#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 1.33 0.39 0.00 3.14 -1.26 -4.08 118.33 117.86 1m4q n VAL 3 Ca 0.00 -0.77 0.13 0.00 -2.96 0.00 0.00 64.34 60.74 1m4q n VAL 3 Cb 0.00 -0.72 0.33 0.00 -1.06 0.00 0.00 33.84 32.39 1m4q n VAL 3 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1m4q h SER 4 N 0.00 0.00 -0.63 6.55 0.87 -2.03 -3.30 113.55 115.01 1m4q h SER 4 Ca -0.31 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.36 1m4q h SER 4 Cb 1.91 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.78 1m4q h SER 4 CO 0.05 0.00 0.19 -0.08 -0.53 0.00 0.00 176.83 176.46 1m4q h GLU 5 N 0.00 0.33 -0.21 2.24 4.22 -1.99 0.89 114.58 120.05 1m4q h GLU 5 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1m4q h GLU 5 Cb 0.81 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1m4q h GLU 5 CO 0.00 0.22 0.13 1.03 -2.18 0.00 0.00 179.01 178.21 1m4q h SER 6 N 0.34 0.22 0.75 1.04 0.87 -1.82 -2.18 113.55 112.77 1m4q h SER 6 Ca 0.33 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 1m4q h SER 6 Cb 0.47 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1m4q h SER 6 CO -0.37 0.16 -0.32 -0.61 -0.53 0.00 0.00 176.83 175.16 1m4q h GLN 7 N 0.27 0.00 -0.68 2.24 5.75 -1.47 -3.08 115.11 118.14 1m4q h GLN 7 Ca 0.08 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1m4q h GLN 7 Cb -0.02 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 1m4q h GLN 7 CO -0.02 0.32 0.44 1.25 -2.65 0.00 0.00 178.83 178.16 1m4q h LEU 8 N 0.00 0.73 -0.47 -2.39 5.85 0.14 -0.87 115.31 118.30 1m4q h LEU 8 Ca -0.00 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1m4q h LEU 8 Cb 0.78 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1m4q h LEU 8 CO 0.04 0.52 0.14 0.50 -0.34 0.00 0.00 178.44 179.30 1m4q h LYS 9 N 0.87 0.28 0.00 1.25 3.64 -1.42 0.80 116.57 122.00 1m4q h LYS 9 Ca 0.26 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1m4q h LYS 9 Cb -0.04 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1m4q h LYS 9 CO -0.08 0.19 0.00 0.87 -2.27 0.00 0.00 179.45 178.16 1m4q h LYS 10 N 0.29 0.00 0.00 1.90 1.57 -1.57 -2.83 116.57 115.93 1m4q h LYS 10 Ca 0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1m4q h LYS 10 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1m4q h LYS 10 CO -0.26 0.00 -0.03 1.98 -0.57 0.00 0.00 179.45 180.57 1m4q h MET 11 N 0.00 0.00 0.00 3.15 4.05 0.60 -3.36 114.93 119.37 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 0.55 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1m4q h MET 11 CO 0.00 0.03 0.00 1.33 0.23 0.00 0.00 176.91 178.50 1m4q n VAL 12 N -3.36 0.00 0.00 -5.77 0.24 -1.07 -4.94 118.33 103.43 1m4q n VAL 12 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1m4q n VAL 12 Cb 0.14 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 1m4q n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4q n SER 13 N -1.04 0.00 0.00 -1.34 2.88 -1.21 -4.51 113.62 108.41 1m4q n SER 13 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 1m4q n SER 13 Cb 0.00 0.00 0.88 0.00 -0.75 0.00 0.00 64.21 64.34 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1m4q n LYS 14 N 0.00 0.84 -2.30 -1.46 4.01 -1.26 -4.84 118.16 113.14 1m4q n LYS 14 Ca 0.00 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.40 1m4q n LYS 14 Cb 0.00 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 32.99 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1m4q s TYR 15 N -2.14 3.33 0.54 2.13 1.51 -1.26 -4.90 117.35 116.56 1m4q s TYR 15 Ca 0.42 1.51 0.20 0.00 -1.01 0.00 0.00 57.07 58.20 1m4q s TYR 15 Cb 0.21 -3.48 1.44 0.00 -0.11 0.00 0.00 41.96 40.02 1m4q s TYR 15 CO 0.38 -1.25 2.17 -0.22 -1.11 0.00 0.00 175.55 175.52 1m4q h LYS 16 N 4.01 0.00 -2.03 -0.62 1.63 -1.87 -3.18 116.57 114.51 1m4q h LYS 16 Ca -0.47 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.78 1m4q h LYS 16 Cb 1.22 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.45 1m4q h LYS 16 CO 0.68 0.00 -1.06 0.66 -3.45 0.00 0.00 179.45 176.28 1m4q n TYR 17 N -4.33 0.29 -0.14 1.91 4.02 -1.26 -4.99 117.16 112.67 1m4q n TYR 17 Ca -0.02 -3.69 -0.09 0.00 -0.01 0.00 0.00 57.90 54.08 1m4q n TYR 17 Cb 0.11 -0.39 -0.04 0.00 -0.02 0.00 0.00 39.34 39.00 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 3.76 -0.29 0.33 -0.72 3.08 -1.89 1.07 114.38 119.73 1m4q h ARG 18 Ca 0.09 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1m4q h ARG 18 Cb 0.87 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1m4q h ARG 18 CO 0.52 -0.19 -0.16 0.22 -1.07 0.00 0.00 179.97 179.28 1m4q h ASP 19 N -0.30 -0.39 0.27 7.04 1.82 -1.94 0.37 116.42 123.30 1m4q h ASP 19 Ca 0.15 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 1m4q h ASP 19 Cb 0.57 0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 1m4q h ASP 19 CO -0.59 -0.27 -0.05 0.25 -1.61 0.00 0.00 179.24 176.96 1m4q h LEU 20 N -0.45 0.00 0.13 2.28 7.12 -1.84 -1.44 115.31 121.11 1m4q h LEU 20 Ca -0.04 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.72 1m4q h LEU 20 Cb 0.35 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1m4q h LEU 20 CO 0.07 0.05 -1.20 0.74 -0.13 0.00 0.00 178.44 177.97 1m4q h THR 21 N 0.00 1.21 -0.56 1.05 2.02 0.18 -3.18 112.91 113.62 1m4q h THR 21 Ca -0.00 -2.45 -0.01 0.00 0.77 0.00 0.00 66.41 64.72 1m4q h THR 21 Cb 0.20 2.