#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4q h VAL 3 N 0.00 0.74 0.00 0.00 3.04 -2.06 -3.31 116.25 114.66 1m4q h VAL 3 Ca 0.00 -2.25 0.00 0.00 -1.01 0.00 0.00 66.70 63.44 1m4q h VAL 3 Cb 0.00 2.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1m4q h VAL 3 CO 0.00 0.42 0.00 -1.28 -1.01 0.00 0.00 177.57 175.70 1m4q h SER 4 N 0.00 0.00 -0.66 3.17 0.87 -2.00 -3.29 113.55 111.63 1m4q h SER 4 Ca -0.12 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1m4q h SER 4 Cb 1.59 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.46 1m4q h SER 4 CO 0.06 0.00 0.23 -0.33 -0.53 0.00 0.00 176.83 176.27 1m4q h GLU 5 N 0.00 0.38 -0.28 2.24 5.08 -1.99 0.73 114.58 120.73 1m4q h GLU 5 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1m4q h GLU 5 Cb 0.91 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1m4q h GLU 5 CO 0.00 0.25 0.17 1.03 -1.00 0.00 0.00 179.01 179.47 1m4q h SER 6 N 0.39 0.29 0.66 1.42 0.87 -1.79 -2.04 113.55 113.35 1m4q h SER 6 Ca 0.35 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.83 1m4q h SER 6 Cb 0.48 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1m4q h SER 6 CO -0.36 0.21 -0.36 -0.61 -0.53 0.00 0.00 176.83 175.18 1m4q h GLN 7 N 0.36 0.00 -0.00 2.24 5.75 -1.43 -3.18 115.11 118.85 1m4q h GLN 7 Ca 0.11 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1m4q h GLN 7 Cb -0.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1m4q h GLN 7 CO -0.04 0.36 -0.03 1.25 -2.65 0.00 0.00 178.83 177.71 1m4q h LEU 8 N 0.00 -0.09 -1.27 -2.39 5.85 0.12 -1.46 115.31 116.06 1m4q h LEU 8 Ca -0.00 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.87 1m4q h LEU 8 Cb 0.78 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1m4q h LEU 8 CO 0.05 -0.05 0.57 0.07 -0.34 0.00 0.00 178.44 178.74 1m4q h LYS 9 N -0.05 0.69 0.00 1.25 2.10 -1.47 0.24 116.57 119.33 1m4q h LYS 9 Ca 0.01 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1m4q h LYS 9 Cb 0.07 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 1m4q h LYS 9 CO -0.03 0.46 -0.28 0.87 -2.00 0.00 0.00 179.45 178.46 1m4q h LYS 10 N 0.71 0.00 0.00 0.07 1.57 -1.49 -2.86 116.57 114.57 1m4q h LYS 10 Ca 0.44 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.20 1m4q h LYS 10 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1m4q h LYS 10 CO -0.20 0.28 -0.10 1.98 -0.57 0.00 0.00 179.45 180.84 1m4q h MET 11 N 0.00 0.00 0.00 3.15 4.05 0.52 -3.38 114.93 119.27 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 0.86 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1m4q h MET 11 CO 0.04 0.10 0.00 1.33 0.23 0.00 0.00 176.91 178.61 1m4q n VAL 12 N -4.32 0.00 0.00 -5.77 0.24 -1.14 -4.87 118.33 102.47 1m4q n VAL 12 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1m4q n VAL 12 Cb 0.18 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 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 -0.61 0.00 0.00 -1.34 7.64 -1.09 -4.10 113.62 114.11 1m4q n SER 13 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1m4q n SER 13 Cb 0.00 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.00 0.98 -2.24 1.43 5.02 -1.26 -4.84 118.16 117.25 1m4q n LYS 14 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1m4q n LYS 14 Cb 0.00 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.00 3.25 0.60 2.13 1.51 -1.26 -4.89 117.35 116.69 1m4q s TYR 15 Ca 0.29 1.41 0.31 0.00 -1.01 0.00 0.00 57.07 58.07 1m4q s TYR 15 Cb 0.13 -3.56 1.87 0.00 -0.11 0.00 0.00 41.96 40.29 1m4q s TYR 15 CO 0.22 -1.56 2.25 -0.22 -1.11 0.00 0.00 175.55 175.14 1m4q h LYS 16 N 4.20 0.00 -1.56 -0.62 3.64 -1.89 -2.93 116.57 117.41 1m4q h LYS 16 Ca -0.47 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.46 1m4q h LYS 16 Cb 1.22 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.63 1m4q h LYS 16 CO 0.70 0.00 -1.11 0.66 -2.27 0.00 0.00 179.45 177.43 1m4q n TYR 17 N -3.78 1.23 -0.29 1.91 4.01 -1.26 -4.94 117.16 114.04 1m4q n TYR 17 Ca -0.03 -3.34 0.12 0.00 -0.16 0.00 0.00 57.90 54.49 1m4q n TYR 17 Cb 0.10 -0.38 0.28 0.00 -0.31 0.00 0.00 39.34 39.03 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 2.96 0.25 0.32 -0.72 2.43 -1.83 0.38 114.38 118.16 1m4q h ARG 18 Ca 0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1m4q h ARG 18 Cb 1.01 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1m4q h ARG 18 CO 0.56 0.16 -0.19 0.22 -1.51 0.00 0.00 179.97 179.21 1m4q h ASP 19 N 0.25 -0.48 0.45 -3.80 3.58 -1.92 0.89 116.42 115.39 1m4q h ASP 19 Ca 0.53 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.98 1m4q h ASP 19 Cb 1.04 0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 1m4q h ASP 19 CO -0.61 -0.31 -0.15 0.25 -2.88 0.00 0.00 179.24 175.54 1m4q h LEU 20 N -0.49 0.00 0.12 2.28 5.85 -1.54 -1.05 115.31 120.49 1m4q h LEU 20 Ca -0.03 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.46 