#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 1.00 0.02 0.00 2.07 -2.05 -3.24 116.25 114.05 1m4q h VAL 3 Ca 0.00 -2.72 -0.03 0.00 0.82 0.00 0.00 66.70 64.76 1m4q h VAL 3 Cb 0.00 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1m4q h VAL 3 CO 0.00 0.75 -0.14 0.77 0.02 0.00 0.00 177.57 178.97 1m4q h SER 4 N 0.05 0.09 -0.60 0.57 4.64 -2.05 -3.08 113.55 113.17 1m4q h SER 4 Ca -0.27 -0.94 0.10 0.00 -0.47 0.00 0.00 61.79 60.21 1m4q h SER 4 Cb 2.00 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 63.99 1m4q h SER 4 CO 0.12 1.02 0.19 -0.33 -0.87 0.00 0.00 176.83 176.96 1m4q h GLU 5 N -0.83 0.34 -0.45 4.77 5.08 -1.99 0.64 114.58 122.14 1m4q h GLU 5 Ca -0.02 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1m4q h GLU 5 Cb 1.06 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1m4q h GLU 5 CO 0.03 0.23 0.27 1.03 -1.00 0.00 0.00 179.01 179.56 1m4q h SER 6 N 0.35 0.45 0.53 1.42 0.87 -1.68 -1.95 113.55 113.54 1m4q h SER 6 Ca 0.31 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.76 1m4q h SER 6 Cb 0.40 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1m4q h SER 6 CO -0.33 0.32 -0.51 -0.61 -0.53 0.00 0.00 176.83 175.16 1m4q h GLN 7 N 0.55 0.00 -0.25 2.24 -0.00 -1.18 -3.13 115.11 113.33 1m4q h GLN 7 Ca 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.83 1m4q h GLN 7 Cb -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 1m4q h GLN 7 CO -0.07 0.51 0.16 1.25 0.00 0.00 0.00 178.83 180.68 1m4q h LEU 8 N 0.00 0.27 -1.39 -2.39 5.85 0.99 -2.19 115.31 116.45 1m4q h LEU 8 Ca -0.01 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.83 1m4q h LEU 8 Cb 0.91 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1m4q h LEU 8 CO 0.07 0.19 0.53 0.50 -0.34 0.00 0.00 178.44 179.39 1m4q h LYS 9 N 0.32 0.62 0.00 1.25 3.64 -1.39 0.96 116.57 121.97 1m4q h LYS 9 Ca 0.09 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1m4q h LYS 9 Cb -0.03 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1m4q h LYS 9 CO -0.03 0.41 -0.30 0.87 -2.27 0.00 0.00 179.45 178.13 1m4q h LYS 10 N 0.64 0.00 0.00 1.90 1.57 -1.47 -2.94 116.57 116.27 1m4q h LYS 10 Ca 0.39 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1m4q h LYS 10 Cb 0.61 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1m4q h LYS 10 CO -0.15 0.30 -0.01 0.52 -0.57 0.00 0.00 179.45 179.54 1m4q h MET 11 N 0.00 0.00 0.00 3.15 2.86 -0.33 -3.36 114.93 117.25 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 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1m4q h MET 11 CO 0.04 0.01 0.00 1.33 1.06 0.00 0.00 176.91 179.35 1m4q n VAL 12 N -3.20 0.00 -2.64 -2.22 0.24 -1.12 -4.86 118.33 104.53 1m4q n VAL 12 Ca -0.02 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 1m4q n VAL 12 Cb 0.11 -0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 31.62 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 -1.24 -2.62 0.00 -1.34 7.64 -1.18 -4.51 113.62 110.37 1m4q n SER 13 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1m4q n SER 13 Cb 0.00 -2.28 0.00 0.00 -1.01 0.00 0.00 64.21 60.92 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m4q n LYS 14 N -2.83 1.20 -1.91 1.43 5.02 -1.26 -5.13 118.16 114.68 1m4q n LYS 14 Ca -0.06 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.88 1m4q n LYS 14 Cb 0.55 -0.10 0.04 0.00 -0.02 0.00 0.00 35.03 35.50 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 2.38 0.50 2.13 1.51 -1.26 -4.90 117.35 117.71 1m4q s TYR 15 Ca 0.00 1.53 0.19 0.00 -1.01 0.00 0.00 57.07 57.79 1m4q s TYR 15 Cb 0.00 -3.43 1.33 0.00 -0.11 0.00 0.00 41.96 39.75 1m4q s TYR 15 CO 0.00 -2.17 2.12 -0.22 -1.11 0.00 0.00 175.55 174.17 1m4q h LYS 16 N 0.63 0.00 -2.05 -0.62 1.63 -1.98 -3.22 116.57 110.96 1m4q h LYS 16 Ca -0.50 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 58.78 1m4q h LYS 16 Cb 1.29 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.52 1m4q h LYS 16 CO 0.54 0.06 -1.06 0.66 -3.45 0.00 0.00 179.45 176.20 1m4q n TYR 17 N -4.25 0.74 -0.22 1.91 4.02 -1.26 -4.96 117.16 113.14 1m4q n TYR 17 Ca -0.03 -3.79 0.03 0.00 -0.01 0.00 0.00 57.90 54.10 1m4q n TYR 17 Cb 0.15 -0.42 0.13 0.00 -0.02 0.00 0.00 39.34 39.18 1m4q n TYR 17 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1m4q h ARG 18 N 3.36 0.18 0.57 -0.72 2.43 -1.93 0.86 114.38 119.14 1m4q h ARG 18 Ca 0.10 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1m4q h ARG 18 Cb 0.87 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1m4q h ARG 18 CO 0.55 0.12 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.35 1m4q h ASP 19 N 0.19 -0.86 0.46 -3.80 5.19 -1.92 0.87 116.42 116.54 1m4q h ASP 19 Ca 0.36 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.80 1m4q h ASP 19 Cb 0.59 0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 1m4q h ASP 19 CO -0.51 -0.54 -0.06 -0.07 -3.12 0.00 0.00 179.24 174.94 1m4q h LEU 20 N -0.86 0.00 0.08 1.55 -0.00 -1.80 -1.00 115.31 113.28 1m4q h LEU 20 Ca -0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.64 1m4q h LEU 20 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1m4q h LEU 20 CO 0.07 0.06 -0.84 0.74 -0.00 0.00 0.00 178.44 178.47 1m4q h THR 21 N 0.00 1.37 -0.42 0.22 2.02 0.13 -3.07 112.91 113.17 1m4q h THR 21 Ca -0.00 -2.41 -0.03 0.00 0.77 0.00 0.00 66.41 64.74 1m4q h THR 21 Cb 0.30 2.