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.47 1m4q h THR 21 CO 0.01 0.70 0.31 0.58 0.37 0.00 0.00 175.52 177.49 1m4q h VAL 22 N -0.33 1.19 -0.72 3.16 2.07 0.07 -1.76 116.25 119.93 1m4q h VAL 22 Ca -0.25 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1m4q h VAL 22 Cb 1.72 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1m4q h VAL 22 CO 0.09 0.20 0.47 -0.09 0.02 0.00 0.00 177.57 178.26 1m4q h ARG 23 N 0.75 0.92 -0.55 1.57 2.43 -1.42 -1.35 114.38 116.74 1m4q h ARG 23 Ca 0.20 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1m4q h ARG 23 Cb 0.05 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1m4q h ARG 23 CO -0.03 0.61 0.25 0.93 -1.51 0.00 0.00 179.97 180.22 1m4q h GLU 24 N 0.95 0.81 0.87 0.20 5.08 -1.46 -1.00 114.58 120.02 1m4q h GLU 24 Ca 0.27 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1m4q h GLU 24 Cb -0.07 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.04 1m4q h GLU 24 CO -0.07 0.68 -0.42 1.15 -1.00 0.00 0.00 179.01 179.34 1m4q h THR 25 N 0.75 0.13 -0.85 1.13 2.02 -0.87 -2.43 112.91 112.79 1m4q h THR 25 Ca 0.19 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.49 1m4q h THR 25 Cb 0.15 0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 66.61 1m4q h THR 25 CO -0.02 0.00 0.48 -0.37 0.37 0.00 0.00 175.52 175.98 1m4q h VAL 26 N -1.17 0.84 -0.93 3.16 -1.51 -1.23 -1.16 116.25 114.24 1m4q h VAL 26 Ca -0.12 -0.26 0.10 0.00 -1.23 0.00 0.00 66.70 65.19 1m4q h VAL 26 Cb 0.90 0.03 -0.08 0.00 -2.13 0.00 0.00 31.29 30.01 1m4q h VAL 26 CO 0.19 0.14 0.57 0.78 -1.23 0.00 0.00 177.57 178.01 1m4q h ASN 27 N 0.75 0.85 0.02 4.19 4.21 -1.01 0.95 115.58 125.54 1m4q h ASN 27 Ca 0.43 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.98 1m4q h ASN 27 Cb 0.49 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1m4q h ASN 27 CO -0.29 0.48 -0.01 0.58 -1.29 0.00 0.00 177.43 176.90 1m4q h VAL 28 N 0.95 1.10 0.00 2.81 2.07 -0.72 -2.09 116.25 120.37 1m4q h VAL 28 Ca 0.44 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 1m4q h VAL 28 Cb 0.37 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1m4q h VAL 28 CO -0.24 0.09 -0.63 0.16 0.02 0.00 0.00 177.57 176.97 1m4q h ILE 29 N -0.19 1.42 0.00 4.57 3.07 -1.13 -1.43 117.51 123.83 1m4q h ILE 29 Ca -0.00 -2.20 -0.05 0.00 1.55 0.00 0.00 64.86 64.16 1m4q h ILE 29 Cb 0.18 2.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.92 1m4q h ILE 29 CO 0.01 0.62 -0.24 0.74 -1.05 0.00 0.00 178.15 178.23 1m4q h THR 30 N 0.00 0.73 0.04 0.16 2.02 0.11 1.08 112.91 117.04 1m4q h THR 30 Ca -0.01 -1.03 -0.36 0.00 0.77 0.00 0.00 66.41 65.78 1m4q h THR 30 Cb 1.14 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 1m4q h THR 30 CO 0.08 0.24 -2.08 -0.11 0.37 0.00 0.00 175.52 174.02 1m4q n LEU 31 N -3.60 2.46 0.05 2.58 7.94 -0.80 -4.48 117.00 121.15 1m4q n LEU 31 Ca -0.01 0.18 -0.11 0.00 -1.11 0.00 0.00 56.01 54.96 1m4q n LEU 31 Cb 0.38 -0.98 -0.13 0.00 0.53 0.00 0.00 43.42 43.21 1m4q n LEU 31 CO 0.34 0.72 -0.17 1.88 -1.11 0.00 0.00 177.39 179.04 1m4q h TYR 32 N -0.35 0.18 -0.64 1.96 0.05 -1.29 -3.47 116.97 113.41 1m4q h TYR 32 Ca -0.50 -0.13 -0.16 0.00 0.05 0.00 0.00 58.73 57.99 1m4q h TYR 32 Cb 1.78 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 39.45 1m4q h TYR 32 CO 0.04 1.14 -0.15 0.36 -1.05 0.00 0.00 178.16 178.50 1m4q n LYS 33 N -3.33 -1.67 -0.01 4.88 2.85 0.37 -4.67 118.16 116.60 1m4q n LYS 33 Ca -0.10 0.65 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 1m4q n LYS 33 Cb 1.00 -4.79 -0.02 0.00 -0.65 0.00 0.00 35.03 30.57 1m4q n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1m4q n ASP 34 N -0.38 4.39 -4.93 -5.58 8.00 -1.26 -5.05 116.55 111.75 1m4q n ASP 34 Ca -0.08 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.16 1m4q n ASP 34 Cb 0.44 0.88 0.03 0.00 -0.02 0.00 0.00 41.12 42.45 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4q s LEU 35 N -3.62 3.29 -0.15 0.64 1.02 -1.26 -3.50 118.68 115.11 1m4q s LEU 35 Ca -0.01 0.59 -0.13 0.00 0.02 0.00 0.00 54.13 54.59 1m4q s LEU 35 Cb 0.01 -3.42 0.04 0.00 0.02 0.00 0.00 46.19 42.85 1m4q s LEU 35 CO 0.11 -1.03 0.39 -0.54 0.02 0.00 0.00 176.35 175.30 1m4q s LYS 36 N -4.91 0.45 0.25 1.70 1.02 0.18 -4.76 119.74 113.67 1m4q s LYS 36 Ca 0.53 0.55 -0.30 0.00 0.02 0.00 0.00 55.97 56.77 1m4q s LYS 36 Cb -0.10 0.22 -0.09 0.00 -0.52 0.00 0.00 37.83 37.33 