#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 0.47 0.45 0.00 3.14 -1.26 -4.33 118.33 116.80 1m4q n VAL 3 Ca 0.00 -0.55 0.13 0.00 -2.96 0.00 0.00 64.34 60.96 1m4q n VAL 3 Cb 0.00 -0.17 0.36 0.00 -1.06 0.00 0.00 33.84 32.98 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 -2.04 -3.30 113.55 115.01 1m4q h SER 4 Ca -0.18 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.48 1m4q h SER 4 Cb 1.33 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.21 1m4q h SER 4 CO 0.01 0.00 0.20 -0.08 -0.53 0.00 0.00 176.83 176.43 1m4q h GLU 5 N 0.00 0.34 -0.29 2.24 4.81 -1.99 0.71 114.58 120.41 1m4q h GLU 5 Ca 0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1m4q h GLU 5 Cb 0.76 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1m4q h GLU 5 CO 0.00 0.23 0.17 0.77 -0.73 0.00 0.00 179.01 179.45 1m4q h SER 6 N 0.35 0.28 0.69 1.04 0.02 -1.86 -2.11 113.55 111.97 1m4q h SER 6 Ca 0.33 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 1m4q h SER 6 Cb 0.45 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1m4q h SER 6 CO -0.36 0.21 -0.38 -0.61 -1.14 0.00 0.00 176.83 174.55 1m4q h GLN 7 N 0.35 0.00 -0.01 3.45 5.75 -1.47 -3.16 115.11 120.03 1m4q h GLN 7 Ca 0.11 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1m4q h GLN 7 Cb -0.01 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1m4q h GLN 7 CO -0.04 0.38 -0.05 1.25 -2.65 0.00 0.00 178.83 177.71 1m4q h LEU 8 N 0.00 -0.14 -0.72 -2.39 5.85 0.11 0.12 115.31 118.15 1m4q h LEU 8 Ca -0.00 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.83 1m4q h LEU 8 Cb 0.82 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1m4q h LEU 8 CO 0.05 -0.07 0.37 0.50 -0.34 0.00 0.00 178.44 178.94 1m4q h LYS 9 N -0.08 0.61 0.00 1.25 3.64 -1.46 0.32 116.57 120.85 1m4q h LYS 9 Ca 0.02 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1m4q h LYS 9 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1m4q h LYS 9 CO -0.06 0.41 -0.27 0.87 -2.27 0.00 0.00 179.45 178.13 1m4q h LYS 10 N 0.63 0.00 0.00 1.90 1.57 -1.52 -2.81 116.57 116.34 1m4q h LYS 10 Ca 0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1m4q h LYS 10 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1m4q h LYS 10 CO -0.25 0.27 -0.01 0.52 -0.57 0.00 0.00 179.45 179.41 1m4q h MET 11 N 0.00 0.00 0.00 3.15 2.86 0.15 -3.36 114.93 117.73 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 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 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 -3.38 0.00 -2.32 -2.22 0.24 -1.07 -4.95 118.33 104.62 1m4q n VAL 12 Ca -0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.12 1m4q n VAL 12 Cb 0.11 -0.77 -0.01 0.00 -1.47 0.00 0.00 33.84 31.69 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 -1.10 -4.53 0.00 -1.34 7.64 -1.13 -4.68 113.62 108.48 1m4q n SER 13 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1m4q n SER 13 Cb 0.00 -3.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 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 -2.78 0.00 -1.37 1.43 5.02 -1.26 -5.13 118.16 114.07 1m4q n LYS 14 Ca -0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.81 1m4q n LYS 14 Cb 0.62 -0.14 0.09 0.00 -0.02 0.00 0.00 35.03 35.58 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 2.69 0.31 2.13 2.02 -1.26 -4.94 117.35 118.30 1m4q s TYR 15 Ca 0.00 1.39 0.00 0.00 -0.37 0.00 0.00 57.07 58.09 1m4q s TYR 15 Cb 0.00 -3.05 0.51 0.00 -0.40 0.00 0.00 41.96 39.02 1m4q s TYR 15 CO 0.00 -1.79 1.92 -0.22 -1.57 0.00 0.00 175.55 173.88 1m4q h LYS 16 N -1.12 0.84 -2.08 -0.62 1.63 -1.96 -3.32 116.57 109.93 1m4q h LYS 16 Ca -0.45 -0.11 -0.56 0.00 -0.85 0.00 0.00 60.65 58.67 1m4q h LYS 16 Cb 1.24 -0.16 -0.38 0.00 -0.60 0.00 0.00 32.23 32.33 1m4q h LYS 16 CO 0.55 0.66 -1.06 0.66 -3.45 0.00 0.00 179.45 176.80 1m4q n TYR 17 N -4.35 -0.58 -0.19 1.91 4.01 -1.26 -4.99 117.16 111.70 1m4q n TYR 17 Ca 0.05 -3.46 -0.02 0.00 -0.16 0.00 0.00 57.90 54.31 1m4q n TYR 17 Cb 0.13 -0.15 0.05 0.00 -0.31 0.00 0.00 39.34 39.06 1m4q n TYR 17 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1m4q h ARG 18 N 4.48 -0.02 0.38 -0.72 3.08 -1.96 0.94 114.38 120.56 1m4q h ARG 18 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1m4q h ARG 18 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1m4q h ARG 18 CO 0.43 -0.01 -0.29 -0.44 -1.07 0.00 0.00 179.97 178.59 1m4q h ASP 19 N -0.02 -0.74 0.44 7.04 3.32 -1.94 0.76 116.42 125.27 1m4q h ASP 19 Ca 0.28 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1m4q h ASP 19 Cb 0.45 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1m4q h ASP 19 CO -0.61 -0.43 -0.09 0.25 -1.72 0.00 0.00 179.24 176.63 1m4q h LEU 20 N -0.67 0.00 0.06 1.55 5.85 -1.79 -1.08 115.31 119.24 1m4q h LEU 20 Ca -0.03 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1m4q h LEU 20 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1m4q h LEU 20 CO 0.00 0.09 -0.57 0.74 -0.34 0.00 0.00 178.44 178.37 1m4q h THR 21 N 0.00 1.53 -0.31 1.05 2.02 0.16 -2.97 112.91 114.38 1m4q h THR 21 Ca -0.00 -2.41 -0.01 0.00 0.77 0.00 0.00 66.41 64.77 1m4q h THR 21 Cb 0.34 3.