#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w3o h TYR -19 N 0.00 0.21 -0.37 7.33 3.20 -2.04 -1.62 116.97 123.68 1w3o h TYR -19 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1w3o h TYR -19 Cb 0.00 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1w3o h TYR -19 CO 0.00 -0.01 0.20 -0.92 -1.64 0.00 0.00 178.16 175.78 1w3o h TYR -18 N 0.27 0.51 -0.36 -3.82 3.20 -2.05 0.24 116.97 114.96 1w3o h TYR -18 Ca 0.30 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1w3o h TYR -18 Cb 0.42 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1w3o h TYR -18 CO -0.24 0.41 0.07 1.25 -1.64 0.00 0.00 178.16 178.01 1w3o h HIS -17 N 0.47 0.63 -0.37 -3.82 2.76 -1.97 -1.99 115.15 110.86 1w3o h HIS -17 Ca 0.13 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1w3o h HIS -17 Cb 0.07 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1w3o h HIS -17 CO -0.02 0.64 0.23 1.25 -1.30 0.00 0.00 177.93 178.72 1w3o h HIS -16 N 0.44 0.47 -0.61 5.26 -0.00 -0.72 -0.58 115.15 119.42 1w3o h HIS -16 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.40 1w3o h HIS -16 Cb 0.34 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 1w3o h HIS -16 CO 0.02 0.32 0.03 1.25 -0.00 0.00 0.00 177.93 179.56 1w3o h HIS -15 N 0.48 1.14 -0.51 5.26 6.17 -0.50 -2.18 115.15 125.01 1w3o h HIS -15 Ca 0.13 -0.19 -0.06 0.00 0.71 0.00 0.00 60.37 60.97 1w3o h HIS -15 Cb -0.02 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 29.58 1w3o h HIS -15 CO -0.04 1.00 0.09 1.25 0.71 0.00 0.00 177.93 180.93 1w3o h HIS -14 N 0.96 0.84 -0.46 5.26 6.17 -1.06 -1.12 115.15 125.73 1w3o h HIS -14 Ca 0.18 -0.09 -0.08 0.00 0.71 0.00 0.00 60.37 61.09 1w3o h HIS -14 Cb 0.52 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 30.19 1w3o h HIS -14 CO 0.04 0.73 -0.03 1.25 0.71 0.00 0.00 177.93 180.62 1w3o h HIS -13 N 0.77 0.92 -0.22 5.26 -0.00 -0.89 -3.07 115.15 117.93 1w3o h HIS -13 Ca 0.16 -0.17 -0.13 0.00 -0.00 0.00 0.00 60.37 60.23 1w3o h HIS -13 Cb 0.34 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 1w3o h HIS -13 CO 0.02 0.90 -0.40 0.45 -0.00 0.00 0.00 177.93 178.90 1w3o h HIS -12 N 0.68 0.60 0.38 5.26 3.86 -1.06 -3.51 115.15 121.37 1w3o h HIS -12 Ca 0.13 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1w3o h HIS -12 Cb 0.55 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1w3o h HIS -12 CO 0.04 0.83 -0.18 -0.07 0.86 0.00 0.00 177.93 179.41 1w3o h LEU -11 N 0.42 -0.44 -8.44 2.43 3.38 -1.11 -3.51 115.31 108.04 1w3o h LEU -11 Ca 0.04 0.02 -0.69 0.00 0.09 0.00 0.00 57.88 57.34 1w3o h LEU -11 Cb 0.88 0.11 -0.32 0.00 0.09 0.00 0.00 40.66 41.42 1w3o h LEU -11 CO 0.07 -0.18 -0.88 -0.55 0.09 0.00 0.00 178.44 176.99 1w3o s SER 2 N -3.83 3.09 0.00 -0.43 0.15 -1.26 -5.10 113.70 106.32 1w3o s SER 2 