1m4q s LYS 36 CO 0.43 -0.06 1.19 -1.25 -0.92 0.00 0.00 175.35 174.75 1m4q s PRO 37 N 0.23 4.51 0.01 -1.68 0.04 -1.26 -2.02 135.00 134.84 1m4q s PRO 37 Ca -0.00 1.93 0.01 0.00 0.04 0.00 0.00 61.00 62.98 1m4q s PRO 37 Cb -0.03 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 1m4q s PRO 37 CO 0.00 -0.01 -0.05 0.54 0.04 0.00 0.00 177.00 177.52 1m4q s VAL 38 N -0.66 0.37 0.25 -0.36 0.11 0.45 -4.95 120.40 115.60 1m4q s VAL 38 Ca 0.49 -0.55 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 1m4q s VAL 38 Cb -0.34 -0.38 -0.08 0.00 -1.53 0.00 0.00 36.38 34.05 1m4q s VAL 38 CO 0.42 -0.13 0.58 -0.22 -3.33 0.00 0.00 175.10 172.42 1m4q s LEU 39 N -0.73 4.15 0.18 2.54 1.98 -1.26 0.03 118.68 125.57 1m4q s LEU 39 Ca -0.04 0.98 -0.20 0.00 -2.89 0.00 0.00 54.13 51.98 1m4q s LEU 39 Cb -0.05 -3.75 0.05 0.00 0.66 0.00 0.00 46.19 43.09 1m4q s LEU 39 CO -0.00 -0.10 0.56 -1.81 -1.89 0.00 0.00 176.35 173.12 1m4q s ASP 40 N -2.35 -0.39 -0.28 3.68 1.01 -0.74 -4.83 116.67 112.78 1m4q s ASP 40 Ca 0.49 -0.27 -0.20 0.00 0.71 0.00 0.00 52.55 53.27 1m4q s ASP 40 Cb -0.11 0.59 0.10 0.00 1.01 0.00 0.00 42.92 44.51 1m4q s ASP 40 CO 0.20 -1.03 0.81 -0.55 0.21 0.00 0.00 175.17 174.81 1m4q s SER 41 N -2.82 -0.73 0.08 0.27 0.15 -1.26 -0.85 113.70 108.54 1m4q s SER 41 Ca 0.05 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.97 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 -0.21 -0.04 -0.47 1.20 0.00 0.00 173.24 173.65 1m4q s TYR 42 N 0.98 0.72 0.29 3.44 5.04 -1.17 -4.78 117.35 121.87 1m4q s TYR 42 Ca -0.05 -1.00 -0.18 0.00 -2.44 0.00 0.00 57.07 53.40 1m4q s TYR 42 Cb -0.05 -0.46 -0.09 0.00 0.35 0.00 0.00 41.96 41.71 1m4q s TYR 42 CO -0.11 -0.27 0.77 0.14 -1.34 0.00 0.00 175.55 174.75 1m4q s VAL 43 N -3.78 4.56 0.09 3.14 -7.23 -1.26 0.15 120.40 116.07 1m4q s VAL 43 Ca 0.10 1.22 0.00 0.00 -1.81 0.00 0.00 61.98 61.49 1m4q s VAL 43 Cb 0.07 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.26 1m4q s VAL 43 CO -0.07 -0.01 0.00 0.49 -0.31 0.00 0.00 175.10 175.20 1m4q n PHE 44 N 0.12 -1.48 -1.51 2.82 3.72 -1.13 -4.73 117.46 115.27 1m4q n PHE 44 Ca 0.01 0.21 -0.13 0.00 -0.05 0.00 0.00 57.45 57.50 1m4q n PHE 44 Cb 0.52 0.83 -0.10 0.00 -0.94 0.00 0.00 39.48 39.79 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 -2.73 0.98 -1.88 4.37 2.85 -1.26 -3.02 115.26 114.57 1m4q n ASN 45 Ca 0.00 -1.87 -0.12 0.00 -0.11 0.00 0.00 54.58 52.48 1m4q n ASN 45 Cb 0.00 -1.51 -0.03 0.00 1.24 0.00 0.00 39.78 39.48 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1m4q n ASP 46 N 17.04 -3.54 -0.17 1.20 9.92 -1.26 -3.51 116.55 136.24 1m4q n ASP 46 Ca 0.41 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 1m4q n ASP 46 Cb 0.43 -3.17 0.00 0.00 -0.64 0.00 0.00 41.12 37.74 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 -0.50 0.61 3.05 0.44 0.00 -1.17 -5.13 105.19 102.50 1m4q n GLY 47 Ca -0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 1m4q n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m4q s SER 48 N -0.92 -0.75 0.36 1.61 0.01 -1.23 -4.85 113.70 107.92 1m4q s SER 48 Ca 0.00 0.38 -0.25 0.00 1.31 0.00 0.00 55.95 57.39 1m4q s SER 48 Cb 0.00 1.71 -0.13 0.00 0.21 0.00 0.00 66.02 67.81 1m4q s SER 48 CO 0.00 -0.29 0.78 -1.54 0.41 0.00 0.00 173.24 172.60 1m4q n SER 49 N 5.40 0.18 -4.05 2.44 3.41 -1.25 -2.85 113.62 116.89 1m4q n SER 49 Ca -0.00 1.04 -0.22 0.00 -0.26 0.00 0.00 58.87 59.42 1m4q n SER 49 Cb 0.51 -1.20 -0.16 0.00 -0.26 0.00 0.00 64.21 63.11 1m4q n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1m4q s ARG 50 N -1.60 1.24 -0.29 4.33 3.52 0.12 -4.86 118.95 121.41 1m4q s ARG 50 Ca 0.62 -0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 55.52 1m4q s ARG 50 Cb -0.66 -1.13 -0.01 0.00 -1.56 0.00 0.00 34.95 31.59 1m4q s ARG 50 CO 0.58 0.16 1.60 -2.00 -0.81 0.00 0.00 175.30 174.83 1m4q s GLU 51 N 0.12 3.64 -0.08 5.12 2.56 -1.26 -3.05 118.70 125.75 1m4q s GLU 51 Ca -0.03 1.42 -0.03 0.00 0.00 0.00 0.00 54.97 56.33 1m4q s GLU 51 Cb -0.09 -4.06 0.04 0.00 2.00 0.00 0.00 34.13 32.02 1m4q s GLU 51 CO 0.01 -1.48 0.15 -0.51 -0.56 0.00 0.00 175.26 172.87 1m4q s LEU 52 N 5.63 0.17 0.64 2.70 1.43 -0.03 -4.94 118.68 124.27 1m4q s LEU 52 Ca 0.70 0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 1m4q s LEU 52 Cb -0.21 0.28 -0.03 0.00 0.03 0.00 0.00 46.19 46.26 1m4q s LEU 52 CO 0.31 -0.22 1.05 -0.32 0.23 0.00 0.00 176.35 177.40 1m4q s MET 53 N 1.96 3.42 0.06 1.70 -2.45 -1.26 -1.78 119.30 120.95 1m4q s MET 53 Ca -0.00 0.68 -0.11 0.00 -1.25 0.00 0.00 55.69 55.00 1m4q s MET 53 Cb -0.12 -2.07 0.01 0.00 1.25 0.00 0.00 34.83 33.90 1m4q s MET 53 CO -0.06 -0.68 0.25 0.54 1.05 0.00 0.00 175.02 176.12 1m4q s ASN 54 N -4.22 -0.01 -0.00 1.11 4.22 0.10 -1.49 114.94 114.65 1m4q s ASN 54 Ca 0.56 -0.39 0.00 0.00 -2.14 0.00 0.00 52.86 50.89 1m4q s ASN 54 Cb -0.11 0.34 -0.04 0.00 1.28 0.00 0.00 41.25 42.73 1m4q s ASN 54 CO 0.53 -0.65 0.05 -0.76 -2.04 0.00 0.00 177.10 174.23 1m4q s LEU 55 N -2.38 3.75 0.15 3.54 2.01 0.14 -0.41 118.68 125.48 1m4q s LEU 55 Ca -0.01 0.09 -0.08 0.00 0.01 0.00 0.00 54.13 54.13 1m4q s LEU 55 Cb 0.01 -2.17 -0.01 0.00 0.01 0.00 0.00 46.19 44.03 1m4q s LEU 55 CO -0.07 0.28 0.24 0.28 1.01 0.00 0.00 176.35 178.09 1m4q s THR 56 N -1.15 0.08 -3.12 5.49 -1.32 -0.86 -2.26 115.64 112.50 1m4q s THR 56 Ca 0.21 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 1m4q s THR 56 Cb -0.12 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 1m4q s THR 56 CO 0.12 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 1m4q n GLY 57 N -0.18 0.63 3.04 6.08 0.00 -1.14 0.48 105.19 114.11 1m4q n GLY 57 Ca -0.08 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 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 -4.00 -0.46 0.09 2.61 -4.23 -1.23 -2.19 115.64 106.23 1m4q s THR 58 Ca 0.00 0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.64 1m4q s THR 58 Cb 0.00 -0.51 -0.06 0.00 1.34 0.00 0.00 72.50 73.27 1m4q s THR 58 CO 0.00 0.08 0.41 0.27 -0.54 0.00 0.00 174.62 174.84 1m4q s ILE 59 N 2.46 5.08 -0.20 2.99 -4.36 -0.96 -4.51 121.20 121.70 1m4q s ILE 59 Ca 0.01 0.46 -0.29 0.00 -0.26 0.00 0.00 60.65 60.57 1m4q s ILE 59 Cb -0.12 -3.65 -0.02 0.00 1.25 0.00 0.00 42.46 39.91 1m4q s ILE 59 CO -0.10 0.27 1.50 -2.16 0.24 0.00 0.00 174.94 174.69 1m4q s PRO 60 N -1.95 3.97 -0.28 0.37 0.04 -1.26 -2.41 135.00 133.47 1m4q s PRO 60 Ca 0.34 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 1m4q s PRO 60 Cb -0.14 -3.95 0.05 0.00 0.04 0.00 0.00 34.50 30.51 1m4q s PRO 60 CO 0.18 -1.07 -0.04 0.08 0.04 0.00 0.00 177.00 176.19 1m4q s VAL 61 N 4.52 2.70 0.41 -0.36 1.01 -0.81 -4.97 120.40 122.90 1m4q s VAL 61 Ca 0.66 -1.45 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 1m4q s VAL 61 Cb -0.24 -2.55 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 1m4q s VAL 61 CO 0.25 -0.06 1.09 -2.16 0.00 0.00 0.00 175.10 174.22 1m4q s PRO 62 N 1.20 4.08 -0.14 2.72 0.04 -1.26 -1.91 135.00 139.72 1m4q s PRO 62 Ca -0.06 1.61 0.15 0.00 0.04 0.00 0.00 61.00 62.74 1m4q s PRO 62 Cb -0.20 -2.54 0.41 0.00 0.04 0.00 0.00 34.50 32.21 1m4q s PRO 62 CO -0.03 -0.24 1.20 0.98 0.04 0.00 0.00 177.00 178.95 1m4q n TYR 63 N -0.12 0.00 -2.29 0.56 9.36 -0.41 -4.50 117.16 119.76 1m4q n TYR 63 Ca 0.05 -1.16 -0.01 0.00 3.32 0.00 0.00 57.90 60.10 1m4q n TYR 63 Cb 0.49 -0.21 0.00 0.00 -0.63 0.00 0.00 39.34 38.99 1m4q n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1m4q n ARG 64 N -0.65 -0.72 0.00 2.98 5.12 -1.26 -4.55 116.66 117.59 1m4q n ARG 64 Ca 0.15 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 57.00 1m4q n ARG 64 Cb 0.82 -3.64 0.00 0.00 -1.16 0.00 0.00 32.46 28.48 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m4q n GLY 65 N -1.38 1.26 2.04 -0.13 0.00 -1.26 -5.10 105.19 100.62 1m4q n GLY 65 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1m4q n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m4q n ASN 66 N 0.00 -0.52 -3.47 1.61 6.94 -1.26 -5.17 115.26 113.39 1m4q n ASN 66 Ca 0.00 -2.35 -0.02 0.00 -0.02 0.00 0.00 54.58 52.19 1m4q n ASN 66 Cb 0.00 1.15 -0.04 0.00 -2.36 0.00 0.00 39.78 38.52 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1m4q s THR 67 N -2.82 -0.90 0.21 5.53 2.01 -1.26 -1.28 115.64 117.12 1m4q s THR 67 Ca 0.24 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.29 1m4q s THR 67 Cb 0.01 -0.93 0.04 0.00 0.01 0.00 0.00 72.50 71.63 1m4q s THR 67 CO 0.17 -0.00 0.30 -1.22 -0.69 0.00 0.00 174.62 173.18 1m4q n TYR 68 N 5.43 -2.85 -3.92 4.92 4.02 -0.80 -4.83 117.16 119.13 1m4q n TYR 68 Ca -0.07 -0.72 -0.30 0.00 -0.01 0.00 0.00 57.90 56.80 1m4q n TYR 68 Cb 0.50 -0.21 -0.14 0.00 -0.02 0.00 0.00 39.34 39.47 1m4q n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4q s ASN 69 N -2.30 4.28 -0.02 7.72 0.01 -1.26 -1.92 114.94 121.45 1m4q s ASN 69 Ca 0.22 -2.73 -0.30 0.00 -0.71 0.00 0.00 52.86 49.34 1m4q s ASN 69 Cb -0.02 -1.51 -0.04 0.00 0.41 0.00 0.00 41.25 40.09 1m4q s ASN 69 CO 0.14 -0.27 1.27 -0.51 -1.51 0.00 0.00 177.10 176.22 1m4q s ILE 70 N 0.12 4.02 0.57 0.60 1.10 -1.01 -4.77 121.20 121.83 1m4q s ILE 70 Ca 0.16 1.38 -0.19 0.00 -0.51 0.00 0.00 60.65 61.49 1m4q s ILE 70 Cb -0.24 -3.89 -0.04 0.00 0.15 0.00 0.00 42.46 38.44 1m4q s ILE 70 CO -0.03 0.01 1.18 -2.16 -2.11 0.00 0.00 174.94 171.84 1m4q s PRO 71 N 2.13 3.12 -0.02 3.50 0.04 -1.26 -2.28 135.00 140.22 1m4q s PRO 71 Ca 0.59 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 63.34 1m4q s PRO 71 Cb -0.28 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1m4q s PRO 71 CO 0.24 -1.07 0.12 0.42 0.04 0.00 0.00 177.00 176.76 1m4q s ILE 72 N -1.64 0.04 -0.29 0.56 -1.09 -0.93 -4.44 121.20 113.41 1m4q s ILE 72 