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.68 1m4q h THR 21 CO 0.01 0.64 0.14 0.58 0.37 0.00 0.00 175.52 177.26 1m4q h VAL 22 N -0.59 1.21 -0.55 3.16 2.07 0.95 -1.15 116.25 121.36 1m4q h VAL 22 Ca -0.18 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1m4q h VAL 22 Cb 1.47 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1m4q h VAL 22 CO 0.04 0.24 0.35 -0.09 0.02 0.00 0.00 177.57 178.13 1m4q h ARG 23 N 0.53 0.68 -0.52 1.57 2.43 -1.34 0.02 114.38 117.76 1m4q h ARG 23 Ca 0.14 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1m4q h ARG 23 Cb 0.24 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1m4q h ARG 23 CO -0.01 0.45 0.21 0.93 -1.51 0.00 0.00 179.97 180.05 1m4q h GLU 24 N 0.71 0.78 0.83 0.20 5.08 -1.41 -1.08 114.58 119.68 1m4q h GLU 24 Ca 0.21 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1m4q h GLU 24 Cb -0.04 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.09 1m4q h GLU 24 CO -0.06 0.69 -0.40 1.15 -1.00 0.00 0.00 179.01 179.38 1m4q h THR 25 N 0.71 0.17 -0.92 1.13 2.02 -0.77 -2.29 112.91 112.96 1m4q h THR 25 Ca 0.17 -0.03 0.13 0.00 0.77 0.00 0.00 66.41 67.45 1m4q h THR 25 Cb 0.19 0.18 -0.09 0.00 -1.74 0.00 0.00 68.15 66.70 1m4q h THR 25 CO -0.01 0.00 0.54 -0.37 0.37 0.00 0.00 175.52 176.05 1m4q h VAL 26 N -1.14 0.85 -0.39 3.16 -1.51 -0.98 -1.61 116.25 114.64 1m4q h VAL 26 Ca -0.11 -0.29 0.04 0.00 -1.23 0.00 0.00 66.70 65.11 1m4q h VAL 26 Cb 0.85 -0.05 -0.04 0.00 -2.13 0.00 0.00 31.29 29.92 1m4q h VAL 26 CO 0.19 0.15 0.15 0.78 -1.23 0.00 0.00 177.57 177.60 1m4q h ASN 27 N 0.83 0.17 0.15 4.19 4.21 -1.04 1.11 115.58 125.20 1m4q h ASN 27 Ca 0.47 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 58.01 1m4q h ASN 27 Cb 0.54 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1m4q h ASN 27 CO -0.30 0.13 -0.07 0.58 -1.29 0.00 0.00 177.43 176.49 1m4q h VAL 28 N 0.31 0.93 -0.27 2.81 2.07 -0.73 -0.26 116.25 121.11 1m4q h VAL 28 Ca 0.18 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1m4q h VAL 28 Cb 0.14 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1m4q h VAL 28 CO -0.17 0.08 -0.35 0.16 0.02 0.00 0.00 177.57 177.31 1m4q h ILE 29 N -0.37 1.29 -0.03 4.57 3.07 -1.17 -1.23 117.51 123.65 1m4q h ILE 29 Ca -0.02 -1.49 -0.11 0.00 1.55 0.00 0.00 64.86 64.79 1m4q h ILE 29 Cb 0.29 1.47 -0.01 0.00 -0.27 0.00 0.00 36.82 38.29 1m4q h ILE 29 CO 0.03 0.47 -0.51 0.74 -1.05 0.00 0.00 178.15 177.84 1m4q h THR 30 N 0.49 1.36 0.16 0.16 2.02 0.13 1.36 112.91 118.59 1m4q h THR 30 Ca 0.05 -1.74 -0.23 0.00 0.77 0.00 0.00 66.41 65.26 1m4q h THR 30 Cb 0.84 1.91 0.02 0.00 -1.74 0.00 0.00 68.15 69.18 1m4q h THR 30 CO 0.07 0.50 -1.02 0.25 0.37 0.00 0.00 175.52 175.69 1m4q h LEU 31 N 0.06 0.52 0.01 2.58 5.85 -0.88 -3.36 115.31 120.08 1m4q h LEU 31 Ca -0.00 -0.93 -0.27 0.00 0.84 0.00 0.00 57.88 57.52 1m4q h LEU 31 Cb 0.91 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1m4q h LEU 31 CO 0.07 1.48 -1.47 1.88 -0.34 0.00 0.00 178.44 180.07 1m4q h TYR 32 N -0.28 0.02 -0.62 1.25 0.05 -1.24 -3.47 116.97 112.68 1m4q h TYR 32 Ca -0.19 -0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.42 1m4q h TYR 32 Cb 1.75 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.43 1m4q h TYR 32 CO 0.17 1.03 -0.14 0.36 -1.05 0.00 0.00 178.16 178.53 1m4q n LYS 33 N -3.17 -1.67 -0.01 4.88 2.85 0.47 -4.67 118.16 116.83 1m4q n LYS 33 Ca -0.11 0.64 0.00 0.00 -1.05 0.00 0.00 58.31 57.79 1m4q n LYS 33 Cb 1.01 -4.77 -0.02 0.00 -0.65 0.00 0.00 35.03 30.60 1m4q n LYS 33 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1m4q n ASP 34 N -0.36 4.37 -4.58 -5.58 5.68 -1.26 -4.97 116.55 109.85 1m4q n ASP 34 Ca -0.08 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.79 1m4q n ASP 34 Cb 0.44 0.88 -0.05 0.00 -1.14 0.00 0.00 41.12 41.25 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1m4q s LEU 35 N -3.63 4.15 -0.12 -2.12 1.02 -1.26 -3.55 118.68 113.17 1m4q s LEU 35 Ca -0.01 0.25 -0.18 0.00 0.02 0.00 0.00 54.13 54.20 1m4q s LEU 35 Cb 0.01 -3.01 -0.04 0.00 0.02 0.00 0.00 46.19 43.17 1m4q s LEU 35 CO 0.11 -0.77 0.49 -0.75 0.02 0.00 0.00 176.35 175.45 1m4q s LYS 36 N 3.14 4.33 0.10 1.70 2.20 0.80 -4.61 119.74 127.40 1m4q s LYS 36 Ca 0.31 0.47 -0.31 0.00 -0.36 0.00 0.00 55.97 56.07 1m4q s LYS 36 Cb -0.13 -3.45 -0.07 0.00 -1.51 0.00 0.00 37.83 32.67 1m4q s LYS 36 CO 0.18 0.12 1.36 -1.25 -0.36 0.00 0.00 175.35 175.41 