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.87 1m4q h THR 21 CO 0.01 0.63 0.17 0.58 0.37 0.00 0.00 175.52 177.28 1m4q h VAL 22 N -0.70 1.14 -0.58 3.16 2.07 0.69 -1.10 116.25 120.93 1m4q h VAL 22 Ca -0.12 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.03 1m4q h VAL 22 Cb 1.34 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1m4q h VAL 22 CO 0.04 0.14 0.38 -0.09 0.02 0.00 0.00 177.57 178.06 1m4q h ARG 23 N 0.38 0.74 -0.57 1.57 2.43 -1.34 -1.26 114.38 116.33 1m4q h ARG 23 Ca 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1m4q h ARG 23 Cb 0.08 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1m4q h ARG 23 CO -0.02 0.49 0.29 0.93 -1.51 0.00 0.00 179.97 180.15 1m4q h GLU 24 N 0.76 0.81 0.84 0.20 4.39 -1.33 -0.98 114.58 119.28 1m4q h GLU 24 Ca 0.22 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1m4q h GLU 24 Cb -0.06 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1m4q h GLU 24 CO -0.06 0.65 -0.44 1.15 -1.16 0.00 0.00 179.01 179.15 1m4q h THR 25 N 0.77 0.11 -0.82 1.13 2.02 -0.78 -2.26 112.91 113.08 1m4q h THR 25 Ca 0.20 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.49 1m4q h THR 25 Cb 0.09 0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 66.54 1m4q h THR 25 CO -0.03 0.00 0.45 -0.37 0.37 0.00 0.00 175.52 175.94 1m4q h VAL 26 N -1.17 0.85 -0.95 3.16 -1.51 -1.21 -1.23 116.25 114.19 1m4q h VAL 26 Ca -0.11 -0.25 0.09 0.00 -1.23 0.00 0.00 66.70 65.20 1m4q h VAL 26 Cb 0.91 0.06 -0.07 0.00 -2.13 0.00 0.00 31.29 30.06 1m4q h VAL 26 CO 0.17 0.13 0.60 0.78 -1.23 0.00 0.00 177.57 178.02 1m4q h ASN 27 N 0.72 0.90 -0.05 4.19 4.21 -1.01 0.88 115.58 125.42 1m4q h ASN 27 Ca 0.41 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.95 1m4q h ASN 27 Cb 0.45 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1m4q h ASN 27 CO -0.28 0.53 0.02 0.58 -1.29 0.00 0.00 177.43 176.99 1m4q h VAL 28 N 1.01 1.14 -0.04 2.81 2.07 -0.63 -1.64 116.25 120.97 1m4q h VAL 28 Ca 0.45 -0.40 -0.16 0.00 0.82 0.00 0.00 66.70 67.41 1m4q h VAL 28 Cb 0.34 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1m4q h VAL 28 CO -0.22 0.11 -0.67 0.16 0.02 0.00 0.00 177.57 176.97 1m4q h ILE 29 N -0.07 1.43 0.00 4.57 3.07 -1.11 -1.64 117.51 123.75 1m4q h ILE 29 Ca 0.02 -2.17 -0.05 0.00 1.55 0.00 0.00 64.86 64.21 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 0.64 -0.24 0.74 -1.05 0.00 0.00 178.15 178.23 1m4q h THR 30 N 0.13 0.79 0.09 0.16 2.02 0.89 0.89 112.91 117.88 1m4q h THR 30 Ca -0.01 -0.97 -0.33 0.00 0.77 0.00 0.00 66.41 65.87 1m4q h THR 30 Cb 1.20 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 1m4q h THR 30 CO 0.10 0.23 -1.78 -0.11 0.37 0.00 0.00 175.52 174.33 1m4q n LEU 31 N -3.70 2.40 -0.05 2.58 7.94 -0.63 -4.51 117.00 121.03 1m4q n LEU 31 Ca -0.01 0.28 -0.16 0.00 -1.11 0.00 0.00 56.01 55.01 1m4q n LEU 31 Cb 0.35 -1.08 -0.13 0.00 0.53 0.00 0.00 43.42 43.09 1m4q n LEU 31 CO 0.34 0.68 0.26 1.88 -1.11 0.00 0.00 177.39 179.44 1m4q h TYR 32 N -0.25 0.11 0.00 1.96 0.05 -1.27 -3.48 116.97 114.09 1m4q h TYR 32 Ca -0.40 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.29 1m4q h TYR 32 Cb 1.82 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.55 1m4q h TYR 32 CO 0.08 1.10 0.00 0.36 -1.05 0.00 0.00 178.16 178.65 1m4q n LYS 33 N -4.50 -0.02 -0.01 4.88 2.85 0.31 -4.78 118.16 116.89 1m4q n LYS 33 Ca -0.12 0.01 0.01 0.00 -1.05 0.00 0.00 58.31 57.15 1m4q n LYS 33 Cb 0.56 -2.79 -0.05 0.00 -0.65 0.00 0.00 35.03 32.10 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 -0.01 3.53 -4.89 -5.58 8.00 -1.26 -5.03 116.55 111.31 1m4q n ASP 34 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1m4q n ASP 34 Cb 0.01 1.03 -0.02 0.00 -0.02 0.00 0.00 41.12 42.11 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1m4q s LEU 35 N -3.86 3.79 -0.15 0.64 2.96 -1.26 -3.68 118.68 117.13 1m4q s LEU 35 Ca -0.03 1.