Ca 0.75 -0.35 0.05 0.00 -2.23 0.00 0.00 60.65 58.87 1m4q s ILE 72 Cb -0.28 -0.30 0.19 0.00 -1.58 0.00 0.00 42.46 40.49 1m4q s ILE 72 CO 0.31 -0.19 0.56 0.00 -1.23 0.00 0.00 174.94 174.39 1m4q s LEU 74 N 2.78 2.20 0.00 0.00 2.34 -0.96 -1.76 118.68 123.28 1m4q s LEU 74 Ca 0.11 -0.43 -0.06 0.00 0.06 0.00 0.00 54.13 53.81 1m4q s LEU 74 Cb -0.11 -0.05 0.08 0.00 -0.56 0.00 0.00 46.19 45.55 1m4q s LEU 74 CO -0.26 -0.20 0.41 0.79 -1.06 0.00 0.00 176.35 176.03 1m4q n TRP 75 N 1.83 -3.85 -3.85 3.48 7.02 -1.10 -0.68 117.44 120.28 1m4q n TRP 75 Ca -0.21 -0.36 -0.13 0.00 -1.02 0.00 0.00 57.50 55.78 1m4q n TRP 75 Cb 0.56 -0.33 -0.14 0.00 -2.42 0.00 0.00 31.31 28.97 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 1.79 0.00 -0.99 2.96 -0.55 -4.68 118.68 117.21 1m4q s LEU 76 Ca 0.24 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1m4q s LEU 76 Cb -0.01 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.69 1m4q s LEU 76 CO 0.17 -0.03 0.00 0.18 -1.32 0.00 0.00 176.35 175.35 1m4q n LEU 77 N 3.30 0.00 -1.05 -0.68 7.99 -1.26 -4.61 117.00 120.68 1m4q n LEU 77 Ca -0.15 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.81 1m4q n LEU 77 Cb 0.58 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.87 1m4q n LEU 77 CO 0.25 -0.26 0.25 -0.90 -1.51 0.00 0.00 177.39 175.22 1m4q n ASP 78 N -0.04 -0.62 -0.07 -1.43 5.68 -1.26 -4.94 116.55 113.88 1m4q n ASP 78 Ca 0.00 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.05 1m4q n ASP 78 Cb 0.00 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1m4q n ASP 78 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1m4q n THR 79 N -0.17 0.00 -0.93 2.12 -1.04 -1.26 -3.14 114.28 109.85 1m4q n THR 79 Ca -0.15 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.54 1m4q n THR 79 Cb 0.55 0.69 -0.02 0.00 -1.82 0.00 0.00 70.33 69.73 1m4q n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m4q n TYR 80 N 0.00 -0.34 -2.28 -1.42 9.36 -1.26 -4.35 117.16 116.86 1m4q n TYR 80 Ca 0.00 0.64 -0.42 0.00 3.32 0.00 0.00 57.90 61.44 1m4q n TYR 80 Cb 0.52 -1.31 -0.03 0.00 -0.63 0.00 0.00 39.34 37.90 1m4q n TYR 80 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1m4q s PRO 81 N -0.67 4.29 0.00 2.98 0.04 -1.26 -5.04 135.00 135.34 1m4q s PRO 81 Ca 0.43 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1m4q s PRO 81 Cb -0.62 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1m4q s PRO 81 CO 0.37 -0.57 0.00 0.98 0.04 0.00 0.00 177.00 177.83 1m4q n TYR 82 N 5.49 -0.03 -1.56 0.56 9.36 -1.26 -5.08 117.16 124.64 1m4q n TYR 82 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1m4q n TYR 82 Cb 0.44 0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 1m4q n TYR 82 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1m4q n ASN 83 N -1.51 -7.91 -4.62 2.98 4.05 -1.26 -4.84 115.26 102.16 1m4q n ASN 83 Ca 0.00 1.09 -0.43 0.00 0.45 0.00 0.00 54.58 55.69 1m4q n ASN 83 Cb 0.00 -3.97 -0.02 0.00 1.23 0.00 0.00 39.78 37.02 1m4q n ASN 83 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1m4q s PRO 84 N -2.16 3.83 0.46 1.20 0.04 -1.26 -4.89 135.00 132.22 1m4q s PRO 84 Ca 0.00 0.84 0.25 0.00 0.04 0.00 0.00 61.00 62.13 1m4q s PRO 84 Cb 0.00 -3.87 1.05 0.00 0.04 0.00 0.00 34.50 31.72 1m4q s PRO 84 CO 0.00 -1.24 1.88 -1.00 0.04 0.00 0.00 177.00 176.69 1m4q h PRO 85 N 9.10 0.00 -5.92 0.56 0.13 -1.93 -3.43 132.00 130.51 1m4q h PRO 85 Ca -0.23 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.37 1m4q h PRO 85 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1m4q h PRO 85 CO 1.08 0.20 1.47 0.42 -0.23 0.00 0.00 178.00 180.94 1m4q s ILE 86 N -3.76 3.16 -0.10 -3.56 -1.09 -1.26 -4.93 121.20 109.67 1m4q s ILE 86 Ca -0.00 0.13 -0.04 0.00 -2.23 0.00 0.00 60.65 58.51 1m4q s ILE 86 Cb 0.11 -3.29 0.05 0.00 -1.58 0.00 0.00 42.46 37.75 1m4q s ILE 86 CO 0.62 -0.24 0.21 0.00 -1.23 0.00 0.00 174.94 174.30 1m4q s PHE 88 N 1.80 -0.13 0.03 0.00 -0.12 -0.72 -1.39 117.98 117.45 1m4q s PHE 88 Ca -0.04 0.23 -0.10 0.00 -0.05 0.00 0.00 56.93 56.97 1m4q s PHE 88 Cb -0.11 0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.27 1m4q s PHE 88 CO -0.07 -0.30 0.36 0.54 -0.05 0.00 0.00 175.22 175.70 1m4q s VAL 89 N -1.01 5.14 -0.48 -2.49 0.11 -0.93 -1.81 120.40 118.93 1m4q s VAL 89 Ca -0.11 0.49 -0.17 0.00 -2.93 0.00 0.00 61.98 59.27 1m4q s VAL 89 Cb -0.05 -3.63 0.07 0.00 -1.53 0.00 0.00 36.38 31.23 1m4q s VAL 89 CO 0.02 0.41 0.47 -0.54 -3.33 0.00 0.00 175.10 172.13 1m4q s LYS 90 N -1.59 3.03 -0.15 1.54 1.02 -1.26 -4.64 119.74 117.68 1m4q s LYS 90 Ca 0.28 -1.20 -0.26 0.00 0.02 0.00 0.00 55.97 54.82 1m4q s LYS 90 Cb -0.14 -4.12 -0.02 0.00 -0.52 0.00 0.00 37.83 33.03 1m4q s LYS 90 CO 0.15 -1.09 0.84 -1.25 -0.92 0.00 0.00 175.35 173.08 1m4q s PRO 91 N 1.97 4.32 0.78 -1.68 0.04 -1.26 -4.76 135.00 134.42 1m4q s PRO 91 Ca 0.08 