#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4q n VAL 3 N 0.00 0.24 0.31 0.00 0.31 -1.26 -4.43 118.33 113.50 1m4q n VAL 3 Ca 0.00 -0.38 0.13 0.00 -0.01 0.00 0.00 64.34 64.08 1m4q n VAL 3 Cb 0.00 -0.04 0.30 0.00 -0.91 0.00 0.00 33.84 33.19 1m4q n VAL 3 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1m4q h SER 4 N 0.00 0.00 -0.62 4.52 0.87 -2.00 -3.30 113.55 113.02 1m4q h SER 4 Ca -0.09 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.58 1m4q h SER 4 Cb 0.95 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.82 1m4q h SER 4 CO 0.01 0.00 0.19 1.05 -0.53 0.00 0.00 176.83 177.54 1m4q h GLU 5 N 0.00 0.33 -0.24 2.24 4.11 -1.99 0.87 114.58 119.89 1m4q h GLU 5 Ca 0.00 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.42 1m4q h GLU 5 Cb 0.85 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1m4q h GLU 5 CO 0.00 0.22 0.14 0.77 0.07 0.00 0.00 179.01 180.21 1m4q h SER 6 N 0.34 0.24 0.69 3.06 0.02 -1.86 -2.10 113.55 113.93 1m4q h SER 6 Ca 0.33 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1m4q h SER 6 Cb 0.46 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1m4q h SER 6 CO -0.37 0.17 -0.35 -0.61 -1.14 0.00 0.00 176.83 174.54 1m4q h GLN 7 N 0.30 0.00 -0.91 3.45 5.75 -1.46 -3.01 115.11 119.23 1m4q h GLN 7 Ca 0.09 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1m4q h GLN 7 Cb -0.01 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.49 1m4q h GLN 7 CO -0.04 0.35 0.61 1.25 -2.65 0.00 0.00 178.83 178.35 1m4q h LEU 8 N 0.00 1.05 -0.48 -2.39 5.85 0.14 -1.62 115.31 117.86 1m4q h LEU 8 Ca -0.00 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1m4q h LEU 8 Cb 0.79 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1m4q h LEU 8 CO 0.05 0.76 0.13 0.50 -0.34 0.00 0.00 178.44 179.53 1m4q h LYS 9 N 1.24 0.27 0.00 1.25 3.64 -1.36 0.06 116.57 121.67 1m4q h LYS 9 Ca 0.33 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1m4q h LYS 9 Cb -0.14 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1m4q h LYS 9 CO -0.07 0.18 -0.19 0.87 -2.27 0.00 0.00 179.45 177.96 1m4q h LYS 10 N 0.28 0.00 0.00 1.90 1.57 -1.59 -2.92 116.57 115.81 1m4q h LYS 10 Ca 0.24 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1m4q h LYS 10 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1m4q h LYS 10 CO -0.28 0.19 -0.02 1.98 -0.57 0.00 0.00 179.45 180.75 1m4q h MET 11 N 0.00 0.00 0.00 3.15 4.05 -0.01 -3.36 114.93 118.76 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 0.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1m4q h MET 11 CO 0.03 0.02 0.00 1.33 0.23 0.00 0.00 176.91 178.52 1m4q n VAL 12 N -3.45 0.00 -2.59 -5.77 0.24 -1.11 -4.95 118.33 100.71 1m4q n VAL 12 Ca -0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 1m4q n VAL 12 Cb 0.12 -0.88 -0.00 0.00 -1.47 0.00 0.00 33.84 31.61 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 -1.23 -3.58 0.00 -1.34 7.64 -1.20 -4.64 113.62 109.27 1m4q n SER 13 Ca 0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1m4q n SER 13 Cb 0.00 -3.05 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 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 -2.92 0.00 -1.59 1.43 4.76 -1.26 -5.13 118.16 113.45 1m4q n LYS 14 Ca -0.11 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.01 1m4q n LYS 14 Cb 0.59 -0.08 0.06 0.00 -1.84 0.00 0.00 35.03 33.76 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1m4q s TYR 15 N 0.00 2.65 0.40 2.13 1.51 -1.26 -4.92 117.35 117.85 1m4q s TYR 15 Ca 0.00 1.55 0.07 0.00 -1.01 0.00 0.00 57.07 57.68 1m4q s TYR 15 Cb 0.00 -3.11 0.84 0.00 -0.11 0.00 0.00 41.96 39.58 1m4q s TYR 15 CO 0.00 -1.68 2.02 -0.22 -1.11 0.00 0.00 175.55 174.56 1m4q h LYS 16 N -0.39 0.48 -2.03 -0.62 3.64 -1.88 -3.30 116.57 112.47 1m4q h LYS 16 Ca -0.45 -0.05 -0.55 0.00 -1.27 0.00 0.00 60.65 58.32 1m4q h LYS 16 Cb 1.24 -0.10 -0.38 0.00 -0.41 0.00 0.00 32.23 32.58 1m4q h LYS 16 CO 0.53 0.37 -1.05 0.66 -2.27 0.00 0.00 179.45 177.69 1m4q n TYR 17 N -4.43 -0.63 -0.26 1.91 4.01 -1.26 -4.99 117.16 111.51 1m4q n TYR 17 Ca 0.02 -3.42 0.06 0.00 -0.16 0.00 0.00 57.90 54.40 1m4q n TYR 17 Cb 0.11 -0.12 0.18 0.00 -0.31 0.00 0.00 39.34 39.20 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 4.43 0.17 0.42 -0.72 2.43 -1.96 0.49 114.38 119.63 1m4q h ARG 18 Ca 0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1m4q h ARG 18 Cb 0.89 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1m4q h ARG 18 CO 0.43 0.11 -0.30 0.38 -1.51 0.00 0.00 179.97 179.07 1m4q h ASP 19 N 0.17 -0.79 0.49 -3.80 2.03 -1.94 0.71 116.42 113.30 1m4q h ASP 19 Ca 0.43 0.06 -0.02 0.00 -0.73 0.00 0.00 57.03 56.77 1m4q h ASP 19 Cb 0.76 0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1m4q h ASP 19 CO -0.60 -0.46 -0.08 -0.07 -1.03 0.00 