1m4q h LEU 20 Cb 0.40 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.44 1m4q h LEU 20 CO 0.03 0.15 -1.08 0.74 -0.34 0.00 0.00 178.44 177.94 1m4q h THR 21 N 0.00 1.28 -0.60 1.05 2.02 0.24 -3.16 112.91 113.74 1m4q h THR 21 Ca -0.00 -2.46 -0.06 0.00 0.77 0.00 0.00 66.41 64.66 1m4q h THR 21 Cb 0.41 2.95 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 1m4q h THR 21 CO 0.02 0.70 0.14 0.58 0.37 0.00 0.00 175.52 177.32 1m4q h VAL 22 N -0.38 1.25 -0.61 3.16 2.07 0.94 -1.53 116.25 121.16 1m4q h VAL 22 Ca -0.22 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1m4q h VAL 22 Cb 1.67 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1m4q h VAL 22 CO 0.09 0.34 0.39 -0.09 0.02 0.00 0.00 177.57 178.33 1m4q h ARG 23 N 0.87 0.76 -0.48 1.57 2.43 -1.33 0.16 114.38 118.36 1m4q h ARG 23 Ca 0.19 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1m4q h ARG 23 Cb 0.36 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1m4q h ARG 23 CO 0.00 0.50 0.14 0.93 -1.51 0.00 0.00 179.97 180.04 1m4q h GLU 24 N 0.78 0.75 0.81 0.20 3.07 -1.47 -0.89 114.58 117.84 1m4q h GLU 24 Ca 0.23 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1m4q h GLU 24 Cb -0.04 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1m4q h GLU 24 CO -0.07 0.72 -0.39 1.15 -1.40 0.00 0.00 179.01 179.02 1m4q h THR 25 N 0.64 0.14 -0.69 1.13 2.02 -0.79 -1.85 112.91 113.51 1m4q h THR 25 Ca 0.15 -0.10 0.11 0.00 0.77 0.00 0.00 66.41 67.34 1m4q h THR 25 Cb 0.29 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.77 1m4q h THR 25 CO -0.00 0.01 0.30 -0.37 0.37 0.00 0.00 175.52 175.82 1m4q h VAL 26 N -1.18 0.77 -0.38 3.16 -1.51 -0.71 -0.85 116.25 115.54 1m4q h VAL 26 Ca -0.11 -0.17 0.04 0.00 -1.23 0.00 0.00 66.70 65.23 1m4q h VAL 26 Cb 0.85 0.23 -0.04 0.00 -2.13 0.00 0.00 31.29 30.20 1m4q h VAL 26 CO 0.18 0.09 0.16 -1.13 -1.23 0.00 0.00 177.57 175.64 1m4q h ASN 27 N 0.50 0.20 0.09 4.19 -0.73 -1.09 1.08 115.58 119.81 1m4q h ASN 27 Ca 0.35 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.55 1m4q h ASN 27 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1m4q h ASN 27 CO -0.32 0.15 -0.04 0.58 -0.37 0.00 0.00 177.43 177.44 1m4q h VAL 28 N 0.33 1.02 -0.36 2.57 2.07 -0.53 0.10 116.25 121.45 1m4q h VAL 28 Ca 0.17 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 1m4q h VAL 28 Cb 0.12 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1m4q h VAL 28 CO -0.15 0.09 -0.27 0.16 0.02 0.00 0.00 177.57 177.41 1m4q h ILE 29 N -0.28 1.28 0.00 4.57 3.07 -1.01 -0.76 117.51 124.37 1m4q h ILE 29 Ca -0.01 -1.43 -0.08 0.00 1.55 0.00 0.00 64.86 64.88 1m4q h ILE 29 Cb 0.24 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.18 1m4q h ILE 29 CO 0.02 0.47 -0.38 0.74 -1.05 0.00 0.00 178.15 177.95 1m4q h THR 30 N 0.62 1.23 0.20 0.16 2.02 0.12 0.91 112.91 118.18 1m4q h THR 30 Ca 0.07 -1.34 -0.29 0.00 0.77 0.00 0.00 66.41 65.62 1m4q h THR 30 Cb 0.85 1.73 0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1m4q h THR 30 CO 0.07 0.38 -1.29 0.25 0.37 0.00 0.00 175.52 175.30 1m4q h LEU 31 N 0.00 0.68 0.05 2.58 5.85 -0.68 -3.37 115.31 120.41 1m4q h LEU 31 Ca -0.00 -0.93 -0.10 0.00 0.84 0.00 0.00 57.88 57.69 1m4q h LEU 31 Cb 0.70 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1m4q h LEU 31 CO 0.05 1.61 -0.47 1.88 -0.34 0.00 0.00 178.44 181.17 1m4q h TYR 32 N -0.06 0.18 0.00 1.25 0.05 -1.07 -3.48 116.97 113.84 1m4q h TYR 32 Ca -0.23 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1m4q h TYR 32 Cb 1.97 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.70 1m4q h TYR 32 CO 0.15 1.18 0.00 0.36 -1.05 0.00 0.00 178.16 178.80 1m4q n LYS 33 N -4.41 0.00 -0.01 4.88 -0.00 0.32 -4.74 118.16 114.20 1m4q n LYS 33 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1m4q n LYS 33 Cb 0.63 -2.46 -0.02 0.00 -0.00 0.00 0.00 35.03 33.17 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 4.27 -4.53 -5.58 8.00 -1.26 -4.95 116.55 112.50 1m4q n ASP 34 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1m4q n ASP 34 Cb 0.00 0.92 -0.04 0.00 -0.02 0.00 0.00 41.12 41.97 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 -3.62 4.05 0.12 0.64 2.96 -1.26 -3.64 118.68 117.94 1m4q s LEU 35 Ca -0.01 -0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 53.53 1m4q s LEU 35 Cb 0.02 -2.93 -0.07 0.00 0.50 0.00 0.00 46.19 43.71 1m4q s LEU 35 CO 0.13 -1.19 0.53 -0.75 -1.32 0.00 0.00 176.35 173.74 1m4q s LYS 36 N 3.94 3.97 0.18 1.98 2.20 0.30 -4.40 119.74 127.90 1m4q s LYS 36 Ca 0.32 0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.10 1m4q s LYS 36 Cb -0.12 -2.98 -0.07 0.00 -1.51 0.00 0.00 37.83 33.15 1m4q s LYS 36 CO 0.21 0.51 1.01 -1.25 -0.36 0.00 0.00 175.35 175.47 1m4q s PRO 37 N -1.83 4.70 0.02 4.03 0.04 -1.26 -0.97 135.00 139.73 1m4q s PRO 37 Ca 0.36 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.99 