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 1m4q s PRO 91 Cb -0.23 -3.56 0.06 0.00 0.04 0.00 0.00 34.50 30.82 1m4q s PRO 91 CO 0.08 -0.29 1.13 0.95 0.04 0.00 0.00 177.00 178.92 1m4q s THR 92 N 2.00 2.69 0.27 1.26 -4.23 -1.26 -4.89 115.64 111.48 1m4q s THR 92 Ca 0.39 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1m4q s THR 92 Cb -0.17 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 70.78 1m4q s THR 92 CO 0.14 -0.29 1.83 -1.28 -0.54 0.00 0.00 174.62 174.47 1m4q h SER 93 N -0.98 0.83 0.13 3.99 0.87 -2.06 0.94 113.55 117.28 1m4q h SER 93 Ca -0.46 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1m4q h SER 93 Cb 1.29 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1m4q h SER 93 CO 0.64 0.45 -0.06 -1.20 -0.53 0.00 0.00 176.83 176.13 1m4q n SER 94 N -4.67 0.81 -4.95 6.23 7.64 -1.26 -4.88 113.62 112.55 1m4q n SER 94 Ca 0.17 -1.04 -0.23 0.00 1.01 0.00 0.00 58.87 58.78 1m4q n SER 94 Cb 0.32 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.20 3.15 -0.03 1.43 0.00 0.33 -2.82 119.30 119.15 1m4q s MET 95 Ca 0.36 -0.45 -0.01 0.00 0.00 0.00 0.00 55.69 55.59 1m4q s MET 95 Cb 0.21 -2.58 0.03 0.00 0.00 0.00 0.00 34.83 32.49 1m4q s MET 95 CO 0.41 -0.19 0.05 0.99 0.00 0.00 0.00 175.02 176.28 1m4q s THR 96 N -2.51 -0.06 0.69 10.11 2.01 -1.13 -4.70 115.64 120.05 1m4q s THR 96 Ca 0.47 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.56 1m4q s THR 96 Cb -0.10 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 72.31 1m4q s THR 96 CO 0.38 0.09 1.09 -0.63 -0.69 0.00 0.00 174.62 174.86 1m4q s ILE 97 N 1.14 3.43 -0.05 1.82 1.01 -1.26 -1.61 121.20 125.68 1m4q s ILE 97 Ca -0.09 0.57 -0.01 0.00 0.00 0.00 0.00 60.65 61.12 1m4q s ILE 97 Cb -0.13 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.27 1m4q s ILE 97 CO -0.04 -0.50 0.03 -0.75 0.00 0.00 0.00 174.94 173.68 1m4q s LYS 98 N -4.48 0.24 0.19 2.79 2.36 0.15 -4.74 119.74 116.25 1m4q s LYS 98 Ca 0.63 0.22 -0.30 0.00 -2.55 0.00 0.00 55.97 53.97 1m4q s LYS 98 Cb -0.18 -0.66 -0.08 0.00 -1.05 0.00 0.00 37.83 35.85 1m4q s LYS 98 CO 0.47 -0.28 1.28 0.95 1.55 0.00 0.00 175.35 179.32 1m4q s THR 99 N 1.85 3.34 0.35 3.43 -4.23 -1.26 -4.66 115.64 114.46 1m4q s THR 99 Ca 0.02 1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 61.49 1m4q s THR 99 Cb -0.12 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.07 1m4q s THR 99 CO -0.04 0.16 0.74 0.61 -0.54 0.00 0.00 174.62 175.56 1m4q n GLY 100 N 2.35 1.04 0.36 3.99 0.00 -0.08 -4.96 105.19 107.90 1m4q n GLY 100 Ca 0.06 -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 1.79 -1.94 -3.03 116.57 115.00 1m4q h LYS 101 Ca -0.30 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.15 1m4q h LYS 101 Cb 1.13 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1m4q h LYS 101 CO 0.38 0.00 -0.71 0.72 -1.08 0.00 0.00 179.45 178.77 1m4q n HIS 102 N -3.87 0.66 -2.92 -1.35 8.25 -1.26 -4.63 115.22 110.10 1m4q n HIS 102 Ca 0.04 0.29 -0.40 0.00 -0.26 0.00 0.00 57.72 57.39 1m4q n HIS 102 Cb 0.45 -0.71 -0.06 0.00 1.12 0.00 0.00 29.99 30.79 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 -2.44 4.40 -0.03 1.59 1.01 -1.14 0.72 120.40 124.50 1m4q s VAL 103 Ca -0.20 1.79 -0.02 0.00 0.00 0.00 0.00 61.98 63.55 1m4q s VAL 103 Cb 0.03 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1m4q s VAL 103 CO 0.30 0.47 -0.04 0.44 0.00 0.00 0.00 175.10 176.27 1m4q h ASP 104 N 4.67 0.00 0.00 3.32 3.32 -1.76 -0.17 116.42 125.81 1m4q h ASP 104 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1m4q h ASP 104 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1m4q h ASP 104 CO 0.68 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 178.37 1m4q n ALA 105 N -2.53 0.00 -1.07 3.45 0.00 -1.26 -4.62 120.51 114.47 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 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 5.15 -1.26 -5.02 115.26 114.13 1m4q n ASN 106 Ca 0.00 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1m4q n ASN 106 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m4q n GLY 107 N 0.00 2.66 3.77 8.20 0.00 -1.26 -4.98 105.19 113.58 1m4q n GLY 107 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 2.47 0.23 1.61 -2.85 -1.26 -2.19 119.74 117.75 1m4q s LYS 108 Ca 0.00 1.25 -0.27 0.00 -1.00 0.00 0.00 55.97 55.95 1m4q s LYS 108 Cb 0.00 -1.92 -0.09 0.00 -2.06 0.00 0.00 37.83 33.76 1m4q s LYS 108 CO 0.00 -1.49 0.87 0.42 0.10 0.00 0.00 175.35 175.25 1m4q s ILE 109 N -2.68 4.23 -0.30 3.79 1.01 -0.48 -4.21 121.20 122.55 1m4q s ILE 109 Ca 0.63 1.86 -0.03 0.00 0.00 0.00 0.00 60.65 63.12 1m4q s ILE 109 Cb -0.18 -4.18 0.11 0.00 0.01 0.00 0.00 42.46 38.22 1m4q s ILE 109 CO 0.50 0.43 0.18 -0.47 0.00 0.00 0.00 174.94 175.58 1m4q s TYR 110 N -1.27 0.20 -0.30 3.97 5.04 0.22 -4.90 117.35 120.31 1m4q s TYR 110 Ca 0.41 -0.83 -0.17 0.00 -2.44 