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.82 1m4q s LEU 35 Cb 0.03 -3.93 0.05 0.00 0.50 0.00 0.00 46.19 42.84 1m4q s LEU 35 CO 0.26 -0.43 0.37 -0.54 -1.32 0.00 0.00 176.35 174.69 1m4q s LYS 36 N -4.07 0.39 0.02 1.98 1.02 0.28 -4.66 119.74 114.70 1m4q s LYS 36 Ca 0.49 0.62 -0.30 0.00 0.02 0.00 0.00 55.97 56.81 1m4q s LYS 36 Cb -0.10 0.08 -0.07 0.00 -0.52 0.00 0.00 37.83 37.21 1m4q s LYS 36 CO 0.35 -0.11 1.65 -1.25 -0.92 0.00 0.00 175.35 175.08 1m4q s PRO 37 N 0.80 4.20 -0.04 -1.68 0.04 -1.26 -1.54 135.00 135.52 1m4q s PRO 37 Ca -0.05 2.27 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 1m4q s PRO 37 Cb -0.06 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 1m4q s PRO 37 CO -0.06 -0.77 0.02 0.54 0.04 0.00 0.00 177.00 176.77 1m4q s VAL 38 N 3.24 4.39 0.20 -0.36 0.11 0.30 -4.92 120.40 123.35 1m4q s VAL 38 Ca 0.74 -0.40 -0.10 0.00 -2.93 0.00 0.00 61.98 59.28 1m4q s VAL 38 Cb -0.37 -2.93 -0.07 0.00 -1.53 0.00 0.00 36.38 31.48 1m4q s VAL 38 CO 0.31 0.46 0.53 -0.22 -3.33 0.00 0.00 175.10 172.85 1m4q s LEU 39 N -1.34 4.22 0.17 2.54 1.98 -1.26 0.19 118.68 125.18 1m4q s LEU 39 Ca 0.18 0.92 -0.21 0.00 -2.89 0.00 0.00 54.13 52.13 1m4q s LEU 39 Cb -0.12 -3.53 0.05 0.00 0.66 0.00 0.00 46.19 43.25 1m4q s LEU 39 CO 0.08 -0.01 0.56 -1.81 -1.89 0.00 0.00 176.35 173.28 1m4q s ASP 40 N -2.20 -0.43 -0.29 3.68 1.01 -0.89 -4.88 116.67 112.68 1m4q s ASP 40 Ca 0.44 -0.19 -0.15 0.00 0.71 0.00 0.00 52.55 53.35 1m4q s ASP 40 Cb -0.12 0.58 0.12 0.00 1.01 0.00 0.00 42.92 44.51 1m4q s ASP 40 CO 0.21 -1.00 0.84 -0.55 0.21 0.00 0.00 175.17 174.88 1m4q s SER 41 N -2.80 -0.74 0.19 0.27 0.15 -1.26 -0.55 113.70 108.97 1m4q s SER 41 Ca 0.04 1.15 -0.00 0.00 0.70 0.00 0.00 55.95 57.83 1m4q s SER 41 Cb -0.01 1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 65.66 1m4q s SER 41 CO -0.09 -0.18 0.10 -0.47 1.20 0.00 0.00 173.24 173.80 1m4q s TYR 42 N 1.66 1.16 0.22 3.44 5.04 -1.16 -4.79 117.35 122.93 1m4q s TYR 42 Ca -0.09 -1.30 -0.19 0.00 -2.44 0.00 0.00 57.07 53.06 1m4q s TYR 42 Cb -0.05 -0.61 -0.08 0.00 0.35 0.00 0.00 41.96 41.57 1m4q s TYR 42 CO -0.17 -0.54 0.71 0.14 -1.34 0.00 0.00 175.55 174.35 1m4q s VAL 43 N -4.04 4.59 0.11 3.14 -7.23 -1.26 -0.02 120.40 115.69 1m4q s VAL 43 Ca 0.35 1.24 0.00 0.00 -1.81 0.00 0.00 61.98 61.76 1m4q s VAL 43 Cb 0.07 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1m4q s VAL 43 CO 0.10 0.19 0.00 0.49 -0.31 0.00 0.00 175.10 175.57 1m4q n PHE 44 N 0.67 -1.57 -1.51 2.82 3.72 -1.08 -4.72 117.46 115.80 1m4q n PHE 44 Ca -0.02 0.26 -0.13 0.00 -0.05 0.00 0.00 57.45 57.50 1m4q n PHE 44 Cb 0.51 0.88 -0.10 0.00 -0.94 0.00 0.00 39.48 39.83 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 -2.79 0.96 -1.92 4.37 3.02 -1.26 -2.84 115.26 114.80 1m4q n ASN 45 Ca 0.00 -1.77 -0.13 0.00 -0.03 0.00 0.00 54.58 52.65 1m4q n ASN 45 Cb 0.00 -1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 37.65 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 16.68 -3.85 -0.39 6.41 9.92 -1.26 -3.45 116.55 140.61 1m4q n ASP 46 Ca 0.43 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 1m4q n ASP 46 Cb 0.42 -3.41 0.00 0.00 -0.64 0.00 0.00 41.12 37.49 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 -0.54 0.44 3.21 0.44 0.00 -1.13 -5.13 105.19 102.48 1m4q n GLY 47 Ca -0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.15 -0.91 0.37 1.61 0.15 -1.22 -4.85 113.70 107.70 1m4q s SER 48 Ca 0.00 0.89 -0.25 0.00 0.70 0.00 0.00 55.95 57.30 1m4q s SER 48 Cb 0.00 1.91 -0.13 0.00 -1.71 0.00 0.00 66.02 66.09 1m4q s SER 48 CO 0.00 -0.26 0.79 -1.54 1.20 0.00 0.00 173.24 173.43 1m4q n SER 49 N 5.42 0.23 -3.87 5.45 3.41 -1.25 -2.62 113.62 120.38 1m4q n SER 49 Ca -0.04 1.03 -0.12 0.00 -0.26 0.00 0.00 58.87 59.47 1m4q n SER 49 Cb 0.50 -1.21 -0.14 0.00 -0.26 0.00 0.00 64.21 63.10 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 -1.66 0.01 -0.09 4.33 3.52 0.97 -4.87 118.95 121.16 1m4q s ARG 50 Ca 0.62 -0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 1m4q s ARG 50 Cb -0.64 -0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.70 1m4q s ARG 50 CO 0.58 -0.00 1.55 -1.21 -0.81 0.00 0.00 175.30 175.40 1m4q s GLU 51 N 0.02 4.17 -0.17 5.12 2.02 -1.26 -2.96 118.70 125.63 1m4q s GLU 51 Ca -0.00 2.02 -0.04 0.00 0.02 0.00 0.00 54.97 56.96 1m4q s GLU 51 Cb -0.00 -3.93 0.07 0.00 0.10 0.00 0.00 34.13 30.37 1m4q s GLU 51 CO -0.00 -0.83 0.14 -1.17 0.02 0.00 0.00 175.26 173.41 1m4q s LEU 52 N 3.96 0.16 0.58 1.80 0.20 0.29 -4.99 118.68 120.67 1m4q s LEU 52 Ca 0.68 -0.40 -0.13 0.00 0.69 0.00 0.00 54.13 54.97 1m4q s LEU 52 Cb -0.30 0.01 -0.05 0.00 -0.43 0.00 0.00 46.19 45.42 1m4q s LEU 52 CO 0.25 -0.33 1.01 -0.32 -0.29 0.00 0.00 176.35 176.67 1m4q s MET 53 N 2.21 3.71 0.19 1.98 -2.45 -1.26 -2.08 119.30 121.60 1m4q s MET 53 Ca 0.04 0.81 -0.10 0.00 -1.25 0.00 0.00 55.69 55.19 1m4q s MET 53 Cb -0.16 -2.10 -0.01 0.00 1.25 0.00 0.00 34.83 33.81 1m4q s MET 53 CO -0.10 -0.47 0.33 0.54 1.05 0.00 0.00 175.02 176.37 1m4q s ASN 54 N -3.81 0.00 -0.04 1.11 4.22 0.13 -1.88 114.94 114.68 1m4q s ASN 54 Ca 0.56 -0.91 -0.04 0.00 -2.14 0.00 0.00 52.86 50.34 1m4q s ASN 54 Cb -0.11 0.47 -0.04 0.00 1.28 0.00 0.00 41.25 42.86 1m4q s ASN 54 CO 0.46 -0.95 0.17 -0.76 -2.04 0.00 0.00 177.10 173.98 1m4q s LEU 55 N -2.99 4.36 0.13 3.54 2.01 0.54 0.11 118.68 126.38 1m4q s LEU 55 Ca 0.20 0.37 -0.09 0.00 0.01 0.00 0.00 54.13 54.62 