1m4q s PRO 37 Cb -0.15 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 1m4q s PRO 37 CO 0.19 0.25 -0.06 0.54 0.04 0.00 0.00 177.00 177.96 1m4q s VAL 38 N -0.47 0.45 0.23 -0.36 0.11 0.23 -4.92 120.40 115.66 1m4q s VAL 38 Ca 0.46 -0.59 -0.05 0.00 -2.93 0.00 0.00 61.98 58.86 1m4q s VAL 38 Cb -0.27 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.08 1m4q s VAL 38 CO 0.33 -0.11 0.49 -0.22 -3.33 0.00 0.00 175.10 172.26 1m4q s LEU 39 N -0.76 4.16 0.17 2.54 1.98 -1.26 0.13 118.68 125.63 1m4q s LEU 39 Ca -0.03 0.69 -0.19 0.00 -2.89 0.00 0.00 54.13 51.71 1m4q s LEU 39 Cb -0.05 -3.47 0.04 0.00 0.66 0.00 0.00 46.19 43.37 1m4q s LEU 39 CO 0.00 -0.08 0.52 -1.81 -1.89 0.00 0.00 176.35 173.09 1m4q s ASP 40 N -2.79 -0.33 -0.28 3.68 1.11 -0.29 -4.80 116.67 112.98 1m4q s ASP 40 Ca 0.43 -0.33 -0.17 0.00 0.18 0.00 0.00 52.55 52.66 1m4q s ASP 40 Cb -0.11 0.57 0.11 0.00 1.07 0.00 0.00 42.92 44.55 1m4q s ASP 40 CO 0.26 -1.00 0.83 -0.55 1.18 0.00 0.00 175.17 175.90 1m4q s SER 41 N -2.83 -0.72 0.13 0.27 0.15 -1.25 0.11 113.70 109.55 1m4q s SER 41 Ca 0.06 1.18 -0.00 0.00 0.70 0.00 0.00 55.95 57.89 1m4q s SER 41 Cb -0.01 1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 65.55 1m4q s SER 41 CO -0.07 -0.19 0.02 -0.47 1.20 0.00 0.00 173.24 173.73 1m4q s TYR 42 N 1.35 0.90 0.27 3.44 5.04 -1.15 -4.89 117.35 122.31 1m4q s TYR 42 Ca -0.08 -1.13 -0.16 0.00 -2.44 0.00 0.00 57.07 53.26 1m4q s TYR 42 Cb -0.04 -0.52 -0.08 0.00 0.35 0.00 0.00 41.96 41.66 1m4q s TYR 42 CO -0.16 -0.39 0.70 0.14 -1.34 0.00 0.00 175.55 174.50 1m4q s VAL 43 N -3.90 4.68 0.11 3.14 -7.23 -1.26 -1.43 120.40 114.52 1m4q s VAL 43 Ca 0.20 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.38 1m4q s VAL 43 Cb 0.07 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1m4q s VAL 43 CO -0.00 -0.01 0.00 0.49 -0.31 0.00 0.00 175.10 175.27 1m4q n PHE 44 N 0.10 -1.83 -1.53 2.82 3.72 -0.38 -4.84 117.46 115.53 1m4q n PHE 44 Ca 0.01 0.29 -0.13 0.00 -0.05 0.00 0.00 57.45 57.56 1m4q n PHE 44 Cb 0.52 0.98 -0.10 0.00 -0.94 0.00 0.00 39.48 39.95 1m4q n PHE 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1m4q n ASN 45 N -2.78 1.19 -1.89 4.37 5.15 -1.24 -2.74 115.26 117.32 1m4q n ASN 45 Ca 0.00 -1.76 -0.16 0.00 -0.60 0.00 0.00 54.58 52.05 1m4q n ASN 45 Cb 0.00 -1.55 -0.04 0.00 -0.53 0.00 0.00 39.78 37.66 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1m4q n ASP 46 N 17.49 -4.53 0.00 1.20 9.92 -1.26 -0.56 116.55 138.81 1m4q n ASP 46 Ca 0.44 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.97 1m4q n ASP 46 Cb 0.42 -3.97 0.00 0.00 -0.64 0.00 0.00 41.12 36.93 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 -0.56 1.07 3.67 0.44 0.00 -1.11 -5.07 105.19 103.63 1m4q n GLY 47 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1m4q n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m4q s SER 48 N -2.00 7.12 0.25 1.61 1.04 0.28 -4.60 113.70 117.41 1m4q s SER 48 Ca 0.00 1.38 -0.30 0.00 0.48 0.00 0.00 55.95 57.52 1m4q s SER 48 Cb 0.00 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 1m4q s SER 48 CO 0.00 -0.49 1.12 -0.44 0.98 0.00 0.00 173.24 174.41 1m4q s SER 49 N 1.15 7.22 -0.02 7.02 0.01 -1.26 -1.25 113.70 126.57 1m4q s SER 49 Ca 0.44 2.26 0.01 0.00 1.31 0.00 0.00 55.95 59.97 1m4q s SER 49 Cb -0.17 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1m4q s SER 49 CO 0.13 -0.21 -0.05 0.00 0.41 0.00 0.00 173.24 173.53 1m4q s ARG 50 N -1.11 0.53 0.04 12.44 1.04 -0.51 -4.94 118.95 126.44 1m4q s ARG 50 Ca 0.47 -0.15 -0.30 0.00 -1.04 0.00 0.00 55.73 54.70 1m4q s ARG 50 Cb -0.32 -0.54 -0.06 0.00 -2.04 0.00 0.00 34.95 31.99 1m4q s ARG 50 CO 0.40 0.05 1.44 -1.21 -0.04 0.00 0.00 175.30 175.94 1m4q s GLU 51 N 0.22 4.28 -0.18 3.89 2.02 -1.26 -2.91 118.70 124.76 1m4q s GLU 51 Ca -0.02 2.05 -0.04 0.00 0.02 0.00 0.00 54.97 56.97 1m4q s GLU 51 Cb -0.06 -3.51 0.08 0.00 0.10 0.00 0.00 34.13 30.74 1m4q s GLU 51 CO -0.00 -0.57 0.16 -1.17 0.02 0.00 0.00 175.26 173.70 1m4q s LEU 52 N 2.15 0.07 0.58 1.80 0.20 0.30 -4.82 118.68 118.96 1m4q s LEU 52 Ca 0.66 -0.31 -0.13 0.00 0.69 0.00 0.00 54.13 55.03 1m4q s LEU 52 Cb -0.34 0.13 -0.05 0.00 -0.43 0.00 0.00 46.19 45.50 1m4q s LEU 52 CO 0.28 -0.33 1.01 -0.32 -0.29 0.00 0.00 176.35 176.71 1m4q s MET 53 N 2.25 3.72 0.25 1.98 1.75 -1.20 -1.13 119.30 126.92 1m4q s MET 53 Ca 0.05 0.84 -0.08 0.00 -1.25 0.00 0.00 55.69 55.24 1m4q s MET 53 Cb -0.15 -2.10 -0.01 0.00 2.84 0.00 0.00 34.83 35.40 1m4q s MET 53 CO -0.10 -0.46 0.38 0.54 -0.65 0.00 0.00 175.02 174.73 1m4q s ASN 54 N -3.72 0.12 -0.01 1.11 2.20 0.34 0.10 114.94 115.07 1m4q s ASN 54 Ca 0.57 -1.13 0.04 0.00 -0.94 0.00 0.00 52.86 51.39 1m4q s ASN 54 Cb -0.11 0.54 -0.01 0.00 -2.00 0.00 0.00 41.25 39.68 1m4q s ASN 54 CO 0.45 -1.08 -0.13 -0.76 -2.94 0.00 0.00 177.10 172.64 1m4q