0.00 0.00 57.07 54.04 1m4q s TYR 110 Cb -0.23 -0.80 0.21 0.00 0.35 0.00 0.00 41.96 41.49 1m4q s TYR 110 CO 0.28 -0.85 1.28 -1.17 -1.34 0.00 0.00 175.55 173.75 1m4q s LEU 111 N 2.01 -0.05 -0.68 6.97 1.98 -1.26 -4.04 118.68 123.60 1m4q s LEU 111 Ca 0.10 0.09 -0.09 0.00 -2.89 0.00 0.00 54.13 51.34 1m4q s LEU 111 Cb -0.16 1.08 -0.08 0.00 0.66 0.00 0.00 46.19 47.69 1m4q s LEU 111 CO -0.31 -0.01 1.85 -0.81 -1.89 0.00 0.00 176.35 175.18 1m4q n PRO 112 N 2.95 1.50 -0.05 0.98 -0.04 -1.26 -4.40 135.00 134.69 1m4q n PRO 112 Ca -0.17 -1.35 -0.20 0.00 -0.04 0.00 0.00 63.50 61.74 1m4q n PRO 112 Cb 0.56 -2.47 -0.13 0.00 -0.04 0.00 0.00 33.50 31.42 1m4q n PRO 112 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1m4q h TYR 113 N 7.11 0.21 -0.08 0.54 -0.00 -1.99 -3.25 116.97 119.51 1m4q h TYR 113 Ca 0.38 -0.15 -0.13 0.00 0.00 0.00 0.00 58.73 58.83 1m4q h TYR 113 Cb 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 36.73 36.99 1m4q h TYR 113 CO 1.78 1.45 -0.47 1.25 -0.00 0.00 0.00 178.16 182.17 1m4q h LEU 114 N -0.66 0.54 -0.17 0.10 6.46 -1.98 -2.88 115.31 116.72 1m4q h LEU 114 Ca -0.27 -0.66 0.00 0.00 -0.12 0.00 0.00 57.88 56.82 1m4q h LEU 114 Cb 1.47 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1m4q h LEU 114 CO -0.05 1.12 0.00 1.57 -0.62 0.00 0.00 178.44 180.46 1m4q n HIS 115 N -4.28 0.11 -0.11 1.25 -0.00 -1.26 -2.95 115.22 107.97 1m4q n HIS 115 Ca -0.08 0.05 -0.21 0.00 0.46 0.00 0.00 57.72 57.94 1m4q n HIS 115 Cb 0.58 -0.58 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 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 -1.61 0.55 0.00 1.57 0.00 -1.17 -4.90 120.64 115.08 1m4q n GLU 116 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 57.16 57.60 1m4q n GLU 116 Cb 0.08 -1.62 0.00 0.00 0.00 0.00 0.00 31.44 29.89 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 -4.40 0.00 -3.50 4.31 -0.00 -1.10 -4.94 117.44 107.81 1m4q n TRP 117 Ca -0.34 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 56.93 1m4q n TRP 117 Cb 0.68 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 32.03 1m4q n TRP 117 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1m4q n LYS 118 N 0.00 -1.47 0.01 5.87 5.02 -1.22 -4.93 118.16 121.44 1m4q n LYS 118 Ca 0.00 0.73 -0.16 0.00 -2.02 0.00 0.00 58.31 56.86 1m4q n LYS 118 Cb 0.00 -4.57 -0.06 0.00 -0.02 0.00 0.00 35.03 30.38 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1m4q h HIS 119 N -1.21 0.94 0.38 2.13 2.76 -1.93 -3.47 115.15 114.74 1m4q h HIS 119 Ca -0.55 -0.44 -0.02 0.00 -2.20 0.00 0.00 60.37 57.16 1m4q h HIS 119 Cb 1.30 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1m4q h HIS 119 CO 0.30 1.26 -0.18 -1.00 -1.30 0.00 0.00 177.93 177.00 1m4q h PRO 120 N 0.44 -0.50 0.00 5.26 0.13 -1.98 -3.50 132.00 131.85 1m4q h PRO 120 Ca -0.07 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1m4q h PRO 120 Cb 1.46 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.71 1m4q h PRO 120 CO 0.16 -0.33 0.00 0.94 -0.23 0.00 0.00 178.00 178.54 1m4q n GLN 121 N -4.55 0.00 -2.87 0.86 0.00 -1.26 -4.87 117.38 104.69 1m4q n GLN 121 Ca -0.06 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.53 1m4q n GLN 121 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.40 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 7.32 0.57 1.69 0.15 -1.26 -5.06 113.70 117.11 1m4q s SER 122 Ca 0.00 1.58 0.08 0.00 0.70 0.00 0.00 55.95 58.31 1m4q s SER 122 Cb 0.00 -2.52 0.08 0.00 -1.71 0.00 0.00 66.02 61.87 1m4q s SER 122 CO 0.00 -0.05 0.68 -0.90 1.20 0.00 0.00 173.24 174.17 1m4q n ASP 123 N 2.97 2.31 -0.37 5.45 5.75 -1.26 -4.88 116.55 126.52 1m4q n ASP 123 Ca 0.00 -2.65 0.28 0.00 -0.01 0.00 0.00 54.79 52.42 1m4q n ASP 123 Cb 0.50 -0.31 0.56 0.00 -1.03 0.00 0.00 41.12 40.84 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1m4q h LEU 124 N 0.00 0.38 -0.69 -2.12 5.85 -1.97 0.85 115.31 117.61 1m4q h LEU 124 Ca -0.30 0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 1m4q h LEU 124 Cb 1.26 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1m4q h LEU 124 CO 0.44 -0.07 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.08 1m4q h LEU 125 N 0.26 0.68 -0.92 2.25 4.07 -1.94 -2.96 115.31 116.76 1m4q h LEU 125 Ca 0.71 -0.27 -0.11 0.00 0.08 0.00 0.00 57.88 58.29 1m4q h LEU 125 Cb 1.96 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 43.49 1m4q h LEU 125 CO -0.41 0.95 -0.54 1.23 -1.08 0.00 0.00 178.44 178.60 1m4q h GLY 126 N 1.00 0.00 0.78 0.83 0.00 0.34 -3.02 103.07 102.99 1m4q h GLY 126 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1m4q h GLY 126 CO 0.07 0.00 -0.49 -2.00 0.00 0.00 0.00 176.54 174.12 1m4q h LEU 127 N 0.00 -1.23 -1.97 3.11 6.46 -1.07 -2.36 115.31 118.24 1m4q h LEU 127 Ca -0.01 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1m4q h LEU 127 Cb 0.95 