Ca -0.08 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1w3o s SER 2 Cb 0.01 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1w3o s SER 2 CO 0.23 0.22 0.00 0.47 1.20 0.00 0.00 173.24 175.35 1w3o n ASP 3 N 3.12 0.00 -0.24 5.45 8.00 -1.26 -0.46 116.55 131.17 1w3o n ASP 3 Ca -0.18 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.35 1w3o n ASP 3 Cb 0.52 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.89 1w3o n ASP 3 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1w3o h PHE 4 N 0.00 0.93 -0.01 1.24 3.57 -2.09 -2.57 116.94 118.00 1w3o h PHE 4 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1w3o h PHE 4 Cb 0.00 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1w3o h PHE 4 CO 0.00 0.53 -0.45 0.66 -2.23 0.00 0.00 178.31 176.82 1w3o n TYR 5 N -4.46 0.00 -1.90 0.41 4.02 0.40 -4.99 117.16 110.64 1w3o n TYR 5 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.70 1w3o n TYR 5 Cb 0.14 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.54 1w3o n TYR 5 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1w3o s ASP 6 N -2.28 4.83 0.27 7.72 1.01 -0.97 -4.99 116.67 122.25 1w3o s ASP 6 Ca 0.16 0.90 -0.30 0.00 0.71 0.00 0.00 52.55 54.02 1w3o s ASP 6 Cb 0.16 -1.49 -0.13 0.00 1.01 0.00 0.00 42.92 42.46 1w3o s ASP 6 CO 0.52 -1.71 1.29 -2.65 0.21 0.00 0.00 175.17 172.83 1w3o n PRO 7 N -3.21 1.87 -4.09 8.23 -0.02 -1.26 -5.00 135.00 131.52 1w3o n PRO 7 Ca 0.08 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1w3o n PRO 7 Cb 0.60 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 1w3o n PRO 7 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1w3o s ARG 8 N -0.98 1.35 -0.03 -0.52 1.70 -1.26 -5.11 118.95 114.09 1w3o s ARG 8 Ca 0.64 -1.41 -0.03 0.00 -0.47 0.00 0.00 55.73 54.45 1w3o s ARG 8 Cb -0.65 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.06 1w3o s ARG 8 CO 0.55 -0.51 0.17 -1.21 -1.08 0.00 0.00 175.30 173.22 1w3o s GLU 9 N -4.08 3.41 -0.02 3.89 0.41 -1.26 -5.10 118.70 115.95 1w3o s GLU 9 Ca 0.29 -0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.55 1w3o s GLU 9 Cb 0.03 -3.09 0.02 0.00 -1.78 0.00 0.00 34.13 29.31 1w3o s GLU 9 CO 0.09 0.69 0.01 -0.98 -0.49 0.00 0.00 175.26 174.58 1w3o s ARG 10 N -1.77 0.09 -0.30 1.61 1.04 -1.26 -5.11 118.95 113.25 1w3o s ARG 10 Ca 0.25 0.08 -0.29 0.00 -1.04 0.00 0.00 55.73 54.73 1w3o s ARG 10 Cb -0.12 -0.25 0.01 0.00 -2.04 0.00 0.00 34.95 32.55 1w3o s ARG 10 CO 0.16 -0.09 1.13 0.34 -0.04 0.00 0.00 175.30 176.80 1w3o s ASP 11 N 0.68 6.89 0.34 -2.89 -1.08 -1.26 -4.93 116.67 114.42 1w3o s ASP 11 Ca -0.06 1.15 0.25 0.00 -0.52 0.00 0.00 52.55 53.37 1w3o s ASP 11 Cb -0.09 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.04 1w3o s ASP 11 CO -0.02 -0.90 1.75 1.55 0.52 0.00 0.00 175.17 178.08 