0.00 179.24 177.00 1m4q h LEU 20 N -0.71 0.00 0.10 0.15 4.07 -1.74 -2.40 115.31 114.79 1m4q h LEU 20 Ca -0.04 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.76 1m4q h LEU 20 Cb 0.61 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.36 1m4q h LEU 20 CO 0.01 0.08 -0.73 0.74 -1.08 0.00 0.00 178.44 177.46 1m4q h THR 21 N 0.00 1.50 -0.62 0.22 2.02 0.67 -3.13 112.91 113.57 1m4q h THR 21 Ca -0.00 -2.47 0.04 0.00 0.77 0.00 0.00 66.41 64.75 1m4q h THR 21 Cb 0.34 3.16 -0.05 0.00 -1.74 0.00 0.00 68.15 69.87 1m4q h THR 21 CO 0.01 0.68 0.36 0.58 0.37 0.00 0.00 175.52 177.52 1m4q h VAL 22 N -0.51 1.03 -0.77 3.16 2.07 0.63 -0.84 116.25 121.02 1m4q h VAL 22 Ca -0.14 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1m4q h VAL 22 Cb 1.51 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1m4q h VAL 22 CO 0.10 0.13 0.50 -0.09 0.02 0.00 0.00 177.57 178.23 1m4q h ARG 23 N 0.70 0.98 -0.50 1.57 9.65 -1.56 -0.66 114.38 124.56 1m4q h ARG 23 Ca 0.26 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 59.05 1m4q h ARG 23 Cb 0.09 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 1m4q h ARG 23 CO -0.14 0.65 0.18 0.93 2.80 0.00 0.00 179.97 184.39 1m4q h GLU 24 N 1.00 0.75 0.84 0.20 3.07 -1.32 -1.02 114.58 118.11 1m4q h GLU 24 Ca 0.29 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1m4q h GLU 24 Cb -0.07 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1m4q h GLU 24 CO -0.08 0.69 -0.40 1.15 -1.40 0.00 0.00 179.01 178.97 1m4q h THR 25 N 0.66 0.15 -0.89 1.13 2.02 -0.70 -2.53 112.91 112.76 1m4q h THR 25 Ca 0.16 -0.04 0.13 0.00 0.77 0.00 0.00 66.41 67.43 1m4q h THR 25 Cb 0.23 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 66.72 1m4q h THR 25 CO -0.01 0.00 0.51 -0.37 0.37 0.00 0.00 175.52 176.02 1m4q h VAL 26 N -1.16 0.83 -0.72 3.16 -1.51 -1.13 -1.42 116.25 114.31 1m4q h VAL 26 Ca -0.11 -0.27 0.08 0.00 -1.23 0.00 0.00 66.70 65.17 1m4q h VAL 26 Cb 0.87 -0.01 -0.07 0.00 -2.13 0.00 0.00 31.29 29.95 1m4q h VAL 26 CO 0.19 0.14 0.38 0.78 -1.23 0.00 0.00 177.57 177.83 1m4q h ASN 27 N 0.77 0.53 -0.16 4.19 4.21 -1.03 0.95 115.58 125.04 1m4q h ASN 27 Ca 0.46 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 58.01 1m4q h ASN 27 Cb 0.54 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1m4q h ASN 27 CO -0.30 0.31 0.06 0.58 -1.29 0.00 0.00 177.43 176.79 1m4q h VAL 28 N 0.66 1.15 0.00 2.81 2.07 -0.83 -2.25 116.25 119.86 1m4q h VAL 28 Ca 0.34 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 1m4q h VAL 28 Cb 0.31 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1m4q h VAL 28 CO -0.24 0.14 -0.58 0.16 0.02 0.00 0.00 177.57 177.07 1m4q h ILE 29 N 0.10 1.31 0.00 4.57 3.07 -1.05 -1.15 117.51 124.36 1m4q h ILE 29 Ca 0.05 -2.06 -0.07 0.00 1.55 0.00 0.00 64.86 64.33 1m4q h ILE 29 Cb 0.16 2.14 -0.01 0.00 -0.27 0.00 0.00 36.82 38.85 1m4q h ILE 29 CO -0.00 0.57 -0.32 0.74 -1.05 0.00 0.00 178.15 178.08 1m4q h THR 30 N 0.00 1.06 0.04 0.16 2.02 0.11 0.96 112.91 117.26 1m4q h THR 30 Ca -0.01 -1.17 -0.32 0.00 0.77 0.00 0.00 66.41 65.68 1m4q h THR 30 Cb 1.10 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.14 1m4q h THR 30 CO 0.08 0.32 -1.77 -0.11 0.37 0.00 0.00 175.52 174.40 1m4q n LEU 31 N -3.90 2.22 -0.07 2.58 7.94 -0.87 -4.62 117.00 120.28 1m4q n LEU 31 Ca -0.02 0.30 -0.12 0.00 -1.11 0.00 0.00 56.01 55.06 1m4q n LEU 31 Cb 0.39 -1.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.25 1m4q n LEU 31 CO 0.37 0.56 0.06 1.88 -1.11 0.00 0.00 177.39 179.15 1m4q h TYR 32 N -0.57 0.00 0.00 1.96 0.05 -1.24 -3.48 116.97 113.69 1m4q h TYR 32 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1m4q h TYR 32 Cb 1.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.37 1m4q h TYR 32 CO 0.06 0.85 0.00 0.36 -1.05 0.00 0.00 178.16 178.38 1m4q n LYS 33 N -4.60 -0.42 -0.00 4.88 -0.00 0.33 -4.79 118.16 113.56 1m4q n LYS 33 Ca -0.13 0.10 0.02 0.00 -0.00 0.00 0.00 58.31 58.30 1m4q n LYS 33 Cb 0.42 -3.46 -0.02 0.00 -0.00 0.00 0.00 35.03 31.97 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 -0.21 2.32 -4.55 -5.58 8.00 -1.26 -4.96 116.55 110.31 1m4q n ASP 34 Ca 0.00 -0.27 -0.43 0.00 0.71 0.00 0.00 54.79 54.80 1m4q n ASP 34 Cb 0.10 1.08 -0.04 0.00 -0.02 0.00 0.00 41.12 42.24 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 -2.72 4.08 -0.37 0.64 2.96 -1.26 -3.47 118.68 118.54 1m4q s LEU 35 Ca -0.00 -0.02 -0.20 0.00 -0.22 0.00 0.00 54.13 53.69 1m4q s LEU 35 Cb 0.02 -3.08 0.01 0.00 0.50 0.00 0.00 46.19 43.64 1m4q s LEU 35 CO 0.13 -1.05 0.62 -0.75 -1.32 0.00 0.00 176.35 173.98 1m4q s LYS 36 N 3.67 3.59 0.02 1.98 2.20 0.31 -4.69 119.74 126.83 1m4q s LYS 36 Ca 0.34 -0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.58 1m4q s LYS 36 Cb -0.11 -3.84 -0.08 0.00 -1.51 0.00 0.00 