1m4q s LEU 55 Cb 0.02 -2.47 -0.00 0.00 0.01 0.00 0.00 46.19 43.75 1m4q s LEU 55 CO 0.03 0.30 0.25 0.28 1.01 0.00 0.00 176.35 178.22 1m4q s THR 56 N -1.25 0.10 0.00 5.49 -1.32 -0.59 -2.35 115.64 115.72 1m4q s THR 56 Ca 0.24 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 1m4q s THR 56 Cb -0.12 -1.63 0.00 0.00 -1.51 0.00 0.00 72.50 69.24 1m4q s THR 56 CO 0.15 -0.44 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1m4q n GLY 57 N -0.15 2.99 3.69 6.08 0.00 -1.22 0.10 105.19 116.68 1m4q n GLY 57 Ca -0.11 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.43 5.15 -0.06 2.61 -4.23 -1.24 -2.90 115.64 112.53 1m4q s THR 58 Ca 0.00 0.93 -0.14 0.00 -1.18 0.00 0.00 61.69 61.30 1m4q s THR 58 Cb 0.00 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 1m4q s THR 58 CO 0.00 0.25 0.36 -0.63 -0.54 0.00 0.00 174.62 174.06 1m4q s ILE 59 N 1.13 5.17 -0.16 2.99 1.01 0.23 -4.37 121.20 127.20 1m4q s ILE 59 Ca 0.24 0.71 -0.29 0.00 0.00 0.00 0.00 60.65 61.31 1m4q s ILE 59 Cb -0.15 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1m4q s ILE 59 CO 0.10 0.52 1.65 -2.16 0.00 0.00 0.00 174.94 175.04 1m4q s PRO 60 N -0.56 3.91 -0.39 2.79 0.04 -1.26 -0.23 135.00 139.30 1m4q s PRO 60 Ca 0.21 1.86 -0.07 0.00 0.04 0.00 0.00 61.00 63.04 1m4q s PRO 60 Cb -0.15 -4.03 0.07 0.00 0.04 0.00 0.00 34.50 30.43 1m4q s PRO 60 CO 0.10 -1.16 0.19 0.08 0.04 0.00 0.00 177.00 176.24 1m4q s VAL 61 N 4.91 3.85 0.04 -0.36 1.01 0.36 -4.92 120.40 125.29 1m4q s VAL 61 Ca 0.73 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1m4q s VAL 61 Cb -0.28 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1m4q s VAL 61 CO 0.29 -0.42 1.12 -2.16 0.00 0.00 0.00 175.10 173.93 1m4q s PRO 62 N 1.36 4.48 0.00 2.72 0.04 -1.26 -1.10 135.00 141.24 1m4q s PRO 62 Ca 0.02 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1m4q s PRO 62 Cb -0.22 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1m4q s PRO 62 CO 0.01 -0.18 0.00 0.98 0.04 0.00 0.00 177.00 177.85 1m4q n TYR 63 N 3.93 -0.36 0.10 0.56 9.36 0.23 -4.47 117.16 126.50 1m4q n TYR 63 Ca 0.08 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.48 1m4q n TYR 63 Cb 0.48 0.00 0.74 0.00 -0.63 0.00 0.00 39.34 39.93 1m4q n TYR 63 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1m4q h ARG 64 N 0.00 0.00 0.00 2.98 2.47 -1.97 -3.32 114.38 114.55 1m4q h ARG 64 Ca 0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1m4q h ARG 64 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 1m4q h ARG 64 CO 0.00 0.00 -0.12 0.41 0.56 0.00 0.00 179.97 180.82 1m4q n GLY 65 N -1.53 0.44 1.15 0.04 0.00 -1.26 -5.15 105.19 98.88 1m4q n GLY 65 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1m4q n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m4q n ASN 66 N 0.00 -0.36 -3.20 1.61 3.02 -1.25 -5.16 115.26 109.92 1m4q n ASN 66 Ca -0.11 -1.72 0.01 0.00 -0.03 0.00 0.00 54.58 52.73 1m4q n ASN 66 Cb 0.48 0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 40.36 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1m4q s THR 67 N -2.52 -0.90 0.39 3.41 2.01 -1.26 0.77 115.64 117.54 1m4q s THR 67 Ca 0.12 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1m4q s THR 67 Cb 0.00 -0.96 0.07 0.00 0.01 0.00 0.00 72.50 71.63 1m4q s THR 67 CO 0.09 -0.03 0.54 -1.22 -0.69 0.00 0.00 174.62 173.30 1m4q n TYR 68 N 5.41 -2.75 -3.97 4.92 4.02 -0.26 -4.79 117.16 119.74 1m4q n TYR 68 Ca -0.01 -1.23 -0.30 0.00 -0.01 0.00 0.00 57.90 56.34 1m4q n TYR 68 Cb 0.51 -0.38 -0.14 0.00 -0.02 0.00 0.00 39.34 39.31 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 -3.33 4.43 0.01 7.72 0.01 -1.26 -0.48 114.94 122.04 1m4q s ASN 69 Ca 0.39 -2.79 -0.30 0.00 -0.71 0.00 0.00 52.86 49.45 1m4q s ASN 69 Cb -0.03 -1.64 -0.05 0.00 0.41 0.00 0.00 41.25 39.95 1m4q s ASN 69 CO 0.25 -0.27 1.23 -0.51 -1.51 0.00 0.00 177.10 176.29 1m4q s ILE 70 N 0.02 4.05 -0.03 0.60 1.10 0.68 -4.64 121.20 122.97 1m4q s ILE 70 Ca 0.15 1.44 -0.26 0.00 -0.51 0.00 0.00 60.65 61.48 1m4q s ILE 70 Cb -0.24 -3.92 -0.04 0.00 0.15 0.00 0.00 42.46 38.41 1m4q s ILE 70 CO -0.02 0.06 0.79 -2.16 -2.11 0.00 0.00 174.94 171.49 1m4q s PRO 71 N 1.66 4.48 0.12 3.50 0.04 -1.26 0.75 135.00 144.29 1m4q s PRO 71 Ca 0.59 1.