00 0.04 0.00 0.00 61.00 63.20 1m4q s PRO 84 Cb 0.04 -4.38 -0.14 0.00 0.04 0.00 0.00 34.50 30.05 1m4q s PRO 84 CO -0.01 -2.24 1.10 -1.00 0.04 0.00 0.00 177.00 174.89 1m4q h PRO 85 N 15.42 0.00 -6.19 0.56 0.13 -1.87 -3.45 132.00 136.59 1m4q h PRO 85 Ca -0.38 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.18 1m4q h PRO 85 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1m4q h PRO 85 CO 0.99 0.64 1.30 0.42 -0.23 0.00 0.00 178.00 181.12 1m4q s ILE 86 N -2.78 3.31 -0.15 -3.56 1.09 -1.26 -4.96 121.20 112.89 1m4q s ILE 86 Ca -0.00 0.34 -0.06 0.00 -1.10 0.00 0.00 60.65 59.83 1m4q s ILE 86 Cb 0.09 -3.35 0.07 0.00 -1.06 0.00 0.00 42.46 38.20 1m4q s ILE 86 CO 0.80 -0.18 0.31 0.00 -0.10 0.00 0.00 174.94 175.77 1m4q s PHE 88 N 2.29 0.16 0.03 0.00 -0.12 -1.12 -1.51 117.98 117.70 1m4q s PHE 88 Ca -0.01 -0.49 -0.10 0.00 -0.05 0.00 0.00 56.93 56.28 1m4q s PHE 88 Cb -0.12 -0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.13 1m4q s PHE 88 CO -0.10 -0.45 0.35 0.54 -0.05 0.00 0.00 175.22 175.52 1m4q s VAL 89 N -3.10 5.15 -0.50 -2.49 0.11 0.95 -2.03 120.40 118.49 1m4q s VAL 89 Ca -0.01 0.46 -0.16 0.00 -2.93 0.00 0.00 61.98 59.34 1m4q s VAL 89 Cb 0.02 -3.63 0.09 0.00 -1.53 0.00 0.00 36.38 31.33 1m4q s VAL 89 CO -0.07 0.40 0.47 -0.54 -3.33 0.00 0.00 175.10 172.03 1m4q s LYS 90 N -1.62 3.00 -0.18 1.54 1.02 -0.84 -4.65 119.74 118.02 1m4q s LYS 90 Ca 0.28 -1.39 -0.22 0.00 0.02 0.00 0.00 55.97 54.67 1m4q s LYS 90 Cb -0.14 -4.18 -0.03 0.00 -0.52 0.00 0.00 37.83 32.96 1m4q s LYS 90 CO 0.15 -1.17 0.66 -1.25 -0.92 0.00 0.00 175.35 172.83 1m4q s PRO 91 N 1.82 4.25 0.89 -1.68 0.04 -1.26 -4.58 135.00 134.46 1m4q s PRO 91 Ca 0.06 0.69 -0.13 0.00 0.04 0.00 0.00 61.00 61.66 1m4q s PRO 91 Cb -0.25 -3.56 0.13 0.00 0.04 0.00 0.00 34.50 30.85 1m4q s PRO 91 CO 0.06 -0.21 1.17 0.95 0.04 0.00 0.00 177.00 179.01 1m4q s THR 92 N 1.80 1.99 0.23 1.26 -4.23 -1.26 -4.86 115.64 110.56 1m4q s THR 92 Ca 0.31 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1m4q s THR 92 Cb -0.16 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 71.01 1m4q s THR 92 CO 0.11 0.00 1.76 0.28 -0.54 0.00 0.00 174.62 176.23 1m4q h SER 93 N -1.38 0.37 -0.23 3.99 0.02 -2.05 0.83 113.55 115.10 1m4q h SER 93 Ca -0.48 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1m4q h SER 93 Cb 1.32 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1m4q h SER 93 CO 0.61 0.20 0.00 -1.20 -1.14 0.00 0.00 176.83 175.29 1m4q n SER 94 N -4.93 1.71 -4.92 3.07 7.64 -1.26 -4.91 113.62 110.02 1m4q n SER 94 Ca 0.11 -1.80 -0.26 0.00 1.01 0.00 0.00 58.87 57.94 1m4q n SER 94 Cb 0.31 -0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.71 3.48 -0.13 1.43 0.00 0.28 -1.77 119.30 120.89 1m4q s MET 95 Ca 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 55.69 55.87 1m4q s MET 95 Cb 0.16 -2.51 0.05 0.00 0.00 0.00 0.00 34.83 32.52 1m4q s MET 95 CO 0.23 -0.06 0.06 0.99 0.00 0.00 0.00 175.02 176.23 1m4q s THR 96 N -2.55 0.12 0.27 10.11 2.01 -1.03 -4.73 115.64 119.84 1m4q s THR 96 Ca 0.44 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 1m4q s THR 96 Cb -0.10 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.76 1m4q s THR 96 CO 0.41 -0.06 1.20 -0.63 -0.69 0.00 0.00 174.62 174.84 1m4q s ILE 97 N 