37.83 32.29 1m4q s LYS 36 CO 0.24 -0.78 1.87 -1.25 -0.36 0.00 0.00 175.35 175.07 1m4q s PRO 37 N 2.69 4.15 -0.00 4.03 0.04 -1.26 -2.04 135.00 142.61 1m4q s PRO 37 Ca 0.23 2.49 0.03 0.00 0.04 0.00 0.00 61.00 63.79 1m4q s PRO 37 Cb -0.14 -4.06 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 1m4q s PRO 37 CO 0.16 -0.91 -0.06 0.54 0.04 0.00 0.00 177.00 176.77 1m4q s VAL 38 N 4.18 3.73 0.16 -0.36 0.11 0.19 -4.93 120.40 123.47 1m4q s VAL 38 Ca 0.84 -0.72 -0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1m4q s VAL 38 Cb -0.40 -2.62 -0.06 0.00 -1.53 0.00 0.00 36.38 31.77 1m4q s VAL 38 CO 0.38 0.41 0.40 -0.22 -3.33 0.00 0.00 175.10 172.74 1m4q s LEU 39 N -1.38 4.25 0.16 2.54 1.98 -1.26 0.53 118.68 125.50 1m4q s LEU 39 Ca 0.17 0.64 -0.18 0.00 -2.89 0.00 0.00 54.13 51.87 1m4q s LEU 39 Cb -0.11 -3.37 0.04 0.00 0.66 0.00 0.00 46.19 43.41 1m4q s LEU 39 CO 0.07 0.03 0.50 -1.81 -1.89 0.00 0.00 176.35 173.26 1m4q s ASP 40 N -2.42 -0.33 -0.29 3.68 1.11 -0.99 -4.83 116.67 112.61 1m4q s ASP 40 Ca 0.42 -0.31 -0.16 0.00 0.18 0.00 0.00 52.55 52.69 1m4q s ASP 40 Cb -0.12 0.55 0.11 0.00 1.07 0.00 0.00 42.92 44.54 1m4q s ASP 40 CO 0.24 -0.97 0.83 -0.94 1.18 0.00 0.00 175.17 175.51 1m4q s SER 41 N -2.82 -0.73 0.12 0.27 1.04 -1.25 -1.45 113.70 108.87 1m4q s SER 41 Ca 0.05 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 57.63 1m4q s SER 41 Cb -0.00 1.33 -0.04 0.00 0.10 0.00 0.00 66.02 67.41 1m4q s SER 41 CO -0.08 -0.18 0.04 -0.47 0.98 0.00 0.00 173.24 173.53 1m4q s TYR 42 N 1.54 0.79 0.26 5.02 5.04 -1.17 -4.80 117.35 124.04 1m4q s TYR 42 Ca -0.09 -1.20 -0.18 0.00 -2.44 0.00 0.00 57.07 53.15 1m4q s TYR 42 Cb -0.05 -0.46 -0.09 0.00 0.35 0.00 0.00 41.96 41.72 1m4q s TYR 42 CO -0.17 -0.49 0.74 0.14 -1.34 0.00 0.00 175.55 174.42 1m4q s VAL 43 N -4.02 4.59 0.12 3.14 -7.23 -1.26 0.51 120.40 116.25 1m4q s VAL 43 Ca 0.21 1.19 0.00 0.00 -1.81 0.00 0.00 61.98 61.57 1m4q s VAL 43 Cb 0.08 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1m4q s VAL 43 CO -0.00 0.07 0.00 0.49 -0.31 0.00 0.00 175.10 175.35 1m4q n PHE 44 N 0.36 -1.67 -1.52 2.82 3.72 -1.14 -4.73 117.46 115.30 1m4q n PHE 44 Ca -0.00 0.29 -0.13 0.00 -0.05 0.00 0.00 57.45 57.56 1m4q n PHE 44 Cb 0.52 0.93 -0.10 0.00 -0.94 0.00 0.00 39.48 39.89 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 -2.82 1.07 -1.91 4.37 5.15 -1.26 -3.01 115.26 116.85 1m4q n ASN 45 Ca 0.00 -1.92 -0.13 0.00 -0.60 0.00 0.00 54.58 51.94 1m4q n ASN 45 Cb 0.00 -1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 37.67 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 -3.69 -0.25 1.20 9.92 -1.26 -3.50 116.55 136.46 1m4q n ASP 46 Ca 0.42 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 1m4q n ASP 46 Cb 0.44 -3.29 0.00 0.00 -0.64 0.00 0.00 41.12 37.63 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 -0.53 0.54 3.04 0.44 0.00 -1.16 -5.13 105.19 102.40 1m4q n GLY 47 Ca -0.14 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 1m4q n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4q s SER 48 N -0.94 -0.69 0.18 1.61 0.15 -1.23 -4.85 113.70 107.93 1m4q s SER 48 Ca 0.00 0.34 -0.33 0.00 0.70 0.00 0.00 55.95 56.67 1m4q s SER 48 Cb 0.00 1.67 -0.15 0.00 -1.71 0.00 0.00 66.02 65.83 1m4q s SER 48 CO 0.00 -0.30 1.20 -1.54 1.20 0.00 0.00 173.24 173.81 1m4q n SER 49 N 5.40 1.53 -4.26 5.45 3.41 -1.25 -2.89 113.62 121.00 1m4q n SER 49 Ca -0.00 1.14 -0.31 0.00 -0.26 0.00 0.00 58.87 59.44 1m4q n SER 49 Cb 0.51 -1.24 -0.16 0.00 -0.26 0.00 0.00 64.21 63.06 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 -0.34 2.47 -1.08 4.33 3.52 0.18 -4.87 118.95 123.16 1m4q s ARG 50 Ca 0.73 -0.89 -0.22 0.00 -0.13 0.00 0.00 55.73 55.22 1m4q s ARG 50 Cb -0.83 -2.11 -0.10 0.00 -1.56 0.00 0.00 34.95 30.35 1m4q s ARG 50 CO 0.52 0.38 1.92 -1.91 -0.81 0.00 0.00 175.30 175.40 1m4q n GLU 51 N 2.93 1.69 -3.43 5.12 4.07 -1.26 -3.03 120.64 126.73 1m4q n GLU 51 Ca -0.17 -2.35 -0.43 0.00 -0.06 0.00 0.00 57.16 54.14 1m4q n GLU 51 Cb 0.52 -3.49 -0.09 0.00 -0.06 0.00 0.00 31.44 28.32 1m4q n GLU 51 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1m4q s LEU 52 N 7.86 5.26 0.66 4.31 0.20 -0.53 -4.83 118.68 131.60 1m4q s LEU 52 Ca 0.64 -1.02 -0.10 0.00 0.69 0.00 0.00 54.13 54.34 1m4q s LEU 52 Cb 0.04 -2.18 -0.00 0.00 -0.43 0.00 0.00 46.19 43.62 1m4q s LEU 52 CO 0.13 -0.52 1.04 -0.32 -0.29 0.00 0.00 176.35 176.39 1m4q s MET 53 N 1.70 3.08 0.26 1.98 -2.45 -1.26 -2.35 119.30 120.27 1m4q s MET 53 Ca 0.05 0.47 -0.09 0.00 -1.25 0.00 0.00 55.69 54.87 1m4q s MET 53 Cb -0.21 -2.08 -0.01 0.00 1.25 0.00 0.00 34.83 33.79 1m4q s MET 53 CO 0.09 -0.84 0.43 0.54 1.05 0.00 0.00 175.02 176.29 1m4q s ASN 54 N -4.30 0.18 -0.01 1.11 4.22 0.19 -1.74 114.94 114.59 1m4q s ASN 54 Ca 0.56 -1.13 0.02 0.00 -2.14 0.00 0.00 52.86 50.17 1m4q s ASN 54 Cb -0.11 0.58 -0.00 0.00 1.28 0.00 0.00 41.25 43.00 1m4q s ASN 54 CO 0.51 -1.14 -0.05 -0.76 -2.04 0.00 0.00 177.10 173.62 1m4q s LEU 55 N -3.09 1.93 -0.01 3.54 1.43 -0.35 0.53 118.68 122.66 1m4q s LEU 55 Ca 0.27 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1m4q s LEU 55 Cb 0.01 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.94 1m4q s LEU 55 CO 0.12 0.05 0.17 0.28 0.23 0.00 0.00 176.35 177.20 1m4q s THR 56 N -0.01 0.07 0.00 5.49 -1.32 -0.87 -1.11 115.64 117.89 1m4q s THR 56 Ca 0.01 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 1m4q s THR 56 Cb -0.03 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1m4q s THR 56 CO -0.00 -0.32 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 1m4q n GLY 57 N 1.58 2.00 3.57 6.08 0.00 -0.12 0.12 105.19 118.42 1m4q n GLY 57 Ca -0.22 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 5.02 0.17 2.61 -4.23 -1.23 -2.02 115.64 113.97 1m4q s THR 58 Ca 0.00 0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 60.95 1m4q s THR 58 Cb 0.00 -3.94 -0.06 0.00 1.34 0.00 0.00 72.50 69.84 1m4q s THR 58 CO 0.00 -0.15 0.43 0.27 -0.54 0.00 0.00 174.62 174.64 1m4q s ILE 59 N 2.40 5.09 -0.21 2.99 -4.36 -0.66 -4.64 121.20 121.81 1m4q s ILE 59 Ca 0.20 0.15 -0.29 0.00 -0.26 0.00 0.00 60.65 60.45 1m4q s ILE 59 Cb -0.15 -3.63 -0.03 0.00 1.25 0.00 0.00 42.46 39.89 1m4q s ILE 59 CO 0.12 -0.01 1.75 -2.16 0.24 0.00 0.00 174.94 174.88 1m4q s PRO 60 N -2.75 3.69 -0.36 0.37 0.04 -1.26 -1.85 135.00 132.88 1m4q s PRO 60 Ca 0.43 1.78 -0.05 0.00 0.04 0.00 0.00 61.00 63.20 1m4q s PRO 60 Cb -0.12 -4.11 0.06 0.00 0.04 0.00 0.00 34.50 30.37 1m4q s PRO 60 CO 0.24 -1.43 0.12 0.08 0.04 0.00 0.00 177.00 176.05 1m4q s VAL 61 N 5.73 3.54 0.05 -0.36 1.01 0.10 -4.93 120.40 125.54 1m4q s VAL 61 Ca 0.78 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1m4q s VAL 61 Cb -0.27 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1m4q s VAL 61 CO 0.32 -0.32 1.12 -2.16 0.00 0.00 0.00 175.10 174.05 1m4q s PRO 62 N 1.31 4.48 0.00 2.72 0.04 -1.26 -0.54 135.00 141.75 1m4q s PRO 62 Ca 0.00 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1m4q s PRO 62 Cb -0.21 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1m4q s PRO 62 CO 0.00 -0.17 0.00 0.98 0.04 0.00 0.00 177.00 177.85 1m4q n TYR 63 N 3.83 0.00 0.03 0.56 9.36 0.13 -4.31 117.16 126.76 1m4q n TYR 63 Ca 0.08 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.50 1m4q n TYR 63 Cb 0.48 0.00 0.72 0.00 -0.63 0.00 0.00 39.34 39.91 1m4q n TYR 63 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1m4q h ARG 64 N 0.00 0.00 0.00 2.98 2.43 -1.96 -3.32 114.38 114.51 1m4q h ARG 64 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1m4q h ARG 64 Cb 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1m4q h ARG 64 CO 0.00 0.00 -0.09 0.41 -1.51 0.00 0.00 179.97 178.78 1m4q n GLY 65 N -1.58 0.51 0.00 2.80 0.00 -1.26 -5.15 105.19 100.51 1m4q n GLY 65 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -3.19 1.61 0.23 -1.25 -5.16 115.26 107.50 1m4q n ASN 66 Ca -0.08 -0.73 0.01 0.00 -0.53 0.00 0.00 54.58 53.26 1m4q n ASN 66 Cb 0.45 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.13 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1m4q s THR 67 N -1.99 -0.92 0.35 5.53 2.01 -1.26 0.17 115.64 119.52 1m4q s THR 67 Ca 0.00 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1m4q s THR 67 Cb 0.00 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.60 1m4q s THR 67 CO 0.00 -0.04 0.48 -1.22 -0.69 0.00 0.00 174.62 173.15 1m4q n TYR 68 N 5.41 -2.82 -3.95 4.92 4.02 0.30 -4.76 117.16 120.29 1m4q n TYR 68 Ca 0.00 -1.08 -0.30 0.00 -0.01 0.00 0.00 57.90 56.51 1m4q n TYR 68 Cb 0.51 -0.34 -0.14 0.00 -0.02 0.00 0.00 39.34 39.36 1m4q n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4q s ASN 69 N -3.05 4.36 -0.07 7.72 0.01 -1.26 0.01 114.94 122.67 1m4q s ASN 69 Ca 0.34 -2.77 -0.30 0.00 -0.71 0.00 0.00 52.86 49.42 1m4q s ASN 69 Cb -0.02 -1.58 -0.03 0.00 0.41 0.00 0.00 41.25 40.02 1m4q s ASN 69 CO 0.22 -0.27 1.27 -0.51 -1.51 0.00 0.00 177.10 176.30 1m4q s ILE 70 N 0.05 4.12 0.05 0.60 1.10 -0.77 -4.67 121.20 121.67 1m4q s ILE 70 Ca 0.16 1.43 -0.30 0.00 -0.51 0.00 0.00 60.65 61.43 1m4q s ILE 70 Cb -0.24 -3.92 -0.04 0.00 0.15 0.00 0.00 42.46 38.40 1m4q s ILE 70 CO -0.02 -0.03 1.00 -2.16 -2.11 0.00 0.00 174.94 171.61 1m4q s PRO 71 N 2.58 4.60 0.09 3.50 0.04 -1.26 -1.66 135.00 142.89 1m4q s PRO 71 Ca 0.58 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 63.00 1m4q s PRO 71 Cb -0.26 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1m4q s PRO 71 CO 0.22 0.03 0.22 0.42 0.04 0.00 0.00 177.00 177.92 1m4q s ILE 72 N 0.61 0.13 -0.23 0.56 1.01 -0.86 -1.43 121.20 121.00 1m4q s ILE 72 Ca 0.51 -1.10 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1m4q s ILE 72 Cb -0.23 -1.32 0.07 0.00 0.01 0.00 0.00 42.46 40.99 1m4q s ILE 72 CO 0.29 -0.61 0.58 0.00 0.00 0.00 0.00 174.94 175.20 1m4q s LEU 74 N 1.31 1.75 0.00 0.00 2.34 -0.27 -2.85 118.68 120.96 1m4q s LEU 74 Ca -0.08 -0.54 -0.17 0.00 0.06 0.00 0.00 54.13 53.40 1m4q s LEU 74 Cb -0.06 0.66 0.23 0.00 -0.56 0.00 0.00 46.19 46.46 1m4q s LEU 74 CO -0.14 -0.53 1.34 0.79 -1.06 0.00 0.00 176.35 176.75 1m4q n TRP 75 N 0.67 -4.00 -3.74 3.48 7.02 -1.21 -1.21 117.44 118.46 1m4q n TRP 75 Ca -0.18 -1.19 -0.13 0.00 -1.02 0.00 0.00 57.50 54.98 1m4q n TRP 75 Cb 0.59 -1.05 -0.14 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 0.59 0.00 -0.99 2.96 -0.71 -4.68 118.68 115.85 1m4q s LEU 76 Ca 0.76 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 1m4q s LEU 76 Cb -0.02 0.51 0.00 0.00 0.50 0.00 0.00 46.19 47.17 1m4q s LEU 76 CO 0.54 -0.16 0.00 0.18 -1.32 0.00 0.00 176.35 175.59 1m4q n LEU 77 N 4.23 0.00 -1.28 -0.68 4.77 -1.26 -4.40 117.00 118.38 1m4q n LEU 77 Ca -0.26 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.69 1m4q n LEU 77 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1m4q n LEU 77 CO 0.16 -0.19 0.29 -0.90 -1.33 0.00 0.00 177.39 175.42 1m4q n ASP 78 N 0.00 -0.65 -0.44 -1.43 5.75 -1.26 -4.90 116.55 113.63 1m4q n ASP 78 Ca 0.00 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1m4q n ASP 78 Cb 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1m4q n ASP 78 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1m4q n THR 79 N -0.32 0.00 -0.94 2.12 -1.04 -1.26 -2.67 114.28 110.18 1m4q n THR 79 Ca -0.13 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.52 1m4q n THR 79 Cb 0.58 0.02 0.06 0.00 -1.82 0.00 0.00 70.33 69.17 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 -3.62 -2.13 -1.42 4.11 -1.26 -4.55 117.16 108.29 1m4q n TYR 80 Ca 0.00 0.13 -0.42 0.00 -0.00 0.00 0.00 57.90 57.61 1m4q n TYR 80 Cb 0.51 -1.51 -0.03 0.00 -0.00 0.00 0.00 39.34 38.31 1m4q n TYR 80 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1m4q s PRO 81 N -2.44 4.18 0.00 -3.48 0.04 -1.26 -5.05 135.00 126.99 1m4q s PRO 81 Ca 0.44 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1m4q s PRO 81 Cb -0.14 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1m4q s PRO 81 CO 0.76 -0.82 0.00 0.98 0.04 0.00 0.00 177.00 177.96 1m4q n TYR 82 N 7.04 0.00 -1.18 0.56 9.36 -1.26 -5.07 117.16 126.61 1m4q n TYR 82 Ca 0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1m4q n TYR 82 Cb 0.43 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 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 -1.37 -6.64 -4.63 2.98 2.85 -1.26 -4.79 115.26 102.40 1m4q n ASN 83 Ca 0.00 0.90 -0.43 0.00 -0.11 0.00 0.00 54.58 54.94 1m4q n ASN 83 Cb 0.00 -3.14 -0.03 0.00 1.24 0.00 0.00 39.78 37.86 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 -3.90 3.75 -1.07 1.20 0.04 -1.26 -4.84 135.00 128.92 1m4q s PRO 84 Ca 0.00 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 62.76 1m4q s PRO 84 Cb 0.00 -4.09 -0.09 0.00 0.04 0.00 0.00 34.50 30.37 1m4q s PRO 84 CO 0.00 -1.36 2.54 -0.35 0.04 0.00 0.00 177.00 177.87 1m4q n PRO 85 N 7.79 2.63 -3.39 0.56 -0.04 -1.26 -4.67 135.00 136.62 1m4q n PRO 85 Ca 0.20 -1.65 0.02 0.00 -0.04 0.00 0.00 63.50 62.03 1m4q n PRO 85 Cb 0.45 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 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 2.68 -0.87 -0.12 0.52 -1.09 -1.26 -5.09 121.20 115.97 1m4q s ILE 86 Ca 0.53 0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.90 1m4q s ILE 86 Cb 0.15 -1.00 0.06 0.00 -1.58 0.00 0.00 42.46 40.09 1m4q s ILE 86 CO -0.04 0.00 0.24 0.00 -1.23 0.00 0.00 174.94 173.91 1m4q s PHE 88 N 2.26 0.36 0.20 0.00 -0.12 -1.13 -0.21 117.98 119.34 1m4q s PHE 88 Ca 0.00 -0.84 -0.05 0.00 -0.05 0.00 0.00 56.93 56.00 1m4q s PHE 88 Cb -0.12 -0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 41.99 1m4q s PHE 88 CO -0.08 -0.47 0.45 0.54 -0.05 0.00 0.00 175.22 175.60 1m4q s VAL 89 N -3.90 5.11 -0.99 -2.49 0.11 0.19 -2.06 120.40 116.36 1m4q s VAL 89 Ca 0.07 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1m4q s VAL 89 Cb 0.06 -3.67 0.27 0.00 -1.53 0.00 0.00 36.38 31.51 1m4q s VAL 89 CO -0.10 -0.11 1.07 0.29 -3.33 0.00 0.00 175.10 172.93 1m4q n LYS 90 N -0.36 3.41 -2.37 1.54 4.76 -0.51 -4.76 118.16 119.87 1m4q n LYS 90 Ca -0.02 -4.51 -0.42 0.00 -2.87 0.00 0.00 58.31 50.48 1m4q n LYS 90 Cb 0.53 -2.