1m4q s PRO 37 N 0.73 4.33 0.00 4.03 0.04 -1.26 -2.56 135.00 140.32 1m4q s PRO 37 Ca 0.26 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.34 1m4q s PRO 37 Cb -0.15 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 1m4q s PRO 37 CO 0.11 -0.42 -0.03 0.54 0.04 0.00 0.00 177.00 177.24 1m4q s VAL 38 N 1.16 0.24 0.47 -0.36 0.11 -0.13 -4.98 120.40 116.90 1m4q s VAL 38 Ca 0.64 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.51 1m4q s VAL 38 Cb -0.36 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1m4q s VAL 38 CO 0.30 0.02 0.69 -0.76 -3.33 0.00 0.00 175.10 172.02 1m4q s LEU 39 N -0.19 3.56 -0.29 2.54 1.43 -1.26 0.13 118.68 124.59 1m4q s LEU 39 Ca -0.00 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 1m4q s LEU 39 Cb -0.02 -3.03 0.12 0.00 0.03 0.00 0.00 46.19 43.29 1m4q s LEU 39 CO -0.00 -0.82 0.77 -0.62 0.23 0.00 0.00 176.35 175.91 1m4q s ASP 40 N -4.28 -0.88 -0.13 2.29 -1.08 -0.76 -4.79 116.67 107.05 1m4q s ASP 40 Ca 0.51 1.31 -0.27 0.00 -0.52 0.00 0.00 52.55 53.58 1m4q s ASP 40 Cb -0.10 1.68 -0.02 0.00 -1.46 0.00 0.00 42.92 43.03 1m4q s ASP 40 CO 0.37 -0.19 0.88 -0.55 0.52 0.00 0.00 175.17 176.20 1m4q s SER 41 N 2.10 7.07 -0.00 -0.34 0.15 -1.26 -3.09 113.70 118.32 1m4q s SER 41 Ca -0.08 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1m4q s SER 41 Cb -0.07 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1m4q s SER 41 CO -0.18 -0.37 -0.01 -0.47 1.20 0.00 0.00 173.24 173.40 1m4q s TYR 42 N 1.88 0.13 0.33 3.44 6.14 -1.12 -4.88 117.35 123.27 1m4q s TYR 42 Ca 0.42 -0.01 -0.13 0.00 0.64 0.00 0.00 57.07 57.99 1m4q s TYR 42 Cb -0.17 -0.11 -0.08 0.00 0.42 0.00 0.00 41.96 42.01 1m4q s TYR 42 CO 0.16 -0.02 0.71 0.14 0.64 0.00 0.00 175.55 177.18 1m4q s VAL 43 N 0.10 4.75 0.12 3.14 -7.23 -1.26 0.11 120.40 120.13 1m4q s VAL 43 Ca -0.01 0.77 0.00 0.00 -1.81 0.00 0.00 61.98 60.93 1m4q s VAL 43 Cb -0.02 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1m4q s VAL 43 CO -0.00 -0.25 0.00 0.49 -0.31 0.00 0.00 175.10 175.03 1m4q n PHE 44 N -0.56 -1.79 -1.51 2.82 3.72 -0.99 -4.74 117.46 114.41 1m4q n PHE 44 Ca 0.03 0.31 -0.13 0.00 -0.05 0.00 0.00 57.45 57.60 1m4q n PHE 44 Cb 0.53 0.99 -0.10 0.00 -0.94 0.00 0.00 39.48 39.96 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 -2.82 0.92 -1.89 4.37 3.02 -1.26 -2.96 115.26 114.64 1m4q n ASN 45 Ca 0.00 -1.76 -0.11 0.00 -0.03 0.00 0.00 54.58 52.68 1m4q n ASN 45 Cb 0.00 -1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 37.67 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 16.56 -3.16 -0.03 6.41 8.00 -1.26 -3.39 116.55 139.68 1m4q n ASP 46 Ca 0.43 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1m4q n ASP 46 Cb 0.42 -2.86 0.00 0.00 -0.02 0.00 0.00 41.12 38.66 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 -0.49 0.76 3.00 0.44 0.00 -1.16 -5.13 105.19 102.62 1m4q n GLY 47 Ca -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.38 -0.36 0.46 1.61 0.01 -1.22 -4.86 113.70 107.97 1m4q s SER 48 Ca 0.00 0.41 -0.21 0.00 1.31 0.00 0.00 55.95 57.46 1m4q s SER 48 Cb 0.00 1.50 -0.12 0.00 0.21 0.00 0.00 66.02 67.61 1m4q s SER 48 CO 0.00 -0.29 0.41 -1.54 0.41 0.00 0.00 173.24 172.23 1m4q n SER 49 N 5.39 -1.49 -3.84 2.44 3.41 -1.26 -2.34 113.62 115.93 1m4q n SER 49 Ca -0.02 0.82 -0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1m4q n SER 49 Cb 0.50 -1.07 -0.11 0.00 -0.26 0.00 0.00 64.21 63.28 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 -1.56 0.39 -0.30 4.33 3.52 0.30 -4.83 118.95 120.80 1m4q s ARG 50 Ca 0.63 -0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.83 1m4q s ARG 50 Cb -0.56 0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 32.99 1m4q s ARG 50 CO 0.59 -0.08 1.71 -1.21 -0.81 0.00 0.00 175.30 175.49 1m4q s GLU 51 N -0.78 3.51 -0.17 5.12 8.01 -1.26 -2.79 118.70 130.33 1m4q s GLU 51 Ca -0.09 1.47 -0.05 0.00 0.01 0.00 0.00 54.97 56.31 1m4q s GLU 51 Cb -0.05 -4.13 0.06 0.00 -4.31 0.00 0.00 34.13 25.70 1m4q s GLU 51 CO 0.01 -1.65 0.11 -0.51 0.01 0.00 0.00 175.26 173.24 1m4q s LEU 52 N 6.20 0.25 0.67 1.80 1.43 -1.18 -5.03 118.68 122.82 1m4q s LEU 52 Ca 0.76 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1m4q s LEU 52 Cb -0.23 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 1m4q s LEU 52 CO 0.32 -0.34 1.07 -0.32 0.23 0.00 0.00 176.35 177.31 1m4q s MET 53 N 2.18 3.15 0.26 1.70 1.75 -1.26 -1.82 119.30 125.25 1m4q s MET 53 Ca 0.03 0.59 -0.07 0.00 -1.25 0.00 0.00 55.69 54.98 1m4q s MET 53 Cb -0.16 -2.04 -0.01 0.00 2.84 0.00 0.00 34.83 35.46 1m4q s MET 53 CO -0.09 -0.85 0.39 0.54 -0.65 0.00 0.00 175.02 174.36 1m4q s ASN 54 N -4.27 0.22 -0.03 1.11 4.22 0.34 -1.25 114.94 115.28 1m4q s ASN 54 Ca 0.57 -1.18 0.02 0.00 -2.14 0.00 0.00 52.86 50.13 1m4q s ASN 54 Cb -0.11 0.55 0.01 0.00 1.28 0.00 0.00 41.25 42.98 1m4q s ASN 54 CO 0.53 -1.11 -0.07 -0.76 -2.04 0.00 0.00 177.10 173.65 1m4q s LEU 55 N -3.11 1.68 -0.03 3.54 1.43 0.47 -0.96 118.68 121.71 1m4q s LEU 55 Ca 0.28 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1m4q s LEU 55 Cb 0.01 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.76 1m4q s LEU 55 CO 0.13 0.03 0.15 0.28 0.23 0.00 0.00 176.35 177.17 1m4q s THR 56 N 0.37 0.04 0.00 5.49 -1.32 -1.06 -1.31 115.64 117.85 1m4q s THR 56 Ca -0.05 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 1m4q s THR 56 Cb -0.10 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 1m4q s THR 56 CO 0.00 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 1m4q n GLY 57 N 2.28 1.15 3.45 6.08 0.00 -0.86 -0.14 105.19 117.13 1m4q n GLY 57 Ca -0.17 -0.94 -0.44 0.00 0.00 0.00 0.00 46.02 44.47 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 4.93 -0.07 2.61 -4.23 -1.23 -2.11 115.64 113.54 1m4q s THR 58 Ca 0.00 -0.52 -0.15 0.00 -1.18 0.00 0.00 61.69 59.85 1m4q s THR 58 Cb 0.00 -4.26 -0.05 0.00 1.34 0.00 0.00 72.50 69.53 1m4q s THR 58 CO 0.00 -0.74 0.37 -0.51 -0.54 0.00 0.00 174.62 173.20 1m4q s ILE 59 N 2.49 5.15 -0.25 2.99 2.07 -0.54 -4.77 121.20 128.34 1m4q s ILE 59 Ca 0.14 0.75 -0.29 0.00 -1.41 0.00 0.00 60.65 59.84 1m4q s ILE 59 Cb -0.19 -3.69 -0.00 0.00 0.13 0.00 0.00 42.46 38.71 1m4q s ILE 59 CO 0.12 0.50 1.23 -2.16 -1.91 0.00 0.00 174.94 172.71 1m4q s PRO 60 N -0.44 4.08 -0.12 3.50 0.04 -1.26 -0.43 135.00 140.37 1m4q s PRO 60 Ca 0.22 1.37 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1m4q s PRO 60 Cb -0.15 -3.80 0.01 0.00 0.04 0.00 0.00 34.50 30.60 1m4q s PRO 60 CO 0.10 -0.90 -0.22 0.08 0.04 0.00 0.00 177.00 176.09 1m4q s VAL 61 N 3.86 2.09 0.30 -0.36 1.01 0.21 -4.90 120.40 122.61 1m4q s VAL 61 Ca 0.53 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1m4q s VAL 61 Cb -0.17 -1.82 -0.10 0.00 0.00 0.00 0.00 36.38 34.29 1m4q s VAL 61 CO 0.17 0.55 1.16 -2.16 0.00 0.00 0.00 175.10 174.82 1m4q s PRO 62 N 0.63 4.56 -0.26 2.72 0.04 -1.26 -0.77 135.00 140.66 1m4q s PRO 62 Ca -0.12 1.92 0.10 0.00 0.04 0.00 0.00 61.00 62.95 1m4q s PRO 62 Cb -0.16 -3.15 0.47 0.00 0.04 0.00 0.00 34.50 31.70 1m4q s PRO 62 CO 0.02 0.10 1.38 0.98 0.04 0.00 0.00 177.00 179.52 1m4q n TYR 63 N 1.07 0.70 -2.06 0.56 9.36 -0.93 -4.23 117.16 121.64 1m4q n TYR 63 Ca -0.01 -1.54 -0.10 0.00 3.32 0.00 0.00 57.90 59.57 1m4q n TYR 63 Cb 0.44 -0.40 -0.01 0.00 -0.63 0.00 0.00 39.34 38.74 1m4q n TYR 63 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1m4q n ARG 64 N -1.12 -0.81 0.00 2.98 0.63 -1.26 -4.50 116.66 112.58 1m4q n ARG 64 Ca 0.28 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1m4q n ARG 64 Cb 0.91 -4.61 0.00 0.00 0.45 0.00 0.00 32.46 29.21 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1m4q n GLY 65 N -1.12 0.17 2.91 5.14 0.00 -1.26 -5.13 105.19 105.91 1m4q n GLY 65 Ca -0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1m4q n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m4q s ASN 66 N 0.00 0.12 -0.39 1.61 4.22 -1.26 -5.12 114.94 114.11 1m4q s ASN 66 Ca 0.00 0.34 -0.27 0.00 -2.14 0.00 0.00 52.86 50.79 1m4q s ASN 66 Cb 0.00 0.25 0.02 0.00 1.28 0.00 0.00 41.25 42.80 1m4q s ASN 66 CO 0.00 -0.18 0.98 -0.89 -2.04 0.00 0.00 177.10 174.98 1m4q s THR 67 N 1.52 4.49 0.37 0.54 2.01 -1.26 -2.19 115.64 121.12 1m4q s THR 67 Ca -0.06 1.22 0.04 0.00 0.31 0.00 0.00 61.69 63.20 1m4q s THR 67 Cb -0.12 -4.41 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 1m4q s THR 67 CO -0.06 -0.65 0.54 -0.31 -0.69 0.00 0.00 174.62 173.45 1m4q s TYR 68 N 3.70 3.17 -0.83 4.92 1.51 0.05 -4.73 117.35 125.14 1m4q s TYR 68 Ca 0.41 -0.05 -0.15 0.00 -1.01 0.00 0.00 57.07 56.27 1m4q s TYR 68 Cb -0.11 -2.09 0.20 0.00 -0.11 0.00 0.00 41.96 39.85 1m4q s TYR 68 CO 0.21 -0.12 0.81 -0.80 -1.11 0.00 0.00 175.55 174.54 1m4q s ASN 69 N -4.18 6.72 -0.01 2.29 0.01 -1.26 0.67 114.94 119.18 1m4q s ASN 69 Ca 0.46 -2.56 -0.30 0.00 -0.71 0.00 0.00 52.86 49.74 1m4q s ASN 69 Cb -0.10 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1m4q s ASN 69 CO 0.33 -0.65 1.12 -0.51 -1.51 0.00 0.00 177.10 175.88 1m4q s ILE 70 N 0.57 4.41 0.39 0.60 1.10 0.42 -4.66 121.20 124.04 1m4q s ILE 70 Ca 0.19 1.73 -0.24 0.00 -0.51 0.00 0.00 60.65 61.81 1m4q s ILE 70 Cb -0.10 -4.11 -0.09 0.00 0.15 0.00 0.00 42.46 38.31 1m4q s ILE 70 CO -0.08 0.07 1.07 -2.16 -2.11 0.00 0.00 174.94 171.73 1m4q s PRO 71 N 1.55 4.16 0.02 3.50 0.04 -1.26 -1.47 135.00 141.54 1m4q s PRO 71 Ca 0.55 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 1m4q s PRO 71 Cb -0.24 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 31.72 1m4q s PRO 71 CO 0.25 -0.16 0.25 0.42 0.04 0.00 0.00 177.00 177.80 1m4q s ILE 72 N -1.59 0.08 -0.28 0.56 1.09 -0.90 -3.98 121.20 116.18 1m4q s ILE 72 Ca 0.57 -0.68 -0.04 0.00 -1.10 0.00 0.00 60.65 59.40 1m4q s ILE 72 Cb -0.24 -0.76 0.16 0.00 -1.06 0.00 0.00 