2.06 3.26 -0.20 1.82 1.01 -1.26 -0.90 121.20 126.98 1m4q s ILE 97 Ca 0.03 1.19 -0.05 0.00 0.00 0.00 0.00 60.65 61.82 1m4q s ILE 97 Cb -0.15 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1m4q s ILE 97 CO -0.07 0.26 0.01 -0.75 0.00 0.00 0.00 174.94 174.38 1m4q s LYS 98 N -1.17 3.62 0.30 2.79 2.36 0.32 -4.87 119.74 123.09 1m4q s LYS 98 Ca 0.49 -0.52 -0.29 0.00 -2.55 0.00 0.00 55.97 53.10 1m4q s LYS 98 Cb -0.35 -3.10 -0.10 0.00 -1.05 0.00 0.00 37.83 33.24 1m4q s LYS 98 CO 0.43 -0.00 1.21 0.95 1.55 0.00 0.00 175.35 179.48 1m4q s THR 99 N 1.05 3.11 -0.01 3.43 -4.23 -1.26 -4.67 115.64 113.06 1m4q s THR 99 Ca 0.02 1.11 -0.29 0.00 -1.18 0.00 0.00 61.69 61.35 1m4q s THR 99 Cb -0.14 -3.71 0.11 0.00 1.34 0.00 0.00 72.50 70.10 1m4q s THR 99 CO 0.02 0.26 1.28 -0.83 -0.54 0.00 0.00 174.62 174.81 1m4q s GLY 100 N -0.64 -0.24 0.56 3.99 0.00 0.10 -4.93 107.32 106.16 1m4q s GLY 100 Ca 0.47 0.31 0.27 0.00 0.00 0.00 0.00 44.72 45.78 1m4q s GLY 100 CO 0.47 3.12 1.99 0.07 0.00 0.00 0.00 173.10 178.74 1m4q h LYS 101 N 2.00 0.00 -0.26 2.90 2.10 -1.99 0.29 116.57 121.61 1m4q h LYS 101 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1m4q h LYS 101 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1m4q h LYS 101 CO 0.30 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.47 1m4q n HIS 102 N -4.03 0.32 -3.68 0.07 8.25 -1.26 -4.22 115.22 110.67 1m4q n HIS 102 Ca 0.07 -0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 1m4q n HIS 102 Cb 0.55 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.68 -0.00 -0.09 1.59 1.01 0.10 -3.36 120.40 117.97 1m4q s VAL 103 Ca 0.35 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1m4q s VAL 103 Cb 0.21 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1m4q s VAL 103 CO 0.31 0.00 -0.07 0.44 0.00 0.00 0.00 175.10 175.78 1m4q h ASP 104 N 5.56 0.00 0.00 3.32 3.32 -1.71 0.32 116.42 127.22 1m4q h ASP 104 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1m4q h ASP 104 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1m4q h ASP 104 CO 0.16 0.46 0.00 0.00 -1.72 0.00 0.00 179.24 178.15 1m4q n ALA 105 N -2.95 0.00 0.17 3.45 0.00 -1.26 -4.64 120.51 115.28 1m4q n ALA 105 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1m4q n ALA 105 Cb 0.11 0.00 0.25 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 3.10 0.00 0.00 4.13 -1.26 -4.89 115.26 116.34 1m4q n ASN 106 Ca 0.00 -2.03 0.00 0.00 1.68 0.00 0.00 54.58 54.23 1m4q n ASN 106 Cb 0.00 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m4q n GLY 107 N 1.35 0.92 3.74 7.41 0.00 -1.26 -4.86 105.19 112.49 1m4q n GLY 107 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.66 4.37 0.02 1.61 1.02 -1.26 -0.03 119.74 124.81 1m4q s LYS 108 Ca 0.00 2.08 -0.29 0.00 0.02 0.00 0.00 55.97 57.78 1m4q s LYS 108 Cb 0.00 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1m4q s LYS 108 CO 0.00 -0.28 0.93 0.42 -0.92 0.00 0.00 175.35 175.50 1m4q s ILE 109 N 0.15 4.79 0.00 2.17 1.01 -0.57 -3.12 121.20 125.62 1m4q s ILE 109 Ca 0.57 1.97 0.00 0.00 0.00 0.00 0.00 60.65 63.19 1m4q s ILE 109 Cb -0.37 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1m4q s ILE 109 CO 0.38 0.22 0.00 0.00 0.00 0.00 0.00 174.94 175.54 1m4q n TYR 110 N 3.55 -1.41 -1.03 3.97 9.36 -1.21 -4.91 117.16 125.47 1m4q n TYR 110 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1m4q n TYR 110 Cb 0.51 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 1m4q n TYR 110 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1m4q n LEU 111 N 0.00 -1.16 -0.13 2.98 4.77 -1.26 -4.74 117.00 117.45 1m4q n LEU 111 Ca 0.00 1.88 -0.10 0.00 -0.03 0.00 0.00 56.01 57.76 1m4q n LEU 111 Cb 0.00 -1.70 -0.02 0.00 -2.33 0.00 0.00 43.42 39.37 1m4q n LEU 111 CO 0.00 -0.46 0.81 1.55 -1.33 0.00 0.00 177.39 177.96 1m4q h PRO 112 N 0.20 0.64 0.00 3.23 0.13 -1.97 -3.46 132.00 130.77 1m4q h PRO 112 Ca 0.00 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1m4q h PRO 112 Cb 0.57 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1m4q h PRO 112 CO 0.00 0.72 0.00 0.66 -0.23 0.00 0.00 178.00 179.15 1m4q n TYR 113 N -4.52 0.00 -0.04 1.56 4.01 -1.26 -3.12 117.16 113.79 1m4q n TYR 113 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 1m4q n TYR 113 Cb 0.25 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.20 1m4q n TYR 113 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1m4q h LEU 114 N 0.00 0.57 -1.09 7.72 6.46 -1.97 -2.50 115.31 124.51 1m4q h LEU 114 Ca 0.00 -0.59 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1m4q h LEU 114 Cb 0.00 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1m4q h LEU 114 CO 0.00 1.07 0.00 1.57 -0.62 0.00 0.00 178.44 180.46 1m4q n HIS 115 N -4.31 0.68 -0.03 1.25 -0.00 -1.18 -3.05 115.22 108.57 1m4q n HIS 115 Ca -0.07 0.33 -0.02 0.00 0.46 0.00 0.00 57.72 58.41 1m4q n HIS 115 Cb 0.53 -1.02 -0.01 0.00 -0.12 0.00 0.00 29.99 29.37 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 -2.17 0.18 0.00 1.57 2.13 -1.15 -4.91 120.64 116.29 1m4q n GLU 116 Ca -0.00 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1m4q n GLU 116 Cb 0.09 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 30.82 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 -3.18 0.00 -3.93 4.31 -0.00 -0.95 -4.92 117.44 108.77 1m4q n TRP 117 Ca -0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.06 1m4q n TRP 117 Cb 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.48 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 0.00 -0.69 0.03 5.87 2.85 -1.17 -4.90 118.16 120.15 1m4q n LYS 118 Ca 0.00 0.23 -0.16 0.00 -1.05 0.00 0.00 58.31 57.33 1m4q n LYS 118 Cb 0.00 -3.20 -0.05 0.00 -0.65 0.00 0.00 35.03 31.13 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 -2.33 0.86 0.33 5.58 2.76 -1.91 -3.47 115.15 116.97 1m4q h HIS 119 Ca -0.69 -0.42 -0.02 0.00 -2.20 0.00 0.00 60.37 57.04 1m4q h HIS 119 Cb 1.39 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.23 1m4q h HIS 119 CO 0.36 1.23 -0.16 -1.00 -1.30 0.00 0.00 177.93 177.07 1m4q h PRO 120 N 0.39 -0.42 0.00 5.26 0.13 -2.02 -3.50 132.00 131.84 1m4q h PRO 120 Ca -0.07 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1m4q h PRO 120 Cb 1.49 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.71 1m4q h PRO 120 CO 0.16 -0.28 0.00 0.94 -0.23 0.00 0.00 178.00 178.59 1m4q n GLN 121 N -4.27 0.00 -2.90 0.86 0.00 -1.26 -4.89 117.38 104.91 1m4q n GLN 121 Ca -0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.55 1m4q n GLN 121 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.35 