1w3o h PRO 12 N 8.31 0.00 -0.00 4.34 0.13 -2.03 -2.28 132.00 140.46 1w3o h PRO 12 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1w3o h PRO 12 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1w3o h PRO 12 CO 1.03 0.00 -0.27 -1.13 -0.23 0.00 0.00 178.00 177.40 1w3o n SER 13 N -2.37 0.65 -4.75 1.44 3.41 -1.26 -4.91 113.62 105.83 1w3o n SER 13 Ca -0.00 -0.51 -0.40 0.00 -0.26 0.00 0.00 58.87 57.70 1w3o n SER 13 Cb 0.13 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 1w3o n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1w3o s VAL 14 N -2.68 3.93 0.10 -3.33 1.01 -0.86 -4.97 120.40 113.59 1w3o s VAL 14 Ca 0.21 1.94 -0.36 0.00 0.00 0.00 0.00 61.98 63.77 1w3o s VAL 14 Cb 0.19 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 32.17 1w3o s VAL 14 CO 0.56 0.46 1.26 -0.24 0.00 0.00 0.00 175.10 177.14 1w3o n SER 15 N 1.41 1.35 -0.93 3.32 2.88 -1.26 -4.91 113.62 115.47 1w3o n SER 15 Ca -0.02 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1w3o n SER 15 Cb 0.46 -1.16 0.25 0.00 -0.75 0.00 0.00 64.21 63.01 1w3o n SER 15 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1w3o n ARG 16 N 2.22 2.24 -2.08 -1.46 5.12 -1.26 -4.99 116.66 116.45 1w3o n ARG 16 Ca 0.18 -1.85 -0.41 0.00 -1.93 0.00 0.00 57.85 53.84 1w3o n ARG 16 Cb 0.19 -1.47 -0.02 0.00 -1.16 0.00 0.00 32.46 29.99 1w3o n ARG 16 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1w3o s ARG 17 N -1.71 4.32 0.82 5.56 0.52 -1.26 -4.98 118.95 122.22 1w3o s ARG 17 Ca 0.35 2.24 -0.12 0.00 -0.52 0.00 0.00 55.73 57.68 1w3o s ARG 17 Cb 0.21 -3.10 0.08 0.00 0.52 0.00 0.00 34.95 32.66 1w3o s ARG 17 CO 0.30 -0.28 1.10 -1.25 0.02 0.00 0.00 175.30 175.19 1w3o s PRO 18 N -1.12 1.94 -1.62 3.54 0.04 -1.26 -4.24 135.00 132.27 1w3o s PRO 18 Ca 0.53 0.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 1w3o s PRO 18 Cb -0.40 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1w3o s PRO 18 CO 0.48 -1.72 0.45 1.04 0.04 0.00 0.00 177.00 177.29 1w3o n GLN 19 N -3.50 -4.06 -1.03 4.56 6.02 -1.26 -1.95 117.38 116.16 1w3o n GLN 19 Ca 0.07 0.94 -0.01 0.00 -0.01 0.00 0.00 57.00 57.99 1w3o n GLN 19 Cb 0.56 -5.75 -0.00 0.00 1.02 0.00 0.00 30.24 26.07 1w3o n GLN 19 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1w3o n ASN 20 N -2.39 -4.93 -4.76 1.08 3.02 -1.26 -4.92 115.26 101.10 1w3o n ASN 20 Ca -0.15 0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.06 1w3o n ASN 20 Cb 0.64 -2.51 0.03 0.00 -0.61 0.00 0.00 39.78 37.33 1w3o n ASN 20 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1w3o s ARG 21 N -1.42 3.03 0.34 3.52 1.81 -0.82 -1.50 118.95 123.90 1w3o s ARG 21 Ca 0.00 1.80 0.08 0.00 -1.72 0.00 0.00 55.73 55.89 1w3o s ARG 21 Cb 0.00 -1.94 -0.07 0.00 -0.45 0.00 0.00 34.95 32.49 1w3o s ARG 21 CO 0.00 -1.15 -0.06 -0.65 -0.68 0.00 0.00 175.30 172.76 1w3o s GLN 22 N -3.32 1.76 0.60 3.54 -1.52 -0.60 -4.67 119.66 115.45 1w3o s GLN 22 Ca 0.77 -1.92 -0.11 0.00 -1.95 0.00 0.00 55.36 52.14 1w3o s GLN 22 Cb -0.30 -1.49 -0.04 0.00 -0.22 0.00 0.00 33.01 30.96 1w3o s GLN 22 CO 0.32 0.06 1.02 -1.54 -0.25 0.00 0.00 175.29 174.90 1w3o s SER 23 N -3.57 6.28 0.33 5.90 1.04 -1.26 -4.64 113.70 117.78 1w3o s SER 23 Ca 0.32 1.42 0.03 0.00 0.48 0.00 0.00 55.95 58.20 1w3o s SER 23 Cb 0.04 -2.47 0.59 0.00 0.10 0.00 0.00 66.02 64.29 1w3o s SER 23 CO 0.15 -0.83 1.92 0.44 0.98 0.00 0.00 173.24 175.91 1w3o h ASP 24 N -0.15 0.61 -0.09 7.02 3.32 -2.00 -1.33 116.42 123.81 1w3o h ASP 24 Ca -0.44 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.46 1w3o h ASP 24 Cb 1.19 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1w3o h ASP 24 CO 0.62 0.58 -0.13 -0.08 -1.72 0.00 0.00 179.24 178.50 1w3o h GLU 25 N 0.67 0.43 -0.17 3.56 4.57 -1.99 -1.00 114.58 120.64 1w3o h GLU 25 Ca 0.16 -0.12 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 1w3o h GLU 25 Cb 0.17 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1w3o h GLU 25 CO -0.01 0.56 -0.60 2.35 -1.18 0.00 0.00 179.01 180.13 1w3o h TRP 26 N 0.40 0.73 -0.19 0.92 7.01 -1.65 -2.26 115.95 120.91 1w3o h TRP 26 Ca 0.08 -0.28 -0.03 0.00 2.11 0.00 0.00 58.89 60.77 1w3o h TRP 26 Cb 0.47 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1w3o h TRP 26 CO 0.01 1.03 0.00 0.82 -2.79 0.00 0.00 178.44 177.52 1w3o h ILE 27 N 0.43 1.25 -0.57 2.65 2.04 -0.94 -1.49 117.51 120.88 1w3o h ILE 27 Ca -0.00 -0.85 0.10 0.00 1.00 0.00 0.00 64.86 65.11 1w3o h ILE 27 Cb 1.16 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 38.60 1w3o h ILE 27 CO 0.11 0.26 0.13 -0.09 0.00 0.00 0.00 178.15 178.56 1w3o h ARG 28 N 0.10 0.26 -0.27 2.37 2.43 -1.08 -0.92 114.38 117.26 1w3o h ARG 28 Ca 0.05 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 1w3o h ARG 28 Cb 0.38 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1w3o h ARG 28 CO 0.01 0.17 -0.34 0.93 -1.51 0.00 0.00 179.97 179.23 1w3o h GLU 29 N 0.27 0.59 -0.27 0.20 5.08 -1.11 -0.55 114.58 118.78 1w3o h GLU 29 Ca 0.29 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1w3o h GLU 29 Cb 0.41 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1w3o h GLU 29 CO -0.37 0.85 -0.23 1.25 -1.00 0.00 0.00 179.01 179.52 1w3o h LEU 30 N 0.50 0.68 -1.22 1.33 6.46 -0.63 -2.20 115.31 120.22 1w3o h LEU 30 Ca 0.05 -0.46 -0.04 0.00 -0.12 0.00 0.00 57.88 57.32 1w3o h LEU 30 Cb 0.83 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 1w3o h LEU 30 CO 0.07 0.99 0.07 -0.07 -0.62 0.00 0.00 178.44 178.88 1w3o h LEU 31 N 0.37 0.57 -0.82 2.25 3.38 -0.97 -1.76 115.31 118.33 1w3o h LEU 31 Ca 0.05 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1w3o