42.46 40.56 1m4q s ILE 72 CO 0.30 -0.38 0.56 0.00 -0.10 0.00 0.00 174.94 175.32 1m4q s LEU 74 N 2.80 2.21 0.00 0.00 2.34 -0.43 -1.50 118.68 124.10 1m4q s LEU 74 Ca 0.12 -0.43 -0.17 0.00 0.06 0.00 0.00 54.13 53.71 1m4q s LEU 74 Cb -0.14 0.07 0.24 0.00 -0.56 0.00 0.00 46.19 45.80 1m4q s LEU 74 CO -0.19 -0.25 1.30 0.79 -1.06 0.00 0.00 176.35 176.93 1m4q n TRP 75 N 1.81 -3.98 -3.45 3.48 7.02 -1.16 -0.39 117.44 120.76 1m4q n TRP 75 Ca -0.22 -1.15 -0.19 0.00 -1.02 0.00 0.00 57.50 54.92 1m4q n TRP 75 Cb 0.56 -1.05 -0.12 0.00 -2.42 0.00 0.00 31.31 28.29 1m4q n TRP 75 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1m4q s LEU 76 N 0.00 -0.11 0.87 -0.99 2.96 -0.38 -4.74 118.68 116.29 1m4q s LEU 76 Ca 0.75 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.98 1m4q s LEU 76 Cb -0.03 0.38 0.11 0.00 0.50 0.00 0.00 46.19 47.15 1m4q s LEU 76 CO 0.53 -0.37 1.09 -1.48 -1.32 0.00 0.00 176.35 174.81 1m4q s LEU 77 N 2.32 2.39 0.06 -0.68 0.05 -1.26 -4.32 118.68 117.24 1m4q s LEU 77 Ca 0.08 1.50 -0.29 0.00 0.05 0.00 0.00 54.13 55.47 1m4q s LEU 77 Cb -0.15 -3.98 -0.18 0.00 -2.05 0.00 0.00 46.19 39.84 1m4q s LEU 77 CO -0.24 -2.48 1.54 0.44 -0.55 0.00 0.00 176.35 175.05 1m4q h ASP 78 N -1.44 -0.54 0.00 1.48 5.19 -1.99 -3.45 116.42 115.67 1m4q h ASP 78 Ca -0.48 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1m4q h ASP 78 Cb 1.28 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1m4q h ASP 78 CO 0.55 -0.32 0.00 1.07 -3.12 0.00 0.00 179.24 177.42 1m4q n THR 79 N -5.33 0.00 -3.57 0.35 5.66 -1.26 -4.50 114.28 105.63 1m4q n THR 79 Ca -0.11 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.80 1m4q n THR 79 Cb 0.29 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.03 1m4q n THR 79 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1m4q s TYR 80 N 0.00 -0.31 0.09 1.09 1.13 -1.26 -4.79 117.35 113.30 1m4q s TYR 80 Ca 0.00 0.42 -0.06 0.00 -1.41 0.00 0.00 57.07 56.02 1m4q s TYR 80 Cb 0.00 0.48 -0.22 0.00 -1.10 0.00 0.00 41.96 41.12 1m4q s TYR 80 CO 0.00 -0.35 1.19 -1.00 -2.51 0.00 0.00 175.55 172.88 1m4q h PRO 81 N 2.32 0.37 -1.06 -3.49 0.13 -2.02 -3.44 132.00 124.82 1m4q h PRO 81 Ca -0.17 -0.52 -0.17 0.00 -0.87 0.00 0.00 66.00 64.28 1m4q h PRO 81 Cb 1.18 0.18 -0.17 0.00 0.13 0.00 0.00 31.00 32.32 1m4q h PRO 81 CO 0.29 1.21 -0.51 -0.47 -0.23 0.00 0.00 178.00 178.29 1m4q s TYR 82 N -2.90 -1.51 0.44 1.56 5.04 -1.26 -5.12 117.35 113.59 1m4q s TYR 82 Ca -0.05 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.95 1m4q s TYR 82 Cb 0.07 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.65 1m4q s TYR 82 CO 0.89 -1.26 0.00 -1.71 -1.34 0.00 0.00 175.55 172.13 1m4q n ASN 83 N 2.97 -7.18 -4.57 4.32 2.85 -1.26 -4.70 115.26 107.70 1m4q n ASN 83 Ca 0.18 1.09 -0.43 0.00 -0.11 0.00 0.00 54.58 55.31 1m4q n ASN 83 Cb 0.56 -3.78 -0.04 0.00 1.24 0.00 0.00 39.78 37.76 1m4q n ASN 83 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1m4q n PRO 84 N -1.12 1.66 0.15 1.20 -0.04 -1.26 -4.84 135.00 130.75 1m4q n PRO 84 Ca 0.00 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.91 1m4q n PRO 84 Cb 0.05 -3.13 0.04 0.00 -0.04 0.00 0.00 33.50 30.42 1m4q n PRO 84 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1m4q h PRO 85 N 15.37 0.00 -6.12 0.54 0.13 -1.91 -3.45 132.00 136.55 1m4q h PRO 85 Ca -0.36 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.19 1m4q h PRO 85 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1m4q h PRO 85 CO 1.00 0.37 1.38 0.42 -0.23 0.00 0.00 178.00 180.95 1m4q s ILE 86 N -3.02 3.21 -0.09 -3.56 -1.09 -1.26 -4.95 121.20 110.44 1m4q s ILE 86 Ca 0.04 0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.63 1m4q s ILE 86 Cb 0.07 -3.26 0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1m4q s ILE 86 CO 0.74 -0.16 0.20 0.00 -1.23 0.00 0.00 174.94 174.49 1m4q s PHE 88 N 1.38 -0.02 0.07 0.00 -0.12 -0.56 -1.06 117.98 117.67 1m4q s PHE 88 Ca -0.08 -0.04 -0.08 0.00 -0.05 0.00 0.00 56.93 56.69 1m4q s PHE 88 Cb -0.11 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.22 1m4q s PHE 88 CO -0.07 -0.33 0.36 0.54 -0.05 0.00 0.00 175.22 175.67 1m4q s VAL 89 N -1.48 5.16 -0.50 -2.49 0.11 -0.64 -0.72 120.40 119.85 1m4q s VAL 89 Ca -0.14 0.30 -0.18 0.00 -2.93 0.00 0.00 61.98 59.04 1m4q s VAL 89 Cb -0.06 -3.62 0.07 0.00 -1.53 0.00 0.00 36.38 31.24 1m4q s VAL 89 CO 0.02 0.26 0.54 -0.54 -3.33 0.00 0.00 175.10 172.05 1m4q s LYS 90 N -2.00 3.05 -0.15 1.54 -0.14 -1.26 -4.71 119.74 116.08 1m4q s LYS 90 Ca 0.33 -1.14 -0.23 0.00 -1.36 0.00 0.00 55.97 53.57 1m4q s LYS 90 Cb -0.13 -4.13 -0.02 0.00 -1.68 0.00 0.00 37.83 31.86 1m4q s LYS 90 CO 0.19 -1.18 0.72 -1.25 -0.76 0.00 0.00 175.35 173.07 1m4q s PRO 91 N 2.20 4.31 0.75 -1.68 0.04 -1.26 -4.69 135.00 134.66 1m4q s PRO 91 Ca 0.10 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 1m4q s PRO 91 Cb -0.22 -3.54 