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.58 1m4q s PRO 71 Cb -0.28 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1m4q s PRO 71 CO 0.26 0.05 0.27 0.42 0.04 0.00 0.00 177.00 178.04 1m4q s ILE 72 N 0.77 0.10 -0.25 0.56 1.01 -1.14 -2.16 121.20 120.09 1m4q s ILE 72 Ca 0.42 -1.14 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 1m4q s ILE 72 Cb -0.19 -1.49 0.08 0.00 0.01 0.00 0.00 42.46 40.87 1m4q s ILE 72 CO 0.22 -0.46 0.61 0.00 0.00 0.00 0.00 174.94 175.30 1m4q s LEU 74 N 1.69 2.07 0.01 0.00 2.34 -0.99 -2.68 118.68 121.11 1m4q s LEU 74 Ca -0.09 -0.25 -0.29 0.00 0.06 0.00 0.00 54.13 53.56 1m4q s LEU 74 Cb -0.07 0.11 -0.04 0.00 -0.56 0.00 0.00 46.19 45.64 1m4q s LEU 74 CO -0.18 -0.17 0.92 0.26 -1.06 0.00 0.00 176.35 176.12 1m4q s TRP 75 N -0.81 3.68 -0.55 3.48 0.52 -1.17 -0.34 118.94 123.75 1m4q s TRP 75 Ca -0.09 1.63 -0.18 0.00 0.02 0.00 0.00 56.10 57.49 1m4q s TRP 75 Cb -0.06 -3.04 0.10 0.00 -1.15 0.00 0.00 33.47 29.33 1m4q s TRP 75 CO -0.00 0.06 0.59 -1.17 0.02 0.00 0.00 176.95 176.45 1m4q s LEU 76 N 0.75 5.60 0.99 2.99 2.96 -0.79 -4.59 118.68 126.59 1m4q s LEU 76 Ca 0.48 -1.46 -0.12 0.00 -0.22 0.00 0.00 54.13 52.81 1m4q s LEU 76 Cb -0.21 -2.28 0.18 0.00 0.50 0.00 0.00 46.19 44.38 1m4q s LEU 76 CO 0.26 -0.95 1.09 -0.76 -1.32 0.00 0.00 176.35 174.68 1m4q s LEU 77 N 2.22 1.69 0.05 -0.68 1.43 -1.26 -4.51 118.68 117.61 1m4q s LEU 77 Ca 0.08 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 54.11 1m4q s LEU 77 Cb -0.25 -3.44 -0.18 0.00 0.03 0.00 0.00 46.19 42.35 1m4q s LEU 77 CO 0.06 -3.07 1.47 -2.24 0.23 0.00 0.00 176.35 172.80 1m4q h ASP 78 N -1.85 -0.66 0.00 2.29 2.03 -1.98 -3.46 116.42 112.80 1m4q h ASP 78 Ca -0.54 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 1m4q h ASP 78 Cb 1.32 0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1m4q h ASP 78 CO 0.57 -0.39 0.00 1.07 -1.03 0.00 0.00 179.24 179.46 1m4q n THR 79 N -5.38 0.00 -3.79 1.15 5.66 -1.26 -4.53 114.28 106.13 1m4q n THR 79 Ca -0.12 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.74 1m4q n THR 79 Cb 0.34 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.97 1m4q n THR 79 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1m4q s TYR 80 N 0.00 -0.10 0.03 1.09 5.04 -1.26 -4.09 117.35 118.06 1m4q s TYR 80 Ca 0.00 0.33 0.22 0.00 -2.44 0.00 0.00 57.07 55.18 1m4q s TYR 80 Cb 0.00 -0.07 0.69 0.00 0.35 0.00 0.00 41.96 42.94 1m4q s TYR 80 CO 0.00 -0.11 1.73 -1.35 -1.34 0.00 0.00 175.55 174.48 1m4q h PRO 81 N 6.79 0.00 0.00 4.97 0.11 -2.01 -3.42 132.00 138.44 1m4q h PRO 81 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1m4q h PRO 81 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1m4q h PRO 81 CO 0.45 0.27 0.00 0.98 -0.21 0.00 0.00 178.00 179.49 1m4q n TYR 82 N -3.34 -0.04 -3.96 0.65 4.19 -1.26 -5.16 117.16 108.25 1m4q n TYR 82 Ca 0.01 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 61.12 1m4q n TYR 82 Cb 0.50 0.01 -0.07 0.00 0.49 0.00 0.00 39.34 40.28 1m4q n TYR 82 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1m4q s ASN 83 N -1.21 -0.01 -0.28 2.98 -0.87 -1.26 -4.84 114.94 109.45 1m4q s ASN 83 Ca 0.00 -0.86 -0.28 0.00 -1.57 0.00 0.00 52.86 50.14 1m4q s ASN 83 Cb 0.00 0.47 -0.03 0.00 -0.02 0.00 0.00 41.25 41.67 1m4q s ASN 83 CO 0.00 -0.95 1.95 -2.16 -2.57 0.00 0.00 177.10 173.37 1m4q s PRO 84 N -3.98 3.29 0.13 -0.60 0.04 -1.26 -4.81 135.00 127.81 1m4q s PRO 84 Ca 0.18 1.67 0.06 0.00 0.04 0.00 0.00 61.00 62.96 1m4q s PRO 84 Cb 0.02 -4.25 -0.17 0.00 0.04 0.00 0.00 34.50 30.14 1m4q s PRO 84 CO 0.02 -1.91 1.30 -1.00 0.04 0.00 0.00 177.00 175.44 1m4q h PRO 85 N 13.56 0.02 -6.20 0.56 0.13 -1.91 -3.44 132.00 134.72 1m4q h PRO 85 Ca -0.37 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 64.16 1m4q h PRO 85 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1m4q h PRO 85 CO 1.00 0.98 1.29 0.42 -0.23 0.00 0.00 178.00 181.47 1m4q s ILE 86 N -2.78 3.30 -0.13 -3.56 1.09 -1.26 -4.96 121.20 112.90 1m4q s ILE 86 Ca 0.00 0.33 -0.05 0.00 -1.10 0.00 0.00 60.65 59.83 1m4q s ILE 86 Cb 0.10 -3.33 0.06 0.00 -1.06 0.00 0.00 42.46 38.23 1m4q s ILE 86 CO 0.82 -0.16 0.28 0.00 -0.10 0.00 0.00 174.94 175.77 1m4q s PHE 88 N 2.06 0.01 0.03 0.00 -0.12 -1.09 -0.47 117.98 118.41 1m4q s PHE 88 Ca -0.02 -0.17 -0.12 0.00 -0.05 0.00 0.00 56.93 56.57 1m4q s PHE 88 Cb -0.11 -0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.21 1m4q s PHE 88 CO -0.09 -0.40 0.39 0.54 -0.05 0.00 0.00 175.22 175.61 1m4q s VAL 89 N -2.18 5.08 -0.68 -2.49 0.11 0.21 -1.82 120.40 118.62 1m4q s VAL 89 Ca -0.08 0.63 -0.10 0.00 -2.93 0.00 0.00 61.98 59.50 1m4q s VAL 89 Cb -0.03 -3.67 0.18 0.00 -1.53 0.00 0.00 36.38 31.33 1m4q s VAL 89 CO -0.02 0.44 0.57 -1.59 -3.33 0.00 0.00 175.10 171.18 1m4q s LYS 90 N -1.47 3.04 0.11 1.54 -2.85 -0.92 -4.65 119.74 114.54 1m4q s LYS 90 Ca 0.28 -2.30 -0.27 0.00 -1.00 0.00 0.00 55.97 52.67 1m4q s LYS 90 Cb -0.15 -4.12 -0.06 0.00 -2.06 0.00 0.00 37.83 31.44 1m4q s LYS 90 CO 0.15 -1.24 0.86 -1.25 0.10 0.00 0.00 175.35 173.97 1m4q s PRO 91 N 0.42 4.62 0.76 1.78 0.04 -1.26 -4.56 135.00 136.80 1m4q s PRO 91 Ca 0.14 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1m4q s PRO 91 Cb -0.18 -3.35 0.05 0.00 0.04 0.00 0.00 34.50 31.06 1m4q s PRO 91 CO -0.05 0.32 1.11 0.95 0.04 0.00 0.00 177.00 179.37 1m4q s THR 92 N -0.30 3.16 0.55 1.26 -4.23 -1.26 -4.87 115.64 109.94 