s LEU 55 N -3.09 2.01 0.04 3.54 1.43 0.14 0.76 118.68 123.51 1m4q s LEU 55 Ca 0.28 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1m4q s LEU 55 Cb 0.01 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.54 1m4q s LEU 55 CO 0.11 0.16 0.10 0.28 0.23 0.00 0.00 176.35 177.23 1m4q s THR 56 N -0.28 0.14 0.00 5.49 -1.32 -0.14 -0.03 115.64 119.51 1m4q s THR 56 Ca 0.04 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.38 1m4q s THR 56 Cb -0.05 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1m4q s THR 56 CO -0.00 -0.63 0.00 0.61 -2.21 0.00 0.00 174.62 172.38 1m4q n GLY 57 N 0.64 2.61 3.51 6.08 0.00 -1.12 0.11 105.19 117.02 1m4q n GLY 57 Ca -0.18 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 0.15 2.61 -4.23 -1.24 -1.43 115.64 114.34 1m4q s THR 58 Ca 0.00 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.42 1m4q s THR 58 Cb 0.00 -4.22 -0.07 0.00 1.34 0.00 0.00 72.50 69.55 1m4q s THR 58 CO 0.00 -0.63 0.49 0.27 -0.54 0.00 0.00 174.62 174.21 1m4q s ILE 59 N 2.80 4.98 -0.13 2.99 -4.36 0.14 -4.63 121.20 122.99 1m4q s ILE 59 Ca 0.21 0.53 -0.29 0.00 -0.26 0.00 0.00 60.65 60.84 1m4q s ILE 59 Cb -0.15 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 39.86 1m4q s ILE 59 CO 0.18 0.13 1.65 -2.16 0.24 0.00 0.00 174.94 174.98 1m4q s PRO 60 N -2.29 3.98 -0.34 0.37 0.04 -1.26 -1.10 135.00 134.40 1m4q s PRO 60 Ca 0.40 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 1m4q s PRO 60 Cb -0.13 -4.02 0.07 0.00 0.04 0.00 0.00 34.50 30.46 1m4q s PRO 60 CO 0.20 -1.08 0.07 0.08 0.04 0.00 0.00 177.00 176.31 1m4q s VAL 61 N 4.67 3.12 0.18 -0.36 1.01 -0.14 -4.94 120.40 123.94 1m4q s VAL 61 Ca 0.73 -1.59 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1m4q s VAL 61 Cb -0.30 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 1m4q s VAL 61 CO 0.29 -0.30 1.12 -2.16 0.00 0.00 0.00 175.10 174.06 1m4q s PRO 62 N 1.22 4.56 0.00 2.72 0.04 -1.26 -1.58 135.00 140.70 1m4q s PRO 62 Ca -0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1m4q s PRO 62 Cb -0.21 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1m4q s PRO 62 CO -0.02 0.03 0.00 0.98 0.04 0.00 0.00 177.00 178.03 1m4q n TYR 63 N 2.42 -0.26 -0.01 0.56 9.36 0.24 -4.62 117.16 124.86 1m4q n TYR 63 Ca 0.03 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.47 1m4q n TYR 63 Cb 0.46 0.00 0.72 0.00 -0.63 0.00 0.00 39.34 39.89 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 3.08 -1.97 -3.32 114.38 115.16 1m4q h ARG 64 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1m4q h ARG 64 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1m4q h ARG 64 CO 0.00 0.00 -0.10 0.41 -1.07 0.00 0.00 179.97 179.21 1m4q n GLY 65 N -1.61 0.36 1.26 0.04 0.00 -1.26 -5.15 105.19 98.83 1m4q n GLY 65 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.39 -3.22 1.61 3.02 -1.25 -5.16 115.26 109.87 1m4q n ASN 66 Ca -0.10 -1.79 0.01 0.00 -0.03 0.00 0.00 54.58 52.67 1m4q n ASN 66 Cb 0.44 0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 40.38 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 -2.55 -0.91 0.52 3.41 2.01 -1.26 0.82 115.64 117.68 1m4q s THR 67 Ca 0.13 -0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1m4q s THR 67 Cb 0.00 -0.96 0.09 0.00 0.01 0.00 0.00 72.50 71.65 1m4q s THR 67 CO 0.10 -0.02 0.72 -1.22 -0.69 0.00 0.00 174.62 173.50 1m4q n TYR 68 N 5.42 -2.55 -3.77 4.92 4.02 -0.62 -4.80 117.16 119.78 1m4q n TYR 68 Ca -0.02 -1.72 -0.33 0.00 -0.01 0.00 0.00 57.90 55.82 1m4q n TYR 68 Cb 0.51 -0.50 -0.10 0.00 -0.02 0.00 0.00 39.34 39.23 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 -4.15 5.32 -0.10 7.72 0.01 -1.26 -0.96 114.94 121.52 1m4q s ASN 69 Ca 0.53 -3.57 -0.30 0.00 -0.71 0.00 0.00 52.86 48.81 1m4q s ASN 69 Cb -0.04 -1.78 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 1m4q s ASN 69 CO 0.34 -0.18 1.27 -0.51 -1.51 0.00 0.00 177.10 176.51 1m4q s ILE 70 N -1.09 4.17 0.39 0.60 1.10 -0.26 -4.58 121.20 121.53 1m4q s ILE 70 Ca 0.24 1.47 -0.20 0.00 -0.51 0.00 0.00 60.65 61.65 1m4q s ILE 70 Cb -0.10 -3.95 -0.10 0.00 0.15 0.00 0.00 42.46 38.46 1m4q s ILE 70 CO -0.11 -0.06 0.90 -2.16 -2.11 0.00 0.00 174.94 171.40 1m4q s PRO 71 N 2.86 4.21 0.33 3.50 0.04 -1.26 0.29 135.00 144.98 1m4q s PRO 71 Ca 0.57 1.04 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 1m4q s PRO 71 Cb -0.25 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 32.01 1m4q s PRO 71 CO 0.20 0.04 0.48 1.51 0.04 0.00 0.00 177.00 179.27 1m4q n ILE 72 N -0.46 0.00 -3.66 0.56 3.06 -0.51 -3.63 119.36 114.72 1m4q n ILE 72 Ca 0.06 -1.64 -0.08 0.00 -2.50 0.00 0.00 62.75 58.58 1m4q n ILE 72 Cb 0.53 1.03 -0.08 0.00 0.54 0.00 0.00 39.64 41.66 1m4q n ILE 72 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1m4q s LEU 74 N 1.50 0.82 0.57 0.00 1.98 0.96 -2.23 118.68 122.27 1m4q s LEU 74 Ca -0.09 -0.02 -0.11 0.00 -2.89 0.00 0.00 54.13 51.02 1m4q s LEU 74 Cb -0.06 -0.26 -0.05 0.00 0.66 0.00 0.00 46.19 46.48 1m4q s LEU 74 CO -0.17 -0.15 0.96 0.26 -1.89 0.00 0.00 176.35 175.36 1m4q s TRP 75 N 1.49 3.58 -0.12 5.38 0.52 -1.22 0.24 118.94 128.81 1m4q s TRP 75 Ca -0.03 1.21 -0.04 0.00 0.02 0.00 0.00 56.10 57.26 1m4q s TRP 75 Cb -0.13 -2.63 0.06 0.00 -1.15 0.00 0.00 33.47 29.62 1m4q s TRP 75 CO -0.03 -0.53 0.18 -1.17 0.02 0.00 0.00 176.95 175.42 1m4q s LEU 76 N -4.87 -0.09 0.00 2.99 2.96 0.28 -4.68 118.68 115.27 1m4q s LEU 76 Ca 0.54 0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 54.48 1m4q s LEU 76 Cb -0.11 0.32 0.26 0.00 0.50 0.00 0.00 46.19 47.17 1m4q s LEU 76 CO 0.48 -0.27 1.06 0.18 -1.32 0.00 0.00 176.35 176.48 1m4q n LEU 77 N 5.33 0.00 0.43 -0.68 4.77 -1.26 -3.21 117.00 122.37 1m4q n LEU 77 Ca -0.05 -1.13 -0.17 0.00 -0.03 0.00 0.00 56.01 54.63 1m4q n LEU 77 Cb 0.50 -0.92 -0.08 0.00 -2.33 0.00 0.00 43.42 40.58 1m4q n LEU 77 CO 0.05 -1.89 0.44 0.44 -1.33 0.00 0.00 177.39 175.11 1m4q h ASP 78 N -2.33 -0.94 0.00 -1.43 3.32 -1.98 -3.46 116.42 109.59 1m4q h ASP 78 Ca -0.38 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1m4q h ASP 78 Cb 1.13 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1m4q h ASP 78 CO 0.25 -0.59 0.00 0.35 -1.72 0.00 0.00 179.24 177.54 1m4q n THR 79 N -5.46 0.00 -3.98 0.35 -2.24 -1.26 -4.45 114.28 97.24 1m4q n THR 79 Ca -0.14 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.41 1m4q n THR 79 Cb 0.44 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 1m4q n THR 79 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1m4q s TYR 80 N -1.00 2.64 -0.03 4.78 1.51 -1.26 -4.41 117.35 119.59 1m4q s TYR 80 Ca 0.00 -0.55 -0.23 0.00 -1.01 0.00 0.00 57.07 55.28 1m4q s TYR 80 Cb 0.00 -1.99 -0.16 0.00 -0.11 0.00 0.00 41.96 39.70 1m4q s TYR 80 CO 0.00 0.12 1.01 -1.00 -1.11 0.00 0.00 175.55 174.57 1m4q h PRO 81 N 1.33 -0.27 -0.28 -1.71 0.13 -2.01 -3.44 132.00 125.76 1m4q h PRO 81 Ca -0.42 0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 64.49 1m4q h PRO 81 Cb 1.26 0.06 -0.16 0.00 0.13 0.00 0.00 31.00 32.29 1m4q h PRO 81 CO 0.66 0.12 -0.53 0.98 -0.23 0.00 0.00 178.00 179.01 1m4q n TYR 82 N -4.99 -3.26 -1.61 1.56 4.19 -1.26 -5.11 117.16 106.67 1m4q n TYR 82 Ca -0.08 -1.80 0.00 0.00 3.31 0.00 0.00 57.90 59.33 1m4q n TYR 82 Cb 0.26 1.45 0.00 0.00 0.49 0.00 0.00 39.34 41.54 1m4q n TYR 82 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1m4q n ASN 83 N 1.85 -8.22 -4.71 2.98 2.85 -1.26 -4.87 115.26 103.87 1m4q n ASN 83 Ca 0.11 1.14 -0.42 0.00 -0.11 0.00 0.00 54.58 55.30 1m4q n ASN 83 Cb 0.61 -4.15 -0.03 0.00 1.24 0.00 0.00 39.78 37.46 1m4q n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1m4q s PRO 84 N -2.21 4.44 0.00 1.20 0.04 -1.26 -4.93 135.00 132.29 1m4q s PRO 84 Ca 0.00 1.70 0.27 0.00 0.04 0.00 0.00 61.00 63.00 1m4q s PRO 84 Cb 0.00 -3.40 1.47 0.00 0.04 0.00 0.00 34.50 32.61 1m4q s PRO 84 CO 0.00 -0.25 1.92 -0.35 0.04 0.00 0.00 177.00 178.37 1m4q n PRO 85 N 4.10 0.62 -1.84 0.56 -0.04 -1.26 -4.81 135.00 132.33 1m4q n PRO 85 Ca 0.09 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 1m4q n PRO 85 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1m4q n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1m4q s ILE 86 N -2.28 3.30 -0.12 0.52 1.01 -1.26 -4.97 121.20 117.40 1m4q s ILE 86 Ca 0.33 0.34 -0.07 0.00 0.00 0.00 0.00 60.65 61.25 1m4q s ILE 86 Cb 0.18 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.40 1m4q s ILE 86 CO 0.35 -0.11 0.29 0.00 0.00 0.00 0.00 174.94 175.47 1m4q s PHE 88 N 1.16 -0.20 0.07 0.00 -0.12 -0.95 -0.72 117.98 117.23 1m4q s PHE 88 Ca -0.08 0.38 -0.10 0.00 -0.05 0.00 0.00 56.93 57.08 1m4q s PHE 88 Cb -0.09 0.09 -0.06 0.00 -0.63 0.00 0.00 43.02 42.33 1m4q s PHE 88 CO -0.09 -0.33 0.40 0.54 -0.05 0.00 0.00 175.22 175.70 1m4q s VAL 89 N -0.96 5.09 -0.49 -2.49 0.11 0.97 -0.86 120.40 121.76 1m4q s VAL 89 Ca -0.10 0.48 -0.17 0.00 -2.93 0.00 0.00 61.98 59.25 1m4q s VAL 89 Cb -0.05 -3.65 0.07 0.00 -1.53 0.00 0.00 36.38 31.22 1m4q s VAL 89 CO 0.03 0.31 0.52 -0.54 -3.33 0.00 0.00 175.10 172.09 1m4q s LYS 90 N -1.84 3.06 -0.14 1.54 -0.14 -1.24 -4.65 119.74 116.33 1m4q s LYS 90 Ca 0.32 -1.11 -0.18 0.00 -1.36 0.00 0.00 55.97 53.64 1m4q s LYS 90 Cb -0.14 -4.12 -0.04 0.00 -1.68 0.00 0.00 37.83 31.85 1m4q s LYS 90 CO 0.18 -1.14 0.49 -1.25 -0.76 0.00 0.00 175.35 172.87 1m4q s PRO 91 N 2.17 4.31 0.68 -1.68 0.04 -1.26 -4.66 135.00 134.59 1m4q s PRO 91 Ca 0.10 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.48 1m4q s PRO 91 Cb -0.22 -3.46 -0.00 0.00 0.04 0.00 0.00 34.50 30.86 1m4q s PRO 91 CO 0.09 0.09 1.06 0.95 0.04 0.00 0.00 177.00 179.23 1m4q s THR 92 N 0.86 4.08 0.59 1.26 -4.23 -1.26 -4.87 115.64 112.06 1m4q s THR 92 Ca 0.26 0.68 0.29 0.00 -1.18 0.00 0.00 