0.04 0.00 0.04 0.00 0.00 34.50 30.82 1m4q s PRO 91 CO 0.09 -0.18 1.10 0.95 0.04 0.00 0.00 177.00 179.00 1m4q s THR 92 N 1.66 3.29 0.62 1.26 -4.23 -1.26 -4.86 115.64 112.12 1m4q s THR 92 Ca 0.35 0.42 0.30 0.00 -1.18 0.00 0.00 61.69 61.58 1m4q s THR 92 Cb -0.17 -3.30 0.35 0.00 1.34 0.00 0.00 72.50 70.73 1m4q s THR 92 CO 0.13 -0.55 2.00 0.28 -0.54 0.00 0.00 174.62 175.95 1m4q h SER 93 N -0.86 0.00 -0.31 3.99 0.02 -2.06 0.32 113.55 114.64 1m4q h SER 93 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1m4q h SER 93 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1m4q h SER 93 CO 0.62 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 175.11 1m4q n SER 94 N -3.42 2.97 -4.94 3.07 7.64 -1.26 -4.99 113.62 112.68 1m4q n SER 94 Ca 0.02 -1.87 -0.24 0.00 1.01 0.00 0.00 58.87 57.79 1m4q n SER 94 Cb 0.43 -0.20 0.00 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 -1.16 3.30 -0.09 1.43 0.00 0.11 -1.53 119.30 121.37 1m4q s MET 95 Ca 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 55.69 55.63 1m4q s MET 95 Cb 0.16 -2.57 0.03 0.00 0.00 0.00 0.00 34.83 32.45 1m4q s MET 95 CO 0.22 -0.09 0.02 0.99 0.00 0.00 0.00 175.02 176.16 1m4q s THR 96 N -2.49 0.27 0.30 10.11 2.01 -0.14 -4.76 115.64 120.94 1m4q s THR 96 Ca 0.45 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 1m4q s THR 96 Cb -0.10 -0.52 -0.10 0.00 0.01 0.00 0.00 72.50 71.80 1m4q s THR 96 CO 0.38 0.16 1.20 -0.63 -0.69 0.00 0.00 174.62 175.04 1m4q s ILE 97 N 2.01 3.12 -0.36 1.82 1.01 -1.26 -0.14 121.20 127.39 1m4q s ILE 97 Ca 0.04 1.13 -0.11 0.00 0.00 0.00 0.00 60.65 61.71 1m4q s ILE 97 Cb -0.13 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1m4q s ILE 97 CO -0.05 0.27 0.21 -0.75 0.00 0.00 0.00 174.94 174.62 1m4q s LYS 98 N -1.61 3.00 0.50 2.79 2.36 0.18 -4.84 119.74 122.10 1m4q s LYS 98 Ca 0.47 -0.97 -0.21 0.00 -2.55 0.00 0.00 55.97 52.71 1m4q s LYS 98 Cb -0.36 -3.73 -0.07 0.00 -1.05 0.00 0.00 37.83 32.62 1m4q s LYS 98 CO 0.47 -0.63 1.13 0.95 1.55 0.00 0.00 175.35 178.81 1m4q s THR 99 N 1.59 3.25 -5.00 3.43 -4.23 -1.26 -4.33 115.64 109.10 1m4q s THR 99 Ca 0.03 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1m4q s THR 99 Cb -0.19 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1m4q s THR 99 CO 0.07 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1m4q n GLY 100 N 0.23 -0.82 0.34 3.99 0.00 0.32 -4.84 105.19 104.41 1m4q n GLY 100 Ca 0.09 -1.46 0.18 0.00 0.00 0.00 0.00 46.02 44.84 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 2.43 0.00 0.00 1.61 1.57 -1.99 0.14 116.57 120.33 1m4q h LYS 101 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 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 -1.19 0.72 -0.57 0.00 0.00 179.45 178.41 1m4q n HIS 102 N -3.02 0.83 -3.66 -1.35 8.25 -1.26 -3.61 115.22 111.40 1m4q n HIS 102 Ca -0.02 0.25 -0.14 0.00 -0.26 0.00 0.00 57.72 57.54 1m4q n HIS 102 Cb 0.27 -0.91 -0.08 0.00 1.12 0.00 0.00 29.99 30.38 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 -3.34 0.00 -0.04 1.59 1.01 0.47 -2.74 120.40 117.35 1m4q s VAL 103 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1m4q s VAL 103 Cb 0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1m4q s VAL 103 CO 0.81 -0.02 -0.03 0.44 0.00 0.00 0.00 175.10 176.30 1m4q h ASP 104 N 4.86 0.00 0.00 3.32 3.32 -1.76 0.93 116.42 127.08 1m4q h ASP 104 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1m4q h ASP 104 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1m4q h ASP 104 CO 0.19 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 1m4q n ALA 105 N -2.51 0.00 -1.02 3.45 0.00 -1.26 -4.51 120.51 114.65 1m4q n ALA 105 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1m4q n ALA 105 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1m4q n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1m4q n ASN 106 N 0.00 0.00 0.00 0.00 2.85 -1.26 -5.01 115.26 111.84 1m4q n ASN 106 Ca 0.00 -1.00 0.00 0.00 -0.11 0.00 0.00 54.58 53.47 1m4q n ASN 106 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m4q n GLY 107 N 0.00 3.04 3.77 8.20 0.00 -1.26 -4.94 105.19 114.00 1m4q n GLY 107 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.29 3.22 0.04 1.61 -2.85 -1.26 -1.62 119.74 118.59 1m4q s LYS 108 Ca 0.00 1.54 -0.29 0.00 -1.00 0.00 0.00 55.97 56.23 1m4q s LYS 108 Cb 0.00 -1.