1m4q s THR 92 Ca 0.42 0.38 0.26 0.00 -1.18 0.00 0.00 61.69 61.56 1m4q s THR 92 Cb -0.22 -3.26 0.38 0.00 1.34 0.00 0.00 72.50 70.73 1m4q s THR 92 CO 0.27 -0.49 2.02 0.28 -0.54 0.00 0.00 174.62 176.15 1m4q h SER 93 N -0.89 0.00 -0.45 3.99 0.02 -2.07 0.29 113.55 114.46 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 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 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 -4.20 3.37 -4.96 3.07 7.64 -1.26 -4.96 113.62 112.32 1m4q n SER 94 Ca 0.07 -1.97 -0.22 0.00 1.01 0.00 0.00 58.87 57.76 1m4q n SER 94 Cb 0.52 -0.29 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.42 2.86 -0.16 1.43 0.00 0.10 -3.12 119.30 118.99 1m4q s MET 95 Ca 0.40 -0.66 -0.04 0.00 0.00 0.00 0.00 55.69 55.39 1m4q s MET 95 Cb 0.23 -2.55 0.06 0.00 0.00 0.00 0.00 34.83 32.56 1m4q s MET 95 CO 0.31 -0.42 0.06 0.99 0.00 0.00 0.00 175.02 175.96 1m4q s THR 96 N -2.61 0.17 0.23 10.11 2.01 -0.94 -4.80 115.64 119.81 1m4q s THR 96 Ca 0.52 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 1m4q s THR 96 Cb -0.10 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.62 1m4q s THR 96 CO 0.37 -0.18 1.25 -0.63 -0.69 0.00 0.00 174.62 174.74 1m4q s ILE 97 N 2.03 3.27 -0.22 1.82 1.01 -1.26 -0.58 121.20 127.27 1m4q s ILE 97 Ca 0.01 1.12 -0.06 0.00 0.00 0.00 0.00 60.65 61.73 1m4q s ILE 97 Cb -0.16 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1m4q s ILE 97 CO -0.08 0.20 0.02 -0.75 0.00 0.00 0.00 174.94 174.33 1m4q s LYS 98 N -0.60 3.57 0.36 2.79 2.36 0.29 -4.89 119.74 123.61 1m4q s LYS 98 Ca 0.53 -0.53 -0.27 0.00 -2.55 0.00 0.00 55.97 53.15 1m4q s LYS 98 Cb -0.35 -3.16 -0.09 0.00 -1.05 0.00 0.00 37.83 33.18 1m4q s LYS 98 CO 0.40 -0.12 1.19 0.95 1.55 0.00 0.00 175.35 179.33 1m4q s THR 99 N 1.36 3.10 -0.06 3.43 -4.23 -1.26 -4.73 115.64 113.25 1m4q s THR 99 Ca 0.05 0.99 -0.30 0.00 -1.18 0.00 0.00 61.69 61.24 1m4q s THR 99 Cb -0.15 -3.59 0.11 0.00 1.34 0.00 0.00 72.50 70.22 1m4q s THR 99 CO 0.01 0.15 1.35 -0.83 -0.54 0.00 0.00 174.62 174.77 1m4q s GLY 100 N -0.93 -0.27 0.57 3.99 0.00 -0.03 -4.93 107.32 105.72 1m4q s GLY 100 Ca 0.53 0.34 0.28 0.00 0.00 0.00 0.00 44.72 45.87 1m4q s GLY 100 CO 0.42 4.44 1.99 0.07 0.00 0.00 0.00 173.10 180.03 1m4q h LYS 101 N 2.00 0.00 -0.22 2.90 2.10 -1.99 0.35 116.57 121.70 1m4q h LYS 101 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1m4q h LYS 101 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1m4q h LYS 101 CO 0.30 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.47 1m4q n HIS 102 N -3.93 0.27 -3.68 0.07 8.25 -1.26 -4.20 115.22 110.75 1m4q n HIS 102 Ca 0.06 -0.14 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1m4q n HIS 102 Cb 0.54 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.56 1m4q n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4q s VAL 103 N -1.73 -0.01 -0.08 1.59 1.01 0.12 -3.47 120.40 117.84 1m4q s VAL 103 Ca 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1m4q s VAL 103 Cb 0.21 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1m4q s VAL 103 CO 0.30 0.01 -0.06 0.44 0.00 0.00 0.00 175.10 175.79 1m4q h ASP 104 N 6.07 0.00 0.00 3.32 5.19 -1.72 -0.04 116.42 129.23 1m4q h ASP 104 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1m4q h ASP 104 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1m4q h ASP 104 CO 0.18 0.43 0.00 0.00 -3.12 0.00 0.00 179.24 176.73 1m4q n ALA 105 N -2.88 0.00 0.38 3.45 0.00 -1.26 -4.68 120.51 115.52 1m4q n ALA 105 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1m4q n ALA 105 Cb 0.10 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.78 1m4q n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m4q n ASN 106 N 0.00 2.77 0.00 0.00 4.13 -1.26 -4.90 115.26 116.00 1m4q n ASN 106 Ca 0.00 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.27 1m4q n ASN 106 Cb 0.00 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m4q n GLY 107 N 1.33 1.67 3.76 7.41 0.00 -1.26 -4.84 105.19 113.25 1m4q n GLY 107 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.64 4.40 0.06 1.61 -2.85 -1.26 0.63 119.74 121.70 1m4q s LYS 108 Ca 0.00 2.10 -0.29 0.00 -1.00 0.00 0.00 55.97 56.79 1m4q s LYS 108 Cb 0.00 -3.13 -0.05 0.00 -2.06 0.00 0.00 37.83 32.59 1m4q s LYS 108 CO 0.00 -0.16 0.92 0.42 0.10 0.00 0.00 175.35 176.63 1m4q s ILE 109 N -0.64 4.68 0.00 3.79 1.01 0.38 -3.35 121.20 127.08 1m4q s ILE 109 Ca 0.52 1.96 0.00 0.00 0.00 0.00 0.00 60.65 63.13 1m4q s ILE 109 Cb -0.38 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1m4q s ILE 109 CO 0.45 0.27 0.00 0.00 0.00 0.00 0.00 174.94 175.66 1m4q n TYR 110 N 3.20 -1.34 -0.90 3.97 9.36 -1.23 -4.88 117.16 125.34 1m4q n TYR 110 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1m4q n TYR 110 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1m4q