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.22 1m4q n LYS 90 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1m4q s PRO 91 N -1.84 4.34 0.78 1.97 0.04 -1.26 -4.57 135.00 134.45 1m4q s PRO 91 Ca 0.31 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 1m4q s PRO 91 Cb -0.03 -3.52 0.06 0.00 0.04 0.00 0.00 34.50 31.04 1m4q s PRO 91 CO -0.04 -0.46 1.12 0.95 0.04 0.00 0.00 177.00 178.61 1m4q s THR 92 N 2.08 2.88 0.31 1.26 -4.23 -1.26 -4.88 115.64 111.80 1m4q s THR 92 Ca 0.59 0.29 0.04 0.00 -1.18 0.00 0.00 61.69 61.43 1m4q s THR 92 Cb -0.28 -3.19 0.30 0.00 1.34 0.00 0.00 72.50 70.67 1m4q s THR 92 CO 0.25 -0.37 1.86 0.77 -0.54 0.00 0.00 174.62 176.58 1m4q h SER 93 N -0.95 0.83 -0.19 3.99 4.64 -2.06 0.17 113.55 119.97 1m4q h SER 93 Ca -0.46 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1m4q h SER 93 Cb 1.28 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1m4q h SER 93 CO 0.63 0.45 0.00 -1.20 -0.87 0.00 0.00 176.83 175.83 1m4q n SER 94 N -4.58 1.45 -4.96 4.97 7.64 -1.26 -4.90 113.62 111.99 1m4q n SER 94 Ca 0.18 -1.76 -0.22 0.00 1.01 0.00 0.00 58.87 58.07 1m4q n SER 94 Cb 0.37 -0.12 0.01 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.76 3.10 -0.14 1.43 0.00 0.58 -3.73 119.30 118.79 1m4q s MET 95 Ca 0.28 -0.55 -0.03 0.00 0.00 0.00 0.00 55.69 55.39 1m4q s MET 95 Cb 0.15 -2.60 0.05 0.00 0.00 0.00 0.00 34.83 32.43 1m4q s MET 95 CO 0.22 -0.20 0.05 0.99 0.00 0.00 0.00 175.02 176.08 1m4q s THR 96 N -2.49 0.24 0.27 10.11 2.01 -1.10 -4.81 115.64 119.87 1m4q s THR 96 Ca 0.47 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 1m4q s THR 96 Cb -0.10 -0.68 -0.09 0.00 0.01 0.00 0.00 72.50 71.64 1m4q s THR 96 CO 0.37 -0.07 1.22 -0.63 -0.69 0.00 0.00 174.62 174.81 1m4q s ILE 97 N 2.00 3.21 -0.25 1.82 1.01 -1.26 -0.51 121.20 127.22 1m4q s ILE 97 Ca 0.02 1.14 -0.08 0.00 0.00 0.00 0.00 60.65 61.74 1m4q s ILE 97 Cb -0.15 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1m4q s ILE 97 CO -0.07 0.24 0.08 -0.75 0.00 0.00 0.00 174.94 174.44 1m4q s LYS 98 N -1.13 3.69 0.19 2.79 2.36 0.77 -4.85 119.74 123.56 1m4q s LYS 98 Ca 0.49 -0.46 -0.30 0.00 -2.55 0.00 0.00 55.97 53.15 1m4q s LYS 98 Cb -0.35 -3.35 -0.09 0.00 -1.05 0.00 0.00 37.83 32.99 1m4q s LYS 98 CO 0.44 -0.17 1.28 0.95 1.55 0.00 0.00 175.35 179.39 1m4q s THR 99 N 1.59 3.30 0.14 3.43 -4.23 -1.26 -4.74 115.64 113.86 1m4q s THR 99 Ca 0.06 1.08 -0.24 0.00 -1.18 0.00 0.00 61.69 61.41 1m4q s THR 99 Cb -0.15 -3.69 0.08 0.00 1.34 0.00 0.00 72.50 70.08 1m4q s THR 99 CO 0.04 0.16 1.09 -0.83 -0.54 0.00 0.00 174.62 174.54 1m4q s GLY 100 N 0.29 0.00 0.64 3.99 0.00 -0.39 -4.96 107.32 106.88 1m4q s GLY 100 Ca 0.56 -0.15 0.33 0.00 0.00 0.00 0.00 44.72 45.45 1m4q s GLY 100 CO 0.38 2.50 2.05 0.50 0.00 0.00 0.00 173.10 178.53 1m4q h LYS 101 N 2.00 0.00 -0.01 2.90 1.57 -1.99 0.25 116.57 121.30 1m4q h LYS 101 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1m4q h LYS 101 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1m4q h LYS 101 CO 0.34 0.00 -0.43 0.72 -0.57 0.00 0.00 179.45 179.51 1m4q n HIS 102 N -3.22 0.00 -3.67 -1.35 8.25 -1.26 -4.29 115.22 109.67 1m4q n HIS 102 Ca -0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1m4q n HIS 102 Cb 0.33 -0.09 -0.08 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.60 0.00 -0.04 1.59 1.01 0.89 -2.19 120.40 119.06 1m4q s VAL 103 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1m4q s VAL 103 Cb 0.18 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 1m4q s VAL 103 CO 0.59 -0.01 -0.02 0.44 0.00 0.00 0.00 175.10 176.10 1m4q h ASP 104 N 4.99 0.00 0.00 3.32 5.19 -1.75 -1.03 116.42 127.14 1m4q h ASP 104 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1m4q h ASP 104 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1m4q h ASP 104 CO 0.17 0.19 0.00 0.00 -3.12 0.00 0.00 179.24 176.48 1m4q n ALA 105 N -2.44 0.00 -1.05 3.45 0.00 -1.26 -4.62 120.51 114.58 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -5.01 115.26 114.14 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 3.23 3.77 8.20 0.00 -1.26 -4.88 105.19 114.24 1m4q n GLY 107 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.48 4.04 -0.14 1.61 -2.85 -1.26 0.53 119.74 121.19 1m4q s LYS 108 Ca 0.00 1.88 -0.28 0.00 -1.00 0.00 0.00 55.97 56.57 1m4q s LYS 108 Cb 0.00 -2.68 -0.01 0.00 -2.06 0.00 0.00 37.83 33.08 1m4q s LYS 108 CO 0.00 -0.35 0.93 0.42 0.10 0.00 0.00 175.35 176.45 1m4q s ILE 109 N -1.39 4.82 -0.14 3.79 1.01 0.71 -4.32 121.20 125.67 1m4q s ILE 109 Ca 0.57 1.86 0.18 0.00 0.00 0.00 0.00 60.65 63.26 1m4q s ILE 109 Cb -0.32 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 37.68 1m4q s ILE 109 CO 0.40 0.00 0.33 0.00 0.00 0.00 0.00 174.94 175.68 1m4q n TYR 110 N 5.18 0.30 -1.48 3.97 9.36 -0.93 -4.82 117.16 128.74 1m4q n TYR 110 Ca 0.07 0.11 -0.47 0.00 3.32 0.00 0.00 57.90 60.93 1m4q n TYR 110 Cb 0.49 -0.97 -0.07 0.00 -0.63 0.00 0.00 39.34 38.16 1m4q n TYR 110 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1m4q