h LEU 31 Cb 0.78 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1w3o h LEU 31 CO 0.06 0.59 -0.57 -0.07 0.09 0.00 0.00 178.44 178.53 1w3o h LEU 32 N 0.59 0.07 0.00 1.67 3.38 -0.84 -3.27 115.31 116.92 1w3o h LEU 32 Ca 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1w3o h LEU 32 Cb 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1w3o h LEU 32 CO 0.00 0.63 -0.91 -2.11 0.09 0.00 0.00 178.44 176.14 1w3o n ARG 33 N -3.87 0.18 -1.85 1.13 1.85 -0.85 -4.92 116.66 108.32 1w3o n ARG 33 Ca -0.02 -0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.52 1w3o n ARG 33 Cb 0.58 -1.56 0.01 0.00 -1.05 0.00 0.00 32.46 30.45 1w3o n ARG 33 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1w3o s GLY 34 N -3.40 1.69 0.00 2.89 0.00 -0.68 -5.01 107.32 102.82 1w3o s GLY 34 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1w3o s GLY 34 CO 0.79 0.25 0.00 -1.30 0.00 0.00 0.00 173.10 172.84 1w3o n THR 35 N -2.74 0.00 -5.18 0.90 -2.24 -1.26 -4.92 114.28 98.84 1w3o n THR 35 Ca 0.06 -0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 1w3o n THR 35 Cb 0.54 0.70 -0.16 0.00 -2.10 0.00 0.00 70.33 69.31 1w3o n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1w3o s ILE 36 N -0.61 1.94 0.29 2.28 -1.09 -1.26 -2.22 121.20 120.53 1w3o s ILE 36 Ca 0.00 -1.00 0.04 0.00 -2.23 0.00 0.00 60.65 57.46 1w3o s ILE 36 Cb 0.00 -1.65 -0.06 0.00 -1.58 0.00 0.00 42.46 39.17 1w3o s ILE 36 CO 0.00 0.54 0.04 0.00 -1.23 0.00 0.00 174.94 174.29 1w3o s ALA 37 N -0.09 2.16 -0.08 9.38 0.00 -0.04 -4.64 121.76 128.44 1w3o s ALA 37 Ca -0.05 -1.96 0.03 0.00 0.00 0.00 0.00 51.96 49.99 1w3o s ALA 37 Cb -0.14 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 1w3o s ALA 37 CO 0.04 -0.30 -0.18 1.03 0.00 0.00 0.00 175.76 176.35 1w3o s ARG 38 N -3.89 2.81 -0.09 0.00 3.00 -0.15 -0.57 118.95 120.06 1w3o s ARG 38 Ca 0.34 -0.77 0.03 0.00 0.00 0.00 0.00 55.73 55.33 1w3o s ARG 38 Cb 0.08 -2.38 -0.01 0.00 0.00 0.00 0.00 34.95 32.64 1w3o s ARG 38 CO 0.14 0.40 -0.20 0.08 0.00 0.00 0.00 175.30 175.72 1w3o s VAL 39 N -0.16 2.49 -0.18 3.52 1.01 -0.39 -0.49 120.40 126.20 1w3o s VAL 39 Ca -0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1w3o s VAL 39 Cb -0.14 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1w3o s VAL 39 CO 0.04 0.56 -0.09 0.00 0.00 0.00 0.00 175.10 175.60 1w3o s ALA 40 N 0.09 2.70 0.09 5.51 0.00 0.88 -1.58 121.76 129.44 1w3o s ALA 40 Ca -0.09 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1w3o s ALA 40 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1w3o s ALA 40 CO 0.06 -0.12 -0.07 0.95 0.00 0.00 0.00 175.76 176.57 1w3o s THR 41 N 0.95 0.70 -0.11 0.00 -4.23 -1.20 -1.90 115.64 109.84 1w3o s THR 41 Ca -0.01 -1.71 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 