n TYR 110 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1m4q n LEU 111 N 0.00 -1.03 -0.09 2.98 4.77 -1.26 -4.74 117.00 117.63 1m4q n LEU 111 Ca 0.00 1.65 -0.10 0.00 -0.03 0.00 0.00 56.01 57.53 1m4q n LEU 111 Cb 0.00 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 39.69 1m4q n LEU 111 CO 0.00 -0.41 0.86 1.55 -1.33 0.00 0.00 177.39 178.07 1m4q h PRO 112 N 0.17 0.44 0.00 3.23 0.13 -1.97 -3.46 132.00 130.55 1m4q h PRO 112 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1m4q h PRO 112 Cb 0.50 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1m4q h PRO 112 CO 0.00 0.49 0.00 0.66 -0.23 0.00 0.00 178.00 178.92 1m4q n TYR 113 N -4.72 0.00 -0.04 1.56 4.01 -1.26 -2.93 117.16 113.77 1m4q n TYR 113 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 1m4q n TYR 113 Cb 0.16 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.11 1m4q n TYR 113 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1m4q h LEU 114 N 0.00 0.53 -1.08 7.72 6.46 -1.97 -2.25 115.31 124.71 1m4q h LEU 114 Ca 0.00 -0.60 0.00 0.00 -0.12 0.00 0.00 57.88 57.16 1m4q h LEU 114 Cb 0.00 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 1m4q h LEU 114 CO 0.00 1.04 0.00 1.57 -0.62 0.00 0.00 178.44 180.43 1m4q n HIS 115 N -4.35 0.67 -0.09 1.25 -0.00 -1.15 -2.58 115.22 108.98 1m4q n HIS 115 Ca -0.07 0.32 -0.09 0.00 0.46 0.00 0.00 57.72 58.34 1m4q n HIS 115 Cb 0.52 -1.02 -0.03 0.00 -0.12 0.00 0.00 29.99 29.34 1m4q n HIS 115 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1m4q n GLU 116 N -2.17 0.50 0.00 1.57 2.13 -1.15 -4.88 120.64 116.65 1m4q n GLU 116 Ca -0.00 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1m4q n GLU 116 Cb 0.09 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.23 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 -4.52 0.00 -3.97 4.31 -0.00 -0.86 -4.93 117.44 107.48 1m4q n TRP 117 Ca -0.14 0.00 -0.35 0.00 -0.00 0.00 0.00 57.50 57.00 1m4q n TRP 117 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.75 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 -0.18 -1.28 -0.00 5.87 2.85 -1.07 -4.89 118.16 119.46 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 -3.58 -0.06 0.00 -0.65 0.00 0.00 35.03 30.74 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1m4q h HIS 119 N -2.13 1.00 0.30 5.58 2.76 -1.91 -3.47 115.15 117.28 1m4q h HIS 119 Ca -0.67 -0.46 -0.01 0.00 -2.20 0.00 0.00 60.37 57.02 1m4q h HIS 119 Cb 1.39 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.20 1m4q h HIS 119 CO 0.41 1.29 -0.14 -1.00 -1.30 0.00 0.00 177.93 177.18 1m4q h PRO 120 N 0.48 -0.38 0.00 5.26 0.13 -2.02 -3.50 132.00 131.97 1m4q h PRO 120 Ca -0.06 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1m4q h PRO 120 Cb 1.45 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.66 1m4q h PRO 120 CO 0.16 -0.07 0.00 1.04 -0.23 0.00 0.00 178.00 178.91 1m4q n GLN 121 N -5.05 0.00 -2.80 0.86 1.13 -1.26 -4.85 117.38 105.40 1m4q n GLN 121 Ca -0.08 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.57 1m4q n GLN 121 Cb 0.25 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.56 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1m4q s SER 122 N 0.00 7.30 0.53 1.08 0.15 -1.26 -5.01 113.70 116.48 1m4q s SER 122 Ca 0.00 1.56 0.03 0.00 0.70 0.00 0.00 55.95 58.25 1m4q s SER 122 Cb 0.00 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1m4q s SER 122 CO 0.00 -0.19 0.28 0.47 1.20 0.00 0.00 173.24 175.00 1m4q n ASP 123 N 3.69 2.93 -0.32 5.45 9.92 -1.26 -4.84 116.55 132.12 1m4q n ASP 123 Ca 0.04 -2.96 0.06 0.00 -0.53 0.00 0.00 54.79 51.40 1m4q n ASP 123 Cb 0.51 0.08 0.16 0.00 -0.64 0.00 0.00 41.12 41.23 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1m4q h LEU 124 N 0.00 -0.71 -0.54 0.64 7.12 -1.97 0.72 115.31 120.57 1m4q h LEU 124 Ca -0.37 0.26 -0.14 0.00 0.13 0.00 0.00 57.88 57.77 1m4q h LEU 124 Cb 1.25 0.52 -0.01 0.00 -0.53 0.00 0.00 40.66 41.89 1m4q h LEU 124 CO 0.58 -0.30 -0.32 -0.07 -0.13 0.00 0.00 178.44 178.21 1m4q h LEU 125 N 0.01 0.88 -1.18 2.25 4.07 -1.95 -3.00 115.31 116.39 1m4q h LEU 125 Ca 0.47 -0.37 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 1m4q h LEU 125 Cb 0.78 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 1m4q h LEU 125 CO -0.90 1.12 -0.30 1.23 -1.08 0.00 0.00 178.44 178.52 1m4q h GLY 126 N 0.90 0.20 0.44 0.83 0.00 -0.31 -2.44 103.07 102.69 1m4q h GLY 126 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1m4q h GLY 126 CO 0.08 0.14 -0.27 -2.00 0.00 0.00 0.00 176.54 174.49 1m4q h LEU 127 N 0.17 -0.68 -1.97 3.11 6.46 0.27 -2.40 115.31 120.27 1m4q h LEU 127 Ca 0.02 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1m4q h LEU 127 Cb 0.62 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1m4q h LEU 127 CO 0.04 -0.42 0.17 0.40 -0.62 0.00 0.00 