n LEU 111 N -2.75 2.03 -4.48 2.98 -0.00 -1.26 -4.81 117.00 108.71 1m4q n LEU 111 Ca -0.23 0.21 -0.31 0.00 -0.00 0.00 0.00 56.01 55.69 1m4q n LEU 111 Cb 1.01 -1.30 -0.06 0.00 -0.00 0.00 0.00 43.42 43.08 1m4q n LEU 111 CO 0.44 -0.87 1.61 -0.81 -0.00 0.00 0.00 177.39 177.75 1m4q n PRO 112 N 8.41 1.73 0.08 1.96 -0.04 -1.26 -4.74 135.00 141.14 1m4q n PRO 112 Ca 0.43 -2.48 -0.13 0.00 -0.04 0.00 0.00 63.50 61.28 1m4q n PRO 112 Cb 0.28 -3.63 -0.08 0.00 -0.04 0.00 0.00 33.50 30.02 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 9.33 -0.20 -0.16 0.54 0.05 -1.98 -2.74 116.97 121.81 1m4q h TYR 113 Ca 0.26 -0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.86 1m4q h TYR 113 Cb 0.90 0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 1m4q h TYR 113 CO 1.23 0.15 -0.60 1.25 -1.05 0.00 0.00 178.16 179.13 1m4q h LEU 114 N -0.58 0.60 -2.06 3.88 5.85 -1.93 -1.45 115.31 119.62 1m4q h LEU 114 Ca -0.02 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1m4q h LEU 114 Cb 0.44 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1m4q h LEU 114 CO 0.04 1.06 0.00 -0.74 -0.34 0.00 0.00 178.44 178.46 1m4q h HIS 115 N 0.40 0.00 0.00 1.25 2.76 -1.93 -3.31 115.15 114.31 1m4q h HIS 115 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1m4q h HIS 115 Cb 1.16 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1m4q h HIS 115 CO 0.05 0.00 -0.24 -1.91 -1.30 0.00 0.00 177.93 174.52 1m4q n GLU 116 N -2.78 0.13 0.00 5.26 2.13 -1.03 -4.99 120.64 119.36 1m4q n GLU 116 Ca -0.01 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1m4q n GLU 116 Cb 0.12 -0.68 0.00 0.00 0.27 0.00 0.00 31.44 31.15 1m4q n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4q n TRP 117 N -3.02 0.00 -3.38 4.31 -0.00 -0.57 -4.95 117.44 109.84 1m4q n TRP 117 Ca -0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.31 1m4q n TRP 117 Cb 0.13 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.47 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 -1.54 0.05 5.87 4.81 -1.25 -4.93 118.16 121.17 1m4q n LYS 118 Ca 0.00 0.95 -0.14 0.00 -0.87 0.00 0.00 58.31 58.25 1m4q n LYS 118 Cb 0.00 -4.85 -0.04 0.00 0.02 0.00 0.00 35.03 30.16 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 -0.69 0.71 0.16 5.64 2.76 -1.92 -3.47 115.15 118.34 1m4q h HIS 119 Ca -0.42 -0.36 -0.01 0.00 -2.20 0.00 0.00 60.37 57.37 1m4q h HIS 119 Cb 1.23 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1m4q h HIS 119 CO 0.27 1.17 -0.08 -1.35 -1.30 0.00 0.00 177.93 176.64 1m4q h PRO 120 N 0.30 -0.21 0.00 5.26 0.11 -1.97 -3.51 132.00 131.98 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 1.52 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.68 1m4q h PRO 120 CO 0.16 -0.14 0.00 0.94 -0.21 0.00 0.00 178.00 178.75 1m4q n GLN 121 N -3.02 0.00 -2.93 1.05 0.00 -1.26 -4.93 117.38 106.29 1m4q n GLN 121 Ca -0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.57 1m4q n GLN 121 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.28 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 7.29 0.58 1.69 0.15 -1.26 -5.07 113.70 117.09 1m4q s SER 122 Ca 0.00 1.54 0.09 0.00 0.70 0.00 0.00 55.95 58.28 1m4q s SER 122 Cb 0.00 -2.50 0.09 0.00 -1.71 0.00 0.00 66.02 61.90 1m4q s SER 122 CO 0.00 0.03 0.75 0.47 1.20 0.00 0.00 173.24 175.69 1m4q n ASP 123 N 2.64 2.24 -0.34 5.45 8.00 -1.26 -4.85 116.55 128.43 1m4q n ASP 123 Ca -0.02 -2.62 0.13 0.00 0.71 0.00 0.00 54.79 53.00 1m4q n ASP 123 Cb 0.50 -0.37 0.33 0.00 -0.02 0.00 0.00 41.12 41.55 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1m4q h LEU 124 N 0.00 0.70 0.19 0.64 7.12 -1.97 0.21 115.31 122.19 1m4q h LEU 124 Ca -0.29 0.11 -0.01 0.00 0.13 0.00 0.00 57.88 57.82 1m4q h LEU 124 Cb 1.27 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.40 1m4q h LEU 124 CO 0.42 0.21 -0.09 -0.07 -0.13 0.00 0.00 178.44 178.78 1m4q h LEU 125 N 0.68 -0.21 -1.94 2.25 4.07 -1.94 -3.10 115.31 115.12 1m4q h LEU 125 Ca 0.58 -0.28 0.03 0.00 0.08 0.00 0.00 57.88 58.30 1m4q h LEU 125 Cb 0.97 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1m4q h LEU 125 CO -0.42 0.20 0.11 1.23 -1.08 0.00 0.00 178.44 178.48 1m4q h GLY 126 N -0.66 0.09 0.37 0.83 0.00 -1.70 -2.06 103.07 99.94 1m4q h GLY 126 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1m4q h GLY 126 CO 0.04 0.03 -0.22 -2.00 0.00 0.00 0.00 176.54 174.39 1m4q h LEU 127 N 0.08 -0.55 -2.01 3.11 6.46 -0.54 -2.40 115.31 119.47 1m4q h LEU 127 Ca 0.07 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.92 1m4q h LEU 127 Cb 0.19 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1m4q h LEU 127 CO -0.01 -0.34 0.16 0.40 -0.62 0.00 0.00 178.44 178.03 1m4q h ILE 128 N -0.55 0.88 -0.63 4.05 5.03 -1.48 -1.57 117.51 123.24 1m4q h ILE 128 Ca -0.05 