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 7.47 0.52 1.69 0.15 -1.26 -5.04 113.70 117.23 1m4q s SER 122 Ca 0.00 1.73 0.02 0.00 0.70 0.00 0.00 55.95 58.41 1m4q s SER 122 Cb 0.00 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1m4q s SER 122 CO 0.00 0.18 0.17 0.47 1.20 0.00 0.00 173.24 175.26 1m4q n ASP 123 N 1.65 3.12 -0.31 5.45 8.00 -1.26 -4.87 116.55 128.33 1m4q n ASP 123 Ca -0.04 -3.07 0.15 0.00 0.71 0.00 0.00 54.79 52.54 1m4q n ASP 123 Cb 0.48 0.18 0.31 0.00 -0.02 0.00 0.00 41.12 42.08 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1m4q h LEU 124 N 0.00 -0.13 -0.14 0.64 7.12 -1.97 0.54 115.31 121.37 1m4q h LEU 124 Ca -0.39 0.23 -0.05 0.00 0.13 0.00 0.00 57.88 57.80 1m4q h LEU 124 Cb 1.27 0.34 -0.00 0.00 -0.53 0.00 0.00 40.66 41.73 1m4q h LEU 124 CO 0.63 -0.25 -0.11 -0.07 -0.13 0.00 0.00 178.44 178.52 1m4q h LEU 125 N 0.12 0.33 -1.67 2.25 4.07 -1.95 -3.10 115.31 115.37 1m4q h LEU 125 Ca 0.59 -0.45 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1m4q h LEU 125 Cb 1.25 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 1m4q h LEU 125 CO -0.75 0.72 0.03 1.23 -1.08 0.00 0.00 178.44 178.58 1m4q h GLY 126 N -0.05 0.25 0.36 0.83 0.00 -0.99 -1.92 103.07 101.55 1m4q h GLY 126 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1m4q h GLY 126 CO 0.03 0.11 -0.22 -2.00 0.00 0.00 0.00 176.54 174.46 1m4q h LEU 127 N 0.24 -0.56 -1.86 3.11 6.46 -0.02 -2.14 115.31 120.54 1m4q h LEU 127 Ca 0.06 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.92 1m4q h LEU 127 Cb 0.12 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1m4q h LEU 127 CO -0.00 -0.34 0.23 0.40 -0.62 0.00 0.00 178.44 178.11 1m4q h ILE 128 N -0.54 0.92 -0.90 4.05 5.03 -1.54 -1.48 117.51 123.05 1m4q h ILE 128 Ca -0.05 -0.06 0.06 0.00 -0.12 0.00 0.00 64.86 64.70 1m4q h ILE 128 Cb 0.43 0.74 -0.06 0.00 -3.03 0.00 0.00 36.82 34.90 1m4q h ILE 128 CO 0.05 0.03 0.56 -0.61 -0.68 0.00 0.00 178.15 177.50 1m4q h GLN 129 N 0.17 1.00 -0.04 2.37 4.15 -1.03 0.12 115.11 121.84 1m4q h GLN 129 Ca 0.15 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1m4q h GLN 129 Cb 0.39 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1m4q h GLN 129 CO -0.02 0.66 0.01 0.28 -1.93 0.00 0.00 178.83 177.83 1m4q h VAL 130 N 1.03 1.16 -0.68 2.39 2.07 -0.61 0.12 116.25 121.74 1m4q h VAL 130 Ca 0.39 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1m4q h VAL 130 Cb 0.16 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1m4q h VAL 130 CO -0.17 0.13 0.45 -0.03 0.02 0.00 0.00 177.57 177.97 1m4q h MET 131 N -0.12 0.84 -0.33 1.57 1.85 -1.38 0.18 114.93 117.55 1m4q h MET 131 Ca 0.01 -0.05 -0.14 0.00 -0.61 0.00 0.00 59.70 58.92 1m4q h MET 131 Cb 0.20 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 1m4q h MET 131 CO -0.00 0.56 -0.35 0.82 -0.40 0.00 0.00 176.91 177.53 1m4q h ILE 132 N 0.87 1.28 0.15 1.77 2.04 -0.44 0.65 117.51 123.83 1m4q h ILE 132 Ca 0.26 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 1m4q h ILE 132 Cb -0.02 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1m4q h ILE 132 CO -0.07 0.49 -0.07 0.58 0.00 0.00 0.00 178.15 179.08 1m4q h VAL 133 N 0.62 0.98 0.17 1.67 2.07 0.37 0.42 116.25 122.55 1m4q h VAL 133 Ca 0.06 