178.44 178.02 1m4q h ILE 128 N -0.67 0.90 -0.81 4.05 5.03 -1.60 -1.47 117.51 122.95 1m4q h ILE 128 Ca -0.06 -0.01 0.06 0.00 -0.12 0.00 0.00 64.86 64.73 1m4q h ILE 128 Cb 0.53 0.86 -0.06 0.00 -3.03 0.00 0.00 36.82 35.12 1m4q h ILE 128 CO 0.06 0.01 0.49 -0.61 -0.68 0.00 0.00 178.15 177.42 1m4q h GLN 129 N 0.04 0.87 -0.10 2.37 4.15 -1.08 0.23 115.11 121.58 1m4q h GLN 129 Ca 0.11 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1m4q h GLN 129 Cb 0.41 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 1m4q h GLN 129 CO -0.01 0.58 0.03 0.28 -1.93 0.00 0.00 178.83 177.78 1m4q h VAL 130 N 0.90 1.18 -0.90 2.39 2.07 -0.77 0.49 116.25 121.61 1m4q h VAL 130 Ca 0.36 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1m4q h VAL 130 Cb 0.18 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1m4q h VAL 130 CO -0.18 0.16 0.59 -0.03 0.02 0.00 0.00 177.57 178.14 1m4q h MET 131 N -0.03 1.09 -0.50 1.57 1.85 -1.32 0.76 114.93 118.33 1m4q h MET 131 Ca 0.03 -0.07 -0.10 0.00 -0.61 0.00 0.00 59.70 58.95 1m4q h MET 131 Cb 0.23 -0.24 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 1m4q h MET 131 CO -0.00 0.72 -0.10 0.82 -0.40 0.00 0.00 176.91 177.95 1m4q h ILE 132 N 1.12 1.26 0.16 1.77 2.04 -0.24 0.26 117.51 123.88 1m4q h ILE 132 Ca 0.36 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1m4q h ILE 132 Cb 0.03 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1m4q h ILE 132 CO -0.11 0.43 -0.08 0.58 0.00 0.00 0.00 178.15 178.97 1m4q h VAL 133 N 0.83 0.96 0.17 1.67 2.07 0.19 -0.04 116.25 122.10 1m4q h VAL 133 Ca 0.14 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1m4q h VAL 133 Cb 0.63 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1m4q h VAL 133 CO 0.04 0.15 -0.08 0.58 0.02 0.00 0.00 177.57 178.28 1m4q h VAL 134 N -0.54 0.87 0.00 2.57 2.07 -0.86 -2.15 116.25 118.20 1m4q h VAL 134 Ca -0.02 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1m4q h VAL 134 Cb 0.41 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1m4q h VAL 134 CO 0.04 0.04 0.00 0.49 0.02 0.00 0.00 177.57 178.16 1m4q n PHE 135 N -5.15 0.00 0.15 1.57 3.01 0.90 -1.85 117.46 116.08 1m4q n PHE 135 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1m4q n PHE 135 Cb 0.15 -0.46 0.20 0.00 -0.01 0.00 0.00 39.48 39.36 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 1.88 0.00 0.00 1.37 0.00 -0.29 -3.37 103.07 102.66 1m4q h GLY 136 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1m4q h GLY 136 CO 0.00 0.00 -1.85 1.22 0.00 0.00 0.00 176.54 175.91 1m4q n ASP 137 N -3.73 1.72 -4.54 0.19 9.92 -1.03 -4.26 116.55 114.82 1m4q n ASP 137 Ca -0.01 0.09 -0.43 0.00 -0.53 0.00 0.00 54.79 53.92 1m4q n ASP 137 Cb 0.60 -0.37 -0.06 0.00 -0.64 0.00 0.00 41.12 40.64 1m4q n ASP 137 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1m4q s GLU 138 N -2.28 3.45 -0.29 -1.24 -1.05 -0.77 -5.01 118.70 111.50 1m4q s GLU 138 Ca -0.21 -0.10 -0.28 0.00 -0.15 0.00 0.00 54.97 54.23 1m4q s GLU 138 Cb 0.07 -3.91 -0.03 0.00 -0.44 0.00 0.00 34.13 29.82 1m4q s GLU 138 CO 0.29 -1.02 1.94 -1.25 0.95 0.00 0.00 175.26 176.18 1m4q s PRO 139 N 3.09 3.28 0.13 -4.83 0.04 -1.26 -4.32 135.00 131.13 1m4q s PRO 139 Ca 0.28 1.65 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 1m4q s PRO 139 Cb -0.13 -4.25 -0.11 0.00 0.04 0.00 0.00 34.50 30.04 1m4q s PRO 139 CO 0.20 -1.93 1.29 -1.00 0.04 0.00 0.00 177.00 175.61 1m4q h PRO 140 N 13.57 0.23 -1.37 0.56 0.13 -1.87 -3.43 132.00 139.82 1m4q h PRO 140 Ca -0.36 -0.30 -0.17 0.00 -0.87 0.00 0.00 66.00 64.30 1m4q h PRO 140 Cb 1.19 0.10 -0.24 0.00 0.13 0.00 0.00 31.00 32.18 1m4q h PRO 140 CO 1.00 1.05 -0.53 0.54 -0.23 0.00 0.00 178.00 179.83 1m4q s VAL 141 N -3.03 -0.75 -0.08 1.56 0.11 -1.26 0.10 120.40 117.06 1m4q s VAL 141 Ca -0.03 -0.36 -0.19 0.00 -2.93 0.00 0.00 61.98 58.46 1m4q s VAL 141 Cb 0.09 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1m4q s VAL 141 CO 0.85 -0.22 0.54 0.72 -3.33 0.00 0.00 175.10 173.66 1m4q s PHE 142 N 1.81 3.57 0.57 1.54 -0.71 0.26 -4.58 117.98 120.43 1m4q s PHE 142 Ca 0.16 1.03 -0.03 0.00 -1.04 0.00 0.00 56.93 57.04 1m4q s PHE 142 Cb -0.09 -2.60 0.02 0.00 -1.21 0.00 0.00 43.02 39.15 1m4q s PHE 142 CO -0.08 0.21 0.84 0.45 -1.34 0.00 0.00 175.22 175.31 1m4q s SER 143 N 0.41 5.44 0.46 1.98 0.15 -1.26 -2.21 113.70 118.66 1m4q s SER 143 Ca 0.29 0.43 -0.21 0.00 0.70 0.00 0.00 55.95 57.16 1m4q s SER 143 Cb -0.16 -1.40 -0.09 0.00 -1.71 0.00 0.00 66.02 62.66 1m4q s SER 143 CO 0.13 -1.09 1.02 -0.13 1.20 0.00 0.00 173.24 174.37 1m4q s ARG 144 N -4.89 3.96 0.00 5.44 1.81 -1.18 -4.88 118.95 119.20 1m4q s ARG 144 Ca 0.54 1.35 0.17 0.00 -1.72 0.00 0.00 55.73 56.07 1m4q s ARG 144 Cb -0.10 -2.21 1.02 0.00 -0.45 0.00 0.00 34.95 33.21 1m4q s ARG 144 CO 0.42 -0.30 1.43 -0.35 -0.68 0.00 0.00 175.30 175.82