1w3o s THR 41 Cb -0.15 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 1w3o s THR 41 CO -0.00 -0.72 0.08 -0.76 -0.54 0.00 0.00 174.62 172.67 1w3o s LEU 42 N -2.64 4.01 0.07 4.79 1.43 -1.26 -1.45 118.68 123.63 1w3o s LEU 42 Ca 0.06 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1w3o s LEU 42 Cb 0.01 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1w3o s LEU 42 CO -0.03 0.37 -0.15 0.26 0.23 0.00 0.00 176.35 177.03 1w3o s TRP 43 N -0.80 1.25 -0.03 0.29 0.52 -0.28 -1.60 118.94 118.29 1w3o s TRP 43 Ca 0.13 -0.45 -0.27 0.00 0.02 0.00 0.00 56.10 55.53 1w3o s TRP 43 Cb -0.12 -0.70 -0.03 0.00 -1.15 0.00 0.00 33.47 31.47 1w3o s TRP 43 CO 0.03 0.06 0.85 -1.14 0.02 0.00 0.00 176.95 176.77 1w3o s GLN 44 N -1.70 4.50 0.36 4.98 0.74 0.54 -0.92 119.66 128.17 1w3o s GLN 44 Ca -0.01 1.17 0.05 0.00 0.05 0.00 0.00 55.36 56.62 1w3o s GLN 44 Cb -0.10 -3.45 0.05 0.00 1.10 0.00 0.00 33.01 30.61 1w3o s GLN 44 CO 0.02 0.01 0.44 0.41 -0.55 0.00 0.00 175.29 175.63 1w3o n GLY 45 N 2.97 2.19 0.20 2.59 0.00 0.11 -4.62 105.19 108.63 1w3o n GLY 45 Ca 0.02 -2.21 0.03 0.00 0.00 0.00 0.00 46.02 43.87 1w3o n GLY 45 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1w3o h GLU 46 N 0.00 0.03 -0.18 1.61 4.81 -1.96 0.20 114.58 119.09 1w3o h GLU 46 Ca -0.18 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1w3o h GLU 46 Cb 0.79 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1w3o h GLU 46 CO 0.27 0.32 0.00 -0.40 -0.73 0.00 0.00 179.01 178.47 1w3o n ASP 47 N -4.18 1.02 0.00 1.04 5.75 -1.26 -4.88 116.55 114.04 1w3o n ASP 47 Ca -0.02 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1w3o n ASP 47 Cb 0.34 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1w3o n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1w3o n GLY 48 N 0.83 2.88 3.78 6.12 0.00 0.69 -5.01 105.19 114.48 1w3o n GLY 48 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1w3o n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w3o s ALA 49 N -1.86 3.42 0.40 4.61 0.00 -1.26 -4.52 121.76 122.55 1w3o s ALA 49 Ca 0.00 0.37 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 1w3o s ALA 49 Cb 0.00 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 1w3o s ALA 49 CO 0.00 0.28 1.29 0.00 0.00 0.00 0.00 175.76 177.33 1w3o s ALA 50 N -1.23 3.27 0.02 0.00 0.00 -1.26 -0.72 121.76 121.84 1w3o s ALA 50 Ca 0.38 1.20 -0.09 0.00 0.00 0.00 0.00 51.96 53.46 1w3o s ALA 50 Cb -0.22 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1w3o s ALA 50 CO 0.26 -0.77 0.17 -0.59 0.00 0.00 0.00 175.76 174.83 1w3o s PHE 51 N -1.27 0.05 0.10 0.00 -0.12 -0.10 -4.90 117.98 111.74 1w3o s PHE 51 Ca 0.56 -0.19 -0.15 0.00 -0.05 0.00 0.00 56.93 57.10 1w3o s PHE 51 Cb -0.37 -0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 