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1m4q h LEU 127 CO 0.07 -0.74 0.17 0.40 -0.62 0.00 0.00 178.44 177.72 1m4q h ILE 128 N -1.19 0.90 -0.90 4.05 5.03 -1.62 -1.34 117.51 122.45 1m4q h ILE 128 Ca -0.10 -0.01 0.06 0.00 -0.12 0.00 0.00 64.86 64.68 1m4q h ILE 128 Cb 0.95 0.86 -0.06 0.00 -3.03 0.00 0.00 36.82 35.54 1m4q h ILE 128 CO 0.10 0.01 0.57 -0.61 -0.68 0.00 0.00 178.15 177.53 1m4q h GLN 129 N 0.03 1.02 -0.08 2.37 -0.00 -1.30 0.64 115.11 117.80 1m4q h GLN 129 Ca 0.11 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.70 1m4q h GLN 129 Cb 0.42 -0.23 -0.00 0.00 0.00 0.00 0.00 27.48 27.66 1m4q h GLN 129 CO -0.01 0.67 0.02 0.28 0.00 0.00 0.00 178.83 179.80 1m4q h VAL 130 N 1.05 1.19 -0.56 2.39 2.07 -0.92 0.21 116.25 121.69 1m4q h VAL 130 Ca 0.38 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.36 1m4q h VAL 130 Cb 0.13 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1m4q h VAL 130 CO -0.16 0.17 0.37 -0.03 0.02 0.00 0.00 177.57 177.94 1m4q h MET 131 N -0.09 0.59 -0.35 1.57 4.05 -1.35 0.11 114.93 119.46 1m4q h MET 131 Ca 0.02 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.25 1m4q h MET 131 Cb 0.24 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1m4q h MET 131 CO 0.00 0.39 -0.42 0.82 0.23 0.00 0.00 176.91 177.93 1m4q h ILE 132 N 0.61 1.27 0.16 1.77 2.04 -0.52 0.62 117.51 123.46 1m4q h ILE 132 Ca 0.23 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1m4q h ILE 132 Cb 0.15 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1m4q h ILE 132 CO -0.06 0.53 -0.08 0.58 0.00 0.00 0.00 178.15 179.12 1m4q h VAL 133 N 0.72 0.97 0.16 1.67 2.07 0.27 0.92 116.25 123.03 1m4q h VAL 133 Ca 0.05 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1m4q h VAL 133 Cb 1.01 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1m4q h VAL 133 CO 0.10 0.15 -0.08 0.58 0.02 0.00 0.00 177.57 178.35 1m4q h VAL 134 N -0.54 0.85 0.00 2.57 2.07 -0.88 -1.83 116.25 118.50 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 0.41 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1m4q h VAL 134 CO 0.04 0.01 0.00 0.49 0.02 0.00 0.00 177.57 178.12 1m4q n PHE 135 N -5.17 0.60 0.09 1.57 3.01 0.21 -1.12 117.46 116.65 1m4q n PHE 135 Ca -0.09 0.25 0.03 0.00 1.01 0.00 0.00 57.45 58.66 1m4q n PHE 135 Cb 0.11 -0.91 0.43 0.00 -0.01 0.00 0.00 39.48 39.10 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 1.74 0.35 0.00 1.37 0.00 0.10 -3.35 103.07 103.28 1m4q h GLY 136 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1m4q h GLY 136 CO 0.00 0.16 -1.15 1.22 0.00 0.00 0.00 176.54 176.78 1m4q n ASP 137 N -4.38 3.16 -4.50 0.19 8.00 -1.09 -4.28 116.55 113.65 1m4q n ASP 137 Ca 0.00 -0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1m4q n ASP 137 Cb 0.17 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.05 3.28 -0.37 -1.24 2.02 -0.27 -5.02 118.70 115.05 1m4q s GLU 138 Ca -0.03 -0.41 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 1m4q s GLU 138 Cb 0.01 -4.04 -0.00 0.00 0.10 0.00 0.00 34.13 30.20 1m4q s GLU 138 CO 0.06 -1.33 1.57 -1.25 0.02 0.00 0.00 175.26 174.33 1m4q s PRO 139 N 3.43 3.49 0.20 0.39 0.04 -1.26 -4.05 135.00 137.24 1m4q s PRO 139 Ca 0.26 1.16 0.13 0.00 0.04 0.00 0.00 61.00 62.58 1m4q s PRO 139 Cb -0.14 -4.09 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 1m4q s PRO 139 CO 0.18 -1.67 1.30 -1.00 0.04 0.00 0.00 177.00 175.85 1m4q h PRO 140 N 11.55 0.00 -1.31 0.56 0.13 -1.88 -3.43 132.00 137.62 1m4q h PRO 140 Ca -0.30 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.66 1m4q h PRO 140 Cb 1.13 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.03 1m4q h PRO 140 CO 1.06 0.63 -0.54 0.54 -0.23 0.00 0.00 178.00 179.47 1m4q s VAL 141 N -2.87 -0.77 -0.08 1.56 0.11 -1.26 -0.67 120.40 116.42 1m4q s VAL 141 Ca 0.02 -0.45 -0.18 0.00 -2.93 0.00 0.00 61.98 58.44 1m4q s VAL 141 Cb 0.08 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.66 1m4q s VAL 141 CO 0.78 -0.20 0.50 0.72 -3.33 0.00 0.00 175.10 173.56 1m4q s PHE 142 N 1.59 3.57 0.62 1.54 -0.71 -0.64 -4.70 117.98 119.25 1m4q s PHE 142 Ca 0.18 0.97 -0.04 0.00 -1.04 0.00 0.00 56.93 57.00 1m4q s PHE 142 Cb -0.07 -2.54 0.03 0.00 -1.21 0.00 0.00 43.02 39.23 1m4q s PHE 142 CO -0.06 0.25 0.90 0.45 -1.34 0.00 0.00 175.22 175.42 1m4q s SER 143 N 0.29 5.22 0.46 1.98 0.15 -1.26 -2.85 113.70 117.70 1m4q s SER 143 Ca 0.27 0.41 -0.21 0.00 0.70 0.00 0.00 55.95 57.12 1m4q s SER 143 Cb -0.16 -1.26 -0.09 0.00 -1.71 0.00 0.00 66.02 62.80 1m4q s SER 143 CO 0.12 -1.27 1.02 -0.13 1.20 0.00 0.00 173.24 174.19 1m4q s ARG 144 N -5.01 3.93 0.00 5.44 0.52 -1.13 -4.88 118.95 117.83 1m4q s ARG 144 Ca 0.57 1.34 0.17 0.00 -0.52 0.00 0.00 55.73 57.29 1m4q s ARG 144 Cb -0.11 -2.18 1.00 0.00 0.52 0.00 0.00 34.95 34.19 1m4q s ARG 144 CO 0.43 -0.32 1.41 -0.35 0.02 0.00 0.00 175.30 176.49