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.73 1m4q s LYS 108 CO 0.00 -0.95 0.92 0.42 0.10 0.00 0.00 175.35 175.84 1m4q s ILE 109 N -1.93 4.72 -0.24 3.79 1.01 -0.23 -4.37 121.20 123.95 1m4q s ILE 109 Ca 0.71 1.96 -0.11 0.00 0.00 0.00 0.00 60.65 63.21 1m4q s ILE 109 Cb -0.23 -4.27 -0.17 0.00 0.01 0.00 0.00 42.46 37.81 1m4q s ILE 109 CO 0.31 0.26 -0.11 0.00 0.00 0.00 0.00 174.94 175.40 1m4q n TYR 110 N 3.31 0.39 -1.52 3.97 9.36 -1.11 -4.85 117.16 126.70 1m4q n TYR 110 Ca 0.03 0.13 -0.46 0.00 3.32 0.00 0.00 57.90 60.92 1m4q n TYR 110 Cb 0.50 -1.04 -0.05 0.00 -0.63 0.00 0.00 39.34 38.12 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 -3.94 2.59 -3.75 2.98 4.77 -1.24 -4.85 117.00 113.56 1m4q n LEU 111 Ca -0.45 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 1m4q n LEU 111 Cb 0.89 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1m4q n LEU 111 CO 0.17 -0.80 2.53 -0.81 -1.33 0.00 0.00 177.39 177.15 1m4q n PRO 112 N 8.54 3.08 -0.34 3.23 -0.04 -1.26 -4.77 135.00 143.44 1m4q n PRO 112 Ca 0.37 -2.82 0.21 0.00 -0.04 0.00 0.00 63.50 61.21 1m4q n PRO 112 Cb 0.35 -3.18 0.45 0.00 -0.04 0.00 0.00 33.50 31.08 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 5.89 0.84 -0.14 0.54 0.05 -1.99 -0.22 116.97 121.95 1m4q h TYR 113 Ca 0.54 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 59.22 1m4q h TYR 113 Cb 0.62 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1m4q h TYR 113 CO 1.42 0.03 -0.39 1.25 -1.05 0.00 0.00 178.16 179.42 1m4q h LEU 114 N 0.46 0.59 -0.27 3.88 6.46 -1.98 -2.83 115.31 121.63 1m4q h LEU 114 Ca 0.64 -0.59 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1m4q h LEU 114 Cb 1.44 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1m4q h LEU 114 CO -0.41 1.07 0.00 1.57 -0.62 0.00 0.00 178.44 180.05 1m4q n HIS 115 N -4.30 0.17 -0.10 1.25 -0.00 -0.15 -2.12 115.22 109.97 1m4q n HIS 115 Ca -0.07 0.08 -0.18 0.00 0.46 0.00 0.00 57.72 58.01 1m4q n HIS 115 Cb 0.53 -0.63 -0.07 0.00 -0.12 0.00 0.00 29.99 29.70 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 -1.67 0.54 0.00 1.57 2.13 -0.88 -4.82 120.64 117.51 1m4q n GLU 116 Ca 0.01 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1m4q n GLU 116 Cb 0.07 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.16 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 -4.43 0.00 -4.07 4.31 -0.00 -1.08 -4.92 117.44 107.25 1m4q n TRP 117 Ca -0.29 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 56.90 1m4q n TRP 117 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.89 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 -0.49 -1.90 -0.03 5.87 2.85 -0.90 -4.88 118.16 118.68 1m4q n LYS 118 Ca 0.00 0.26 -0.17 0.00 -1.05 0.00 0.00 58.31 57.35 1m4q n LYS 118 Cb 0.00 -3.91 -0.07 0.00 -0.65 0.00 0.00 35.03 30.40 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 -1.93 1.07 0.31 5.58 2.76 -1.91 -3.47 115.15 117.55 1m4q h HIS 119 Ca -0.66 -0.45 -0.01 0.00 -2.20 0.00 0.00 60.37 57.05 1m4q h HIS 119 Cb 1.39 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.18 1m4q h HIS 119 CO 0.47 1.29 -0.15 -1.00 -1.30 0.00 0.00 177.93 177.24 1m4q h PRO 120 N 0.54 -0.40 0.00 5.26 0.13 -2.01 -3.50 132.00 132.03 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 1.35 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1m4q h PRO 120 CO 0.15 -0.26 0.00 1.04 -0.23 0.00 0.00 178.00 178.70 1m4q n GLN 121 N -4.76 0.00 -2.75 0.86 3.00 -1.26 -4.85 117.38 107.62 1m4q n GLN 121 Ca -0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 1m4q n GLN 121 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.37 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 6.85 0.76 1.08 0.15 -1.26 -5.02 113.70 116.27 1m4q s SER 122 Ca 0.00 0.94 -0.02 0.00 0.70 0.00 0.00 55.95 57.57 1m4q s SER 122 Cb 0.00 -2.49 0.15 0.00 -1.71 0.00 0.00 66.02 61.97 1m4q s SER 122 CO 0.00 -0.77 1.03 -0.67 1.20 0.00 0.00 173.24 174.03 1m4q n ASP 123 N 6.58 1.26 -0.35 5.45 -0.08 -1.26 -4.76 116.55 123.38 1m4q n ASP 123 Ca 0.09 -2.09 0.24 0.00 -1.51 0.00 0.00 54.79 51.52 1m4q n ASP 123 Cb 0.47 -0.68 0.49 0.00 2.34 0.00 0.00 41.12 43.74 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 0.50 -0.43 -2.67 5.85 -1.96 0.54 115.31 117.13 1m4q h LEU 124 Ca -0.34 0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.41 1m4q h LEU 124 Cb 1.22 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1m4q h LEU 124 CO 0.35 -0.06 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.09 1m4q h LEU 125 N 0.35 0.95 -1.28 2.25 4.07 -1.92 -2.96 115.31 116.77 1m4q h LEU 125 Ca 0.71 -0.41 -0.07 0.00 0.08 0.00 0.00 57.88 58.19 1m4q h LEU 125 Cb 1.68 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 43.15 1m4q h LEU 125 CO -0.50 1.15 -0.34 1.23 -1.08 0.00 0.00 178.44 178.90 1m4q h GLY 126 N 0.75 0.00 0.67 0.83 0.00 -0.35 -2.91 103.07 102.06 1m4q h GLY 126 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1m4q h GLY 126 CO 0.07 0.00 -0.42 -2.00 0.00 0.00 0.00 176.54 174.19 1m4q h LEU 127 N 0.00 -1.06 -1.80 3.11 6.46 -0.83 -2.42 115.31 118.78 1m4q h LEU 127 Ca -0.00 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1m4q h LEU 127 Cb 0.67 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1m4q h LEU 127 CO 0.04 -0.64 0.26 0.40 -0.62 0.00 0.00 178.44 177.88 1m4q h ILE 128 N -1.02 0.94 -0.65 4.05 5.03 -1.58 -1.81 117.51 122.46 