41.91 1w3o s PHE 51 CO 0.48 -0.35 0.52 -1.25 -0.05 0.00 0.00 175.22 174.56 1w3o s PRO 52 N -1.92 3.99 0.31 1.99 0.04 -1.26 -1.13 135.00 137.01 1w3o s PRO 52 Ca -0.10 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 61.41 1w3o s PRO 52 Cb -0.04 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1w3o s PRO 52 CO -0.01 0.55 0.53 -0.06 0.04 0.00 0.00 177.00 178.06 1w3o s PHE 53 N -1.34 3.49 -0.12 0.56 0.40 -0.53 -4.95 117.98 115.50 1w3o s PHE 53 Ca 0.34 0.47 -0.00 0.00 -0.60 0.00 0.00 56.93 57.14 1w3o s PHE 53 Cb -0.16 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.41 1w3o s PHE 53 CO 0.18 0.17 -0.08 0.42 0.70 0.00 0.00 175.22 176.60 1w3o s ILE 54 N -2.18 1.09 -0.15 0.64 1.01 -1.26 -3.27 121.20 117.09 1w3o s ILE 54 Ca 0.41 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1w3o s ILE 54 Cb -0.10 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.29 1w3o s ILE 54 CO 0.33 0.38 -0.18 -0.89 0.00 0.00 0.00 174.94 174.57 1w3o s THR 55 N 1.67 1.85 0.25 2.92 2.01 -0.61 -4.92 115.64 118.80 1w3o s THR 55 Ca 0.05 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 60.96 1w3o s THR 55 Cb -0.13 -1.67 -0.09 0.00 0.01 0.00 0.00 72.50 70.63 1w3o s THR 55 CO -0.08 0.51 0.87 -2.16 -0.69 0.00 0.00 174.62 173.06 1w3o s PRO 56 N 1.11 4.61 0.14 4.92 0.04 -1.26 -1.26 135.00 143.29 1w3o s PRO 56 Ca -0.01 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 1w3o s PRO 56 Cb -0.14 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.41 1w3o s PRO 56 CO -0.06 0.43 0.77 -0.48 0.04 0.00 0.00 177.00 177.70 1w3o s LEU 57 N -1.58 -0.37 0.46 -3.56 0.05 0.27 -4.99 118.68 108.95 1w3o s LEU 57 Ca 0.43 -0.20 -0.21 0.00 0.05 0.00 0.00 54.13 54.20 1w3o s LEU 57 Cb -0.21 2.38 -0.09 0.00 -2.05 0.00 0.00 46.19 46.22 1w3o s LEU 57 CO 0.26 -0.94 1.03 0.00 -0.55 0.00 0.00 176.35 176.15 1w3o s ALA 58 N -3.52 2.93 0.15 1.48 0.00 -1.26 -0.87 121.76 120.67 1w3o s ALA 58 Ca 0.06 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 1w3o s ALA 58 Cb -0.02 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1w3o s ALA 58 CO -0.05 -0.24 0.23 1.52 0.00 0.00 0.00 175.76 177.22 1w3o s TYR 59 N -1.94 0.44 -0.01 0.00 -0.85 -0.94 -4.44 117.35 109.62 1w3o s TYR 59 Ca 0.65 -0.82 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 1w3o s TYR 59 Cb -0.17 -0.14 0.01 0.00 0.38 0.00 0.00 41.96 42.05 1w3o s TYR 59 CO 0.21 -0.65 0.01 0.00 -1.52 0.00 0.00 175.55 173.59 1w3o s ALA 60 N -3.97 0.05 -0.15 9.51 0.00 -0.71 -4.69 121.76 121.81 1w3o s ALA 60 Ca 0.16 0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.98 1w3o s ALA 60 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1w3o s ALA 60 CO -0.01 -0.03 0.70 -0.47 0.00 0.00 0.00 175.76 175.95 1w3o s TYR 61 N 0.34 3.45 -0.60 0.00 