61.69 61.73 1m4q s THR 92 Cb -0.15 -3.57 0.37 0.00 1.34 0.00 0.00 72.50 70.49 1m4q s THR 92 CO 0.10 -0.88 1.99 -1.28 -0.54 0.00 0.00 174.62 174.01 1m4q h SER 93 N -0.59 0.00 -0.47 3.99 0.87 -2.06 0.42 113.55 115.71 1m4q h SER 93 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1m4q h SER 93 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1m4q h SER 93 CO 0.61 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.71 1m4q n SER 94 N -3.75 3.52 -4.96 6.23 7.64 -1.26 -4.97 113.62 116.08 1m4q n SER 94 Ca 0.05 -1.98 -0.22 0.00 1.01 0.00 0.00 58.87 57.73 1m4q n SER 94 Cb 0.51 -0.31 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.30 2.90 -0.17 1.43 0.00 0.15 -2.49 119.30 119.82 1m4q s MET 95 Ca 0.40 -0.56 -0.04 0.00 0.00 0.00 0.00 55.69 55.48 1m4q s MET 95 Cb 0.22 -2.53 0.06 0.00 0.00 0.00 0.00 34.83 32.59 1m4q s MET 95 CO 0.30 -0.42 0.07 0.99 0.00 0.00 0.00 175.02 175.97 1m4q s THR 96 N -2.63 0.08 0.30 10.11 2.01 -0.47 -4.81 115.64 120.22 1m4q s THR 96 Ca 0.51 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 1m4q s THR 96 Cb -0.10 -0.68 -0.10 0.00 0.01 0.00 0.00 72.50 71.63 1m4q s THR 96 CO 0.38 -0.24 1.18 -0.63 -0.69 0.00 0.00 174.62 174.62 1m4q s ILE 97 N 2.06 3.21 -0.40 1.82 1.01 -1.26 -0.19 121.20 127.44 1m4q s ILE 97 Ca 0.01 1.22 -0.13 0.00 0.00 0.00 0.00 60.65 61.75 1m4q s ILE 97 Cb -0.16 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.57 1m4q s ILE 97 CO -0.08 0.29 0.27 -0.75 0.00 0.00 0.00 174.94 174.66 1m4q s LYS 98 N -1.54 2.87 0.41 2.79 2.20 0.10 -4.88 119.74 121.70 1m4q s LYS 98 Ca 0.46 -1.14 -0.25 0.00 -0.36 0.00 0.00 55.97 54.69 1m4q s LYS 98 Cb -0.35 -3.88 -0.08 0.00 -1.51 0.00 0.00 37.83 32.01 1m4q s LYS 98 CO 0.45 -0.79 1.15 0.95 -0.36 0.00 0.00 175.35 176.75 1m4q s THR 99 N 1.60 3.23 -4.54 3.43 -4.23 -1.26 -4.46 115.64 109.40 1m4q s THR 99 Ca 0.03 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1m4q s THR 99 Cb -0.20 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1m4q s THR 99 CO 0.07 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1m4q n GLY 100 N 0.56 -1.82 0.34 3.99 0.00 0.46 -4.88 105.19 103.83 1m4q n GLY 100 Ca 0.05 -1.23 0.18 0.00 0.00 0.00 0.00 46.02 45.03 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 0.44 116.57 118.26 1m4q h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1m4q h LYS 101 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1m4q h LYS 101 CO 0.00 0.00 -1.10 0.72 -0.57 0.00 0.00 179.45 178.50 1m4q n HIS 102 N -3.03 0.59 -3.62 -1.35 8.25 -1.25 -3.69 115.22 111.12 1m4q n HIS 102 Ca -0.02 0.17 -0.16 0.00 -0.26 0.00 0.00 57.72 57.46 1m4q n HIS 102 Cb 0.28 -0.72 -0.07 0.00 1.12 0.00 0.00 29.99 30.61 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 -3.32 0.03 -0.07 1.59 1.01 0.15 -3.24 120.40 116.55 1m4q s VAL 103 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1m4q s VAL 103 Cb 0.12 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1m4q s VAL 103 CO 0.80 -0.12 -0.06 0.44 0.00 0.00 0.00 175.10 176.16 1m4q h ASP 104 N 3.30 0.00 0.00 3.32 3.32 -1.74 0.13 116.42 124.75 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 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1m4q h ASP 104 CO 0.40 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 178.29 1m4q n ALA 105 N -2.80 0.00 0.44 3.45 0.00 -1.26 -4.56 120.51 115.78 1m4q n ALA 105 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1m4q n ALA 105 Cb 0.09 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.75 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 2.63 0.00 0.00 4.13 -1.26 -4.90 115.26 115.87 1m4q n ASN 106 Ca 0.00 -2.02 0.00 0.00 1.68 0.00 0.00 54.58 54.24 1m4q n ASN 106 Cb 0.00 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 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 1.24 2.08 3.77 7.41 0.00 -1.26 -4.86 105.19 113.57 1m4q n GLY 107 Ca 0.16 0.00 -0.36 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 -0.44 3.46 -0.17 1.61 -2.85 -1.26 -0.02 119.74 120.07 1m4q s LYS 108 Ca 0.00 1.73 -0.28 0.00 -1.00 0.00 0.00 55.97 56.42 1m4q s LYS 108 Cb 0.00 -2.17 -0.00 0.00 -2.06 0.00 0.00 37.83 33.60 1m4q s LYS 108 CO 0.00 -0.79 0.99 0.42 0.10 0.00 0.00 175.35 176.07 1m4q s ILE 109 N -1.64 4.76 -0.30 3.79 1.01 0.11 -3.92 121.20 125.02 1m4q s ILE 109 Ca 0.70 1.96 -0.02 0.00 0.00 0.00 0.00 60.65 63.28 1m4q s ILE 109 Cb -0.27 -4.28 0.12 0.00 0.01 0.00 0.00 42.46 38.04 1m4q s ILE 109 CO 0.32 -0.07 0.21 -0.47 0.00 0.00 0.00 174.94 174.93 1m4q s TYR 110 N 2.55 0.01 -0.12 3.97 5.04 -1.20 -4.84 117.35 122.75 1m4q s TYR 110 Ca 0.44 -0.63 -0.33 0.00 -2.44 0.00 0.00 57.07 54.11 1m4q s TYR 110 Cb -0.17 -0.71 0.13 0.00 0.35 0.00 0.00 41.96 41.57 1m4q s TYR 110 CO 0.12 -0.87 1.21 -0.48 -1.34 0.00 0.00 175.55 174.19 1m4q s LEU 111 N 2.13 -0.12 -0.26 6.97 -0.00 -1.24 -3.61 118.68 122.55 1m4q s LEU 111 Ca 0.10 -0.05 -0.28 0.00 -0.00 0.00 0.00 54.13 53.89 1m4q s LEU 111 Cb -0.15 1.43 -0.31 0.00 -0.00 0.00 0.00 46.19 47.15 1m4q s LEU 111 CO -0.32 -0.29 1.70 -0.81 -0.00 0.00 0.00 176.35 176.63 1m4q n PRO 112 N -0.23 0.40 0.00 1.48 -0.04 -1.26 -4.44 135.00 130.91 1m4q n PRO 112 Ca -0.03 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1m4q n PRO 112 Cb 0.60 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1m4q n PRO 112 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1m4q n TYR 113 N 9.22 0.00 -0.02 0.54 9.36 -1.26 -4.41 117.16 130.59 1m4q n TYR 113 Ca 0.47 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.54 1m4q n TYR 113 Cb 0.42 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.09 1m4q n TYR 113 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1m4q h LEU 114 N 0.00 0.85 -0.95 2.98 4.07 -1.97 -2.82 115.31 117.47 1m4q h LEU 114 Ca 0.00 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 57.43 1m4q h LEU 114 Cb 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.49 1m4q h LEU 114 CO 0.00 1.31 0.00 1.41 -1.08 0.00 0.00 178.44 180.08 1m4q n HIS 115 N -3.93 0.62 -0.03 1.13 8.25 -1.26 -3.45 115.22 116.54 1m4q n HIS 115 Ca -0.06 0.29 -0.03 0.00 -0.26 0.00 0.00 57.72 57.67 1m4q n HIS 115 Cb 0.71 -0.97 -0.01 0.00 1.12 0.00 0.00 29.99 30.84 1m4q n HIS 115 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1m4q n GLU 116 N -2.11 0.19 0.00 -0.41 0.00 -1.11 -4.94 120.64 112.25 1m4q n GLU 116 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.39 1m4q n GLU 116 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 31.44 30.54 1m4q n GLU 116 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 1m4q n TRP 117 N -3.21 0.00 -3.46 4.31 -0.00 -1.08 -4.95 117.44 109.05 1m4q n TRP 117 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.29 1m4q n TRP 117 Cb 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.48 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 -1.41 0.02 5.87 4.81 -1.22 -4.93 118.16 121.30 1m4q n LYS 118 Ca 0.00 0.94 -0.15 0.00 -0.87 0.00 0.00 58.31 58.22 1m4q n LYS 118 Cb 0.00 -4.35 -0.05 0.00 0.02 0.00 0.00 35.03 30.65 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1m4q h HIS 119 N -0.58 0.87 0.11 5.64 2.76 -1.92 -3.47 115.15 118.56 1m4q h HIS 119 Ca -0.42 -0.41 -0.01 0.00 -2.20 0.00 0.00 60.37 57.34 1m4q h HIS 119 Cb 1.24 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1m4q h HIS 119 CO 0.26 1.23 -0.05 -1.35 -1.30 0.00 0.00 177.93 176.71 1m4q h PRO 120 N 0.40 -0.15 0.00 5.26 0.11 -2.02 -3.50 132.00 132.10 1m4q h PRO 120 Ca -0.07 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1m4q h PRO 120 Cb 1.46 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.60 1m4q h PRO 120 CO 0.16 -0.10 0.00 0.94 -0.21 0.00 0.00 178.00 178.79 1m4q n GLN 121 N -2.82 0.00 -2.83 1.05 -0.06 -1.26 -4.90 117.38 106.56 1m4q n GLN 121 Ca -0.02 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.57 1m4q n GLN 121 Cb 0.06 -0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.20 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 7.13 0.58 1.69 0.15 -1.26 -5.04 113.70 116.95 1m4q s SER 122 Ca 0.00 1.37 0.10 0.00 0.70 0.00 0.00 55.95 58.12 1m4q s SER 122 Cb 0.00 -2.50 0.10 0.00 -1.71 0.00 0.00 66.02 61.91 1m4q s SER 122 CO 0.00 -0.32 0.79 -0.67 1.20 0.00 0.00 173.24 174.24 1m4q n ASP 123 N 4.55 2.15 -0.35 5.45 -0.08 -1.26 -4.74 116.55 122.27 1m4q n ASP 123 Ca 0.05 -2.56 0.27 0.00 -1.51 0.00 0.00 54.79 51.03 1m4q n ASP 123 Cb 0.50 -0.41 0.52 0.00 2.34 0.00 0.00 41.12 44.07 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1m4q h LEU 124 N 0.00 0.44 0.57 -2.67 7.12 -1.97 0.88 115.31 119.69 1m4q h LEU 124 Ca -0.28 0.17 -0.03 0.00 0.13 0.00 0.00 57.88 57.88 1m4q h LEU 124 Cb 1.26 0.13 0.01 0.00 -0.53 0.00 0.00 40.66 41.52 1m4q h LEU 124 CO 0.40 -0.14 -0.27 0.25 -0.13 0.00 0.00 178.44 178.54 1m4q h LEU 125 N 0.26 -0.65 -2.16 2.25 5.85 -1.93 -3.01 115.31 115.93 1m4q h LEU 125 Ca 0.74 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.49 1m4q h LEU 125 Cb 1.87 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 43.07 1m4q h LEU 125 CO -0.55 -0.25 -0.00 1.23 -0.34 0.00 0.00 178.44 178.53 1m4q h GLY 126 N -1.18 0.00 0.70 3.75 0.00 -1.56 -2.65 103.07 102.14 1m4q h GLY 126 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1m4q h GLY 126 CO 0.13 0.00 -0.41 -2.00 0.00 0.00 0.00 176.54 174.26 1m4q h LEU 127 N 0.00 -1.03 -1.63 3.11 6.46 0.75 -2.21 115.31 120.76 1m4q h LEU 127 Ca -0.00 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1m4q h LEU 127 Cb 0.01 0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 1m4q h LEU 127 CO 0.00 -0.64 0.34 0.40 -0.62 0.00 0.00 178.44 177.92 1m4q h ILE 128 N -1.04 0.98 -0.46 4.05 2.04 -1.38 -1.90 117.51 119.80 1m4q h