1m4q h ILE 128 Ca -0.09 -0.09 0.06 0.00 -0.12 0.00 0.00 64.86 64.63 1m4q h ILE 128 Cb 0.82 0.67 -0.06 0.00 -3.03 0.00 0.00 36.82 35.22 1m4q h ILE 128 CO 0.09 0.05 0.35 -0.61 -0.68 0.00 0.00 178.15 177.35 1m4q h GLN 129 N 0.25 0.64 -0.11 2.37 4.15 -1.25 0.17 115.11 121.33 1m4q h GLN 129 Ca 0.17 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1m4q h GLN 129 Cb 0.35 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1m4q h GLN 129 CO -0.03 0.42 0.03 0.28 -1.93 0.00 0.00 178.83 177.60 1m4q h VAL 130 N 0.66 1.19 -0.46 2.39 2.07 -0.86 -0.44 116.25 120.79 1m4q h VAL 130 Ca 0.29 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1m4q h VAL 130 Cb 0.19 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1m4q h VAL 130 CO -0.19 0.17 0.31 -0.03 0.02 0.00 0.00 177.57 177.85 1m4q h MET 131 N -0.03 0.46 -0.26 1.57 1.85 -1.28 0.37 114.93 117.60 1m4q h MET 131 Ca 0.03 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 59.02 1m4q h MET 131 Cb 0.24 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 1m4q h MET 131 CO 0.00 0.30 -0.12 0.82 -0.40 0.00 0.00 176.91 177.51 1m4q h ILE 132 N 0.47 1.30 0.08 1.77 2.04 -0.23 0.23 117.51 123.17 1m4q h ILE 132 Ca 0.19 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1m4q h ILE 132 Cb 0.17 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1m4q h ILE 132 CO -0.05 0.38 -0.04 0.58 0.00 0.00 0.00 178.15 179.02 1m4q h VAL 133 N 0.28 1.11 -0.21 1.67 2.07 -0.01 0.19 116.25 121.35 1m4q h VAL 133 Ca 0.06 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1m4q h VAL 133 Cb 0.63 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1m4q h VAL 133 CO 0.04 0.17 0.11 0.58 0.02 0.00 0.00 177.57 178.49 1m4q h VAL 134 N -0.42 1.00 -0.47 2.57 2.07 -0.34 -2.43 116.25 118.24 1m4q h VAL 134 Ca -0.01 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1m4q h VAL 134 Cb 0.36 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1m4q h VAL 134 CO 0.02 0.04 0.09 -0.26 0.02 0.00 0.00 177.57 177.48 1m4q h PHE 135 N 0.24 0.74 0.00 1.57 -1.00 -0.53 -2.03 116.94 115.93 1m4q h PHE 135 Ca 0.09 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1m4q h PHE 135 Cb 0.01 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.35 1m4q h PHE 135 CO -0.09 0.65 -0.09 0.78 -1.61 0.00 0.00 178.31 177.95 1m4q h GLY 136 N 0.91 0.00 0.97 -1.45 0.00 -0.48 -1.91 103.07 101.11 1m4q h GLY 136 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 1m4q h GLY 136 CO 0.00 0.00 -1.07 1.22 0.00 0.00 0.00 176.54 176.69 1m4q n ASP 137 N -3.71 0.83 -3.69 0.19 8.00 -0.81 -4.35 116.55 113.02 1m4q n ASP 137 Ca -0.02 0.33 -0.12 0.00 0.71 0.00 0.00 54.79 55.68 1m4q n ASP 137 Cb 0.19 0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 41.66 1m4q n ASP 137 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1m4q s GLU 138 N -3.32 0.60 -0.48 -1.24 2.02 -0.72 -5.09 118.70 110.47 1m4q s GLU 138 Ca -0.01 0.80 -0.28 0.00 0.02 0.00 0.00 54.97 55.49 1m4q s GLU 138 Cb 0.10 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.60 1m4q s GLU 138 CO 0.80 -0.09 1.11 -1.25 0.02 0.00 0.00 175.26 175.85 1m4q s PRO 139 N 0.56 3.68 0.45 0.39 0.04 -1.25 -4.22 135.00 134.64 1m4q s PRO 139 Ca -0.02 0.48 0.23 0.00 0.04 0.00 0.00 61.00 61.73 1m4q s PRO 139 Cb -0.04 -3.92 1.05 0.00 0.04 0.00 0.00 34.50 31.63 1m4q s PRO 139 CO -0.03 -1.39 1.90 -1.00 0.04 0.00 0.00 177.00 176.53 1m4q h PRO 140 N 9.24 0.00 -1.42 0.56 0.13 -1.90 -3.41 132.00 135.19 1m4q h PRO 140 Ca -0.23 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 1m4q h PRO 140 Cb 1.06 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.94 1m4q h PRO 140 CO 1.12 0.23 -0.48 0.54 -0.23 0.00 0.00 178.00 179.18 1m4q s VAL 141 N -3.91 -0.77 -0.09 1.56 0.11 -1.26 -0.65 120.40 115.38 1m4q s VAL 141 Ca -0.01 -0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 58.71 1m4q s VAL 141 Cb 0.12 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1m4q s VAL 141 CO 0.64 -0.18 0.33 0.72 -3.33 0.00 0.00 175.10 173.28 1m4q s PHE 142 N 2.59 3.58 0.65 1.54 -0.71 0.80 -4.71 117.98 121.73 1m4q s PHE 142 Ca 0.10 0.76 -0.05 0.00 -1.04 0.00 0.00 56.93 56.70 1m4q s PHE 142 Cb -0.11 -2.29 0.04 0.00 -1.21 0.00 0.00 43.02 39.45 1m4q s PHE 142 CO -0.27 0.44 0.95 0.45 -1.34 0.00 0.00 175.22 175.45 1m4q s SER 143 N -0.25 5.06 0.31 1.98 0.15 -1.26 -0.96 113.70 118.73 1m4q s SER 143 Ca 0.20 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1m4q s SER 143 Cb -0.14 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1m4q s SER 143 CO 0.08 -1.41 0.00 0.54 1.20 0.00 0.00 173.24 173.65 1m4q n ARG 144 N -2.76 -2.40 0.00 5.44 1.74 -0.58 -4.80 116.66 113.30 1m4q n ARG 144 Ca 0.07 1.83 0.09 0.00 -0.77 0.00 0.00 57.85 59.07 1m4q n ARG 144 Cb 0.60 -2.17 0.54 0.00 -1.02 0.00 0.00 32.46 30.40 1m4q n ARG 144 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76