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.74 1m4q h ILE 128 Cb 0.44 0.89 -0.05 0.00 -3.03 0.00 0.00 36.82 35.06 1m4q h ILE 128 CO 0.06 0.00 0.34 -0.61 -0.68 0.00 0.00 178.15 177.26 1m4q h GLN 129 N 0.00 0.62 -0.19 2.37 4.15 -1.08 0.28 115.11 121.26 1m4q h GLN 129 Ca 0.10 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1m4q h GLN 129 Cb 0.42 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1m4q h GLN 129 CO -0.00 0.41 0.05 0.28 -1.93 0.00 0.00 178.83 177.64 1m4q h VAL 130 N 0.64 1.20 -0.50 2.39 2.07 -0.79 -0.07 116.25 121.20 1m4q h VAL 130 Ca 0.28 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1m4q h VAL 130 Cb 0.17 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1m4q h VAL 130 CO -0.17 0.20 0.33 -0.03 0.02 0.00 0.00 177.57 177.91 1m4q h MET 131 N 0.13 0.51 -0.35 1.57 4.05 -1.24 1.00 114.93 120.60 1m4q h MET 131 Ca 0.06 -0.03 -0.16 0.00 -0.28 0.00 0.00 59.70 59.29 1m4q h MET 131 Cb 0.25 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1m4q h MET 131 CO -0.00 0.34 -0.39 0.82 0.23 0.00 0.00 176.91 177.91 1m4q h ILE 132 N 0.53 1.28 0.15 1.77 2.04 0.05 0.16 117.51 123.48 1m4q h ILE 132 Ca 0.20 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1m4q h ILE 132 Cb 0.16 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1m4q h ILE 132 CO -0.05 0.52 -0.07 0.58 0.00 0.00 0.00 178.15 179.12 1m4q h VAL 133 N 0.68 0.98 0.11 1.67 2.07 0.19 0.57 116.25 122.52 1m4q h VAL 133 Ca 0.05 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1m4q h VAL 133 Cb 0.98 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1m4q h VAL 133 CO 0.09 0.15 -0.07 0.58 0.02 0.00 0.00 177.57 178.34 1m4q h VAL 134 N -0.51 0.84 0.00 2.57 2.07 -0.90 -1.67 116.25 118.66 1m4q h VAL 134 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1m4q h VAL 134 Cb 0.40 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1m4q h VAL 134 CO 0.03 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.36 1m4q h PHE 135 N -0.18 0.00 -0.83 1.57 -1.00 -0.99 -0.71 116.94 114.80 1m4q h PHE 135 Ca -0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1m4q h PHE 135 Cb 0.16 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.68 1m4q h PHE 135 CO -0.09 0.00 0.42 0.78 -1.61 0.00 0.00 178.31 177.81 1m4q h GLY 136 N 1.35 1.27 0.00 -1.45 0.00 0.12 -3.32 103.07 101.04 1m4q h GLY 136 Ca 0.00 -0.61 -0.36 0.00 0.00 0.00 0.00 47.33 46.36 1m4q h GLY 136 CO 0.00 0.58 -2.34 1.22 0.00 0.00 0.00 176.54 176.00 1m4q n ASP 137 N -4.35 2.12 -4.52 0.19 9.92 -1.08 -4.13 116.55 114.70 1m4q n ASP 137 Ca 0.08 -0.06 -0.43 0.00 -0.53 0.00 0.00 54.79 53.85 1m4q n ASP 137 Cb 0.12 -0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.13 1m4q n ASP 137 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1m4q s GLU 138 N -2.46 3.33 -0.31 -1.24 2.12 -0.29 -5.01 118.70 114.83 1m4q s GLU 138 Ca -0.32 -0.29 -0.28 0.00 0.36 0.00 0.00 54.97 54.43 1m4q s GLU 138 Cb 0.09 -4.03 -0.02 0.00 0.26 0.00 0.00 34.13 30.43 1m4q s GLU 138 CO 0.52 -1.35 1.79 -1.25 -0.54 0.00 0.00 175.26 174.43 1m4q s PRO 139 N 3.61 3.40 0.10 4.30 0.04 -1.26 -4.24 135.00 140.95 1m4q s PRO 139 Ca 0.28 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 1m4q s PRO 139 Cb -0.13 -4.18 -0.21 0.00 0.04 0.00 0.00 34.50 30.02 1m4q s PRO 139 CO 0.19 -1.78 1.21 -1.00 0.04 0.00 0.00 177.00 175.67 1m4q h PRO 140 N 12.62 0.24 -1.31 0.56 0.13 -1.87 -3.43 132.00 138.94 1m4q h PRO 140 Ca -0.34 -0.36 -0.16 0.00 -0.87 0.00 0.00 66.00 64.27 1m4q h PRO 140 Cb 1.17 0.13 -0.23 0.00 0.13 0.00 0.00 31.00 32.20 1m4q h PRO 140 CO 1.02 1.14 -0.52 0.54 -0.23 0.00 0.00 178.00 179.95 1m4q s VAL 141 N -2.81 -0.78 -0.09 1.56 0.11 -1.26 -0.16 120.40 116.96 1m4q s VAL 141 Ca -0.03 -0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 58.49 1m4q s VAL 141 Cb 0.08 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1m4q s VAL 141 CO 0.87 -0.19 0.59 0.72 -3.33 0.00 0.00 175.10 173.75 1m4q s PHE 142 N 1.75 3.55 0.53 1.54 -0.71 0.33 -4.60 117.98 120.38 1m4q s PHE 142 Ca 0.16 1.07 -0.03 0.00 -1.04 0.00 0.00 56.93 57.09 1m4q s PHE 142 Cb -0.08 -2.67 0.01 0.00 -1.21 0.00 0.00 43.02 39.07 1m4q s PHE 142 CO -0.07 0.14 0.80 0.45 -1.34 0.00 0.00 175.22 175.21 1m4q s SER 143 N 0.65 5.66 0.47 1.98 0.15 -1.26 -2.71 113.70 118.65 1m4q s SER 143 Ca 0.32 0.50 -0.21 0.00 0.70 0.00 0.00 55.95 57.26 1m4q s SER 143 Cb -0.16 -1.58 -0.09 0.00 -1.71 0.00 0.00 66.02 62.47 1m4q s SER 143 CO 0.14 -0.93 1.03 -0.13 1.20 0.00 0.00 173.24 174.55 1m4q s ARG 144 N -4.81 3.89 0.00 5.44 1.81 -1.24 -4.89 118.95 119.15 1m4q s ARG 144 Ca 0.52 1.34 0.16 0.00 -1.72 0.00 0.00 55.73 56.03 1m4q s ARG 144 Cb -0.10 -2.14 0.98 0.00 -0.45 0.00 0.00 34.95 33.23 1m4q s ARG 144 CO 0.42 -0.35 1.39 -0.35 -0.68 0.00 0.00 175.30 175.72