ILE 128 Ca -0.09 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.65 1m4q h ILE 128 Cb 0.82 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1m4q h ILE 128 CO 0.11 0.08 0.21 -0.61 0.00 0.00 0.00 178.15 177.95 1m4q h GLN 129 N 0.45 0.41 -0.21 2.37 -0.00 -1.17 0.28 115.11 117.25 1m4q h GLN 129 Ca 0.22 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.83 1m4q h GLN 129 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.68 1m4q h GLN 129 CO -0.06 0.27 0.05 0.28 0.00 0.00 0.00 178.83 179.38 1m4q h VAL 130 N 0.43 1.21 -0.51 2.39 2.07 -0.74 -0.45 116.25 120.64 1m4q h VAL 130 Ca 0.20 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1m4q h VAL 130 Cb 0.13 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1m4q h VAL 130 CO -0.16 0.21 0.34 -0.03 0.02 0.00 0.00 177.57 177.95 1m4q h MET 131 N 0.16 0.54 -0.35 1.57 1.85 -1.01 0.11 114.93 117.80 1m4q h MET 131 Ca 0.07 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 58.96 1m4q h MET 131 Cb 0.27 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 1m4q h MET 131 CO 0.00 0.36 -0.42 0.82 -0.40 0.00 0.00 176.91 177.27 1m4q h ILE 132 N 0.56 1.28 0.15 1.77 2.04 -0.00 0.12 117.51 123.42 1m4q h ILE 132 Ca 0.21 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1m4q h ILE 132 Cb 0.13 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1m4q h ILE 132 CO -0.05 0.53 -0.07 0.58 0.00 0.00 0.00 178.15 179.13 1m4q h VAL 133 N 0.70 0.98 -0.18 1.67 2.07 0.24 0.11 116.25 121.84 1m4q h VAL 133 Ca 0.05 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1m4q h VAL 133 Cb 1.00 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1m4q h VAL 133 CO 0.10 0.15 0.12 0.58 0.02 0.00 0.00 177.57 178.53 1m4q h VAL 134 N -0.51 1.04 0.00 2.57 2.07 -0.87 -2.09 116.25 118.47 1m4q h VAL 134 Ca -0.02 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1m4q h VAL 134 Cb 0.40 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1m4q h VAL 134 CO 0.03 0.04 -0.18 -0.26 0.02 0.00 0.00 177.57 177.22 1m4q h PHE 135 N 0.24 0.00 0.00 1.57 -1.00 -0.76 -2.08 116.94 114.91 1m4q h PHE 135 Ca 0.07 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.77 1m4q h PHE 135 Cb -0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 1m4q h PHE 135 CO -0.07 0.18 -0.34 0.78 -1.61 0.00 0.00 178.31 177.25 1m4q h GLY 136 N 0.60 0.00 2.00 -1.45 0.00 -0.10 -2.61 103.07 101.51 1m4q h GLY 136 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1m4q h GLY 136 CO 0.02 0.00 -0.27 -1.80 0.00 0.00 0.00 176.54 174.50 1m4q h ASP 137 N 0.00 0.00 -3.36 0.19 3.58 -1.01 -3.41 116.42 112.40 1m4q h ASP 137 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1m4q h ASP 137 Cb 0.71 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.52 1m4q h ASP 137 CO 0.04 0.27 -0.17 -1.61 -2.88 0.00 0.00 179.24 174.89 1m4q s GLU 138 N -3.15 0.53 -0.24 0.28 2.02 -0.98 -5.07 118.70 112.09 1m4q s GLU 138 Ca 0.05 0.87 -0.29 0.00 0.02 0.00 0.00 54.97 55.62 1m4q s GLU 138 Cb 0.07 0.10 -0.02 0.00 0.10 0.00 0.00 34.13 34.39 1m4q s GLU 138 CO 0.70 -0.13 1.46 -1.25 0.02 0.00 0.00 175.26 176.06 1m4q s PRO 139 N 1.15 3.89 0.44 0.39 0.04 -1.25 -4.44 135.00 135.21 1m4q s PRO 139 Ca -0.07 1.52 0.23 0.00 0.04 0.00 0.00 61.00 62.72 1m4q s PRO 139 Cb -0.06 -3.95 0.94 0.00 0.04 0.00 0.00 34.50 31.47 1m4q s PRO 139 CO -0.11 -1.16 1.84 -1.00 0.04 0.00 0.00 177.00 176.61 1m4q h PRO 140 N 9.91 0.00 -1.39 0.56 0.13 -1.92 -3.41 132.00 135.87 1m4q h PRO 140 Ca -0.30 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 1m4q h PRO 140 Cb 1.13 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.01 1m4q h PRO 140 CO 1.01 0.25 -0.47 0.54 -0.23 0.00 0.00 178.00 179.10 1m4q s VAL 141 N -3.74 -0.79 -0.10 1.56 0.11 -1.26 -0.72 120.40 115.46 1m4q s VAL 141 Ca -0.00 -0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 58.73 1m4q s VAL 141 Cb 0.11 -0.98 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 1m4q s VAL 141 CO 0.64 -0.16 0.37 0.72 -3.33 0.00 0.00 175.10 173.33 1m4q s PHE 142 N 2.65 3.56 0.60 1.54 -0.71 0.73 -4.66 117.98 121.68 1m4q s PHE 142 Ca 0.10 0.78 -0.04 0.00 -1.04 0.00 0.00 56.93 56.73 1m4q s PHE 142 Cb -0.11 -2.36 0.03 0.00 -1.21 0.00 0.00 43.02 39.37 1m4q s PHE 142 CO -0.28 0.37 0.88 0.45 -1.34 0.00 0.00 175.22 175.30 1m4q s SER 143 N -0.02 5.35 0.44 1.98 0.15 -1.26 -1.37 113.70 118.97 1m4q s SER 143 Ca 0.21 0.46 -0.22 0.00 0.70 0.00 0.00 55.95 57.11 1m4q s SER 143 Cb -0.15 -1.38 -0.09 0.00 -1.71 0.00 0.00 66.02 62.70 1m4q s SER 143 CO 0.08 -1.18 1.02 0.00 1.20 0.00 0.00 173.24 174.37 1m4q s ARG 144 N -4.97 4.03 0.00 5.44 1.70 -1.04 -4.84 118.95 119.28 1m4q s ARG 144 Ca 0.55 1.37 0.15 0.00 -0.47 0.00 0.00 55.73 57.33 1m4q s ARG 144 Cb -0.10 -2.29 0.91 0.00 -0.57 0.00 0.00 34.95 32.90 1m4q s ARG 144 CO 0.43 -0.23 1.33 -0.35 -1.08 0.00 0.00 175.30 175.39