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1m4q h VAL 133 Cb 0.88 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1m4q h VAL 133 CO 0.08 0.14 -0.08 0.58 0.02 0.00 0.00 177.57 178.31 1m4q h VAL 134 N -0.50 0.84 0.00 2.57 2.07 -1.00 -1.70 116.25 118.54 1m4q h VAL 134 Ca -0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1m4q h VAL 134 Cb 0.39 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1m4q h VAL 134 CO 0.03 0.01 0.00 0.49 0.02 0.00 0.00 177.57 178.12 1m4q n PHE 135 N -5.18 0.00 0.13 1.57 3.01 0.21 -2.25 117.46 114.95 1m4q n PHE 135 Ca -0.09 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.36 1m4q n PHE 135 Cb 0.12 -0.37 0.22 0.00 -0.01 0.00 0.00 39.48 39.44 1m4q n PHE 135 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1m4q h GLY 136 N 2.13 0.12 0.00 1.37 0.00 0.08 -3.36 103.07 103.41 1m4q h GLY 136 Ca 0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 47.33 46.95 1m4q h GLY 136 CO 0.00 0.11 -1.88 1.34 0.00 0.00 0.00 176.54 176.11 1m4q n ASP 137 N -3.95 1.91 -4.46 0.19 2.03 -1.10 -4.25 116.55 106.93 1m4q n ASP 137 Ca -0.02 0.07 -0.43 0.00 0.52 0.00 0.00 54.79 54.93 1m4q n ASP 137 Cb 0.53 -0.36 -0.05 0.00 -0.72 0.00 0.00 41.12 40.52 1m4q n ASP 137 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1m4q s GLU 138 N -2.30 3.17 -0.26 -0.67 -1.05 -0.96 -5.01 118.70 111.63 1m4q s GLU 138 Ca -0.21 -0.74 -0.28 0.00 -0.15 0.00 0.00 54.97 53.59 1m4q s GLU 138 Cb 0.07 -4.13 -0.04 0.00 -0.44 0.00 0.00 34.13 29.59 1m4q s GLU 138 CO 0.31 -1.47 2.12 -1.25 0.95 0.00 0.00 175.26 175.92 1m4q s PRO 139 N 3.35 3.13 0.33 -4.83 0.04 -1.26 -4.36 135.00 131.40 1m4q s PRO 139 Ca 0.21 1.84 0.17 0.00 0.04 0.00 0.00 61.00 63.27 1m4q s PRO 139 Cb -0.17 -4.34 0.17 0.00 0.04 0.00 0.00 34.50 30.20 1m4q s PRO 139 CO 0.13 -2.10 1.50 -1.00 0.04 0.00 0.00 177.00 175.58 1m4q h PRO 140 N 14.71 0.00 -1.25 0.56 0.13 -1.87 -3.43 132.00 140.85 1m4q h PRO 140 Ca -0.38 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.59 1m4q h PRO 140 Cb 1.22 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 1m4q h PRO 140 CO 0.99 0.36 -0.52 0.54 -0.23 0.00 0.00 178.00 179.13 1m4q s VAL 141 N -3.05 -0.81 -0.12 1.56 0.11 -1.26 0.12 120.40 116.95 1m4q s VAL 141 Ca 0.05 -0.44 -0.23 0.00 -2.93 0.00 0.00 61.98 58.43 1m4q s VAL 141 Cb 0.07 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.70 1m4q s VAL 141 CO 0.72 -0.17 0.68 0.72 -3.33 0.00 0.00 175.10 173.72 1m4q s PHE 142 N 1.56 3.50 0.44 1.54 -0.71 -0.08 -4.65 117.98 119.59 1m4q s PHE 142 Ca 0.19 1.14 -0.02 0.00 -1.04 0.00 0.00 56.93 57.19 1m4q s PHE 142 Cb -0.06 -2.81 -0.03 0.00 -1.21 0.00 0.00 43.02 38.92 1m4q s PHE 142 CO -0.06 -0.01 0.69 0.45 -1.34 0.00 0.00 175.22 174.95 1m4q s SER 143 N 0.92 6.15 0.35 1.98 0.15 -1.26 -2.45 113.70 119.54 1m4q s SER 143 Ca 0.34 0.63 -0.26 0.00 0.70 0.00 0.00 55.95 57.37 1m4q s SER 143 Cb -0.17 -2.00 -0.09 0.00 -1.71 0.00 0.00 66.02 62.04 1m4q s SER 143 CO 0.15 -0.54 1.03 -0.13 1.20 0.00 0.00 173.24 174.95 1m4q s ARG 144 N -4.58 4.37 0.00 5.44 1.81 -0.73 -4.87 118.95 120.39 1m4q s ARG 144 Ca 0.45 1.53 0.18 0.00 -1.72 0.00 0.00 55.73 56.17 1m4q s ARG 144 Cb -0.10 -2.75 1.05 0.00 -0.45 0.00 0.00 34.95 32.70 1m4q s ARG 144 CO 0.41 0.04 1.45 -0.35 -0.68 0.00 0.00 175.30 176.17