5.04 -1.26 -0.44 117.35 123.88 1w3o s TYR 61 Ca -0.03 1.11 -0.02 0.00 -2.44 0.00 0.00 57.07 55.69 1w3o s TYR 61 Cb -0.04 -2.85 0.16 0.00 0.35 0.00 0.00 41.96 39.57 1w3o s TYR 61 CO -0.01 -0.10 0.41 1.03 -1.34 0.00 0.00 175.55 175.54 1w3o s ARG 62 N 1.60 2.48 0.34 4.97 0.52 0.04 -4.96 118.95 123.95 1w3o s ARG 62 Ca 0.34 -2.48 0.06 0.00 -0.52 0.00 0.00 55.73 53.13 1w3o s ARG 62 Cb -0.17 -3.69 0.63 0.00 0.52 0.00 0.00 34.95 32.24 1w3o s ARG 62 CO 0.13 -1.16 1.85 -1.00 0.02 0.00 0.00 175.30 175.14 1w3o h PRO 63 N 7.07 0.39 -0.14 3.54 0.13 -1.96 -1.65 132.00 139.38 1w3o h PRO 63 Ca -0.03 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1w3o h PRO 63 Cb 0.96 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1w3o h PRO 63 CO 0.71 0.51 -0.00 1.49 -0.23 0.00 0.00 178.00 180.48 1w3o h GLU 64 N 0.36 0.24 0.00 0.86 4.81 -1.94 -2.72 114.58 116.19 1w3o h GLU 64 Ca 0.07 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1w3o h GLU 64 Cb 0.44 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1w3o h GLU 64 CO 0.02 0.48 -0.05 1.96 -0.73 0.00 0.00 179.01 180.69 1w3o h GLN 65 N -0.02 0.00 -2.00 1.92 7.50 -1.97 -3.46 115.11 117.07 1w3o h GLN 65 Ca 0.04 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.04 1w3o h GLN 65 Cb 0.37 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.92 1w3o h GLN 65 CO 0.01 0.05 -0.22 0.41 -1.50 0.00 0.00 178.83 177.57 1w3o n GLY 66 N -0.80 0.25 3.28 3.46 0.00 -0.65 -4.97 105.19 105.76 1w3o n GLY 66 Ca -0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 1w3o n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1w3o s ASP 67 N -2.91 0.62 -0.02 1.61 1.47 -1.04 -1.56 116.67 114.83 1w3o s ASP 67 Ca 0.12 -1.47 0.06 0.00 1.18 0.00 0.00 52.55 52.44 1w3o s ASP 67 Cb -0.05 0.47 -0.01 0.00 -0.34 0.00 0.00 42.92 42.98 1w3o s ASP 67 CO 0.14 -0.96 -0.21 -0.76 0.68 0.00 0.00 175.17 174.06 1w3o s LEU 68 N -3.21 2.03 0.09 2.11 1.43 -0.52 -0.78 118.68 119.82 1w3o s LEU 68 Ca 0.38 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 1w3o s LEU 68 Cb 0.05 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 1w3o s LEU 68 CO 0.17 0.25 -0.14 0.68 0.23 0.00 0.00 176.35 177.54 1w3o s VAL 69 N -0.41 3.09 0.25 -1.59 -7.23 0.42 -0.61 120.40 114.33 1w3o s VAL 69 Ca 0.06 -1.30 -0.22 0.00 -1.81 0.00 0.00 61.98 58.70 1w3o s VAL 69 Cb -0.09 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.47 1w3o s VAL 69 CO 0.00 0.17 0.76 -0.72 -0.31 0.00 0.00 175.10 175.00 1w3o s TYR 70 N -1.12 -0.19 0.00 2.82 -0.85 -0.96 -1.74 117.35 115.32 1w3o s TYR 70 Ca 0.19 -0.23 0.02 0.00 -0.52 0.00 0.00 57.07 56.52 1w3o s TYR 70 Cb -0.11 0.69 -0.01 0.00 0.38 0.00 0.00 41.96 42.92 1w3o s TYR 70 CO 0.10 -1.16 -0.05 -3.38 -1.52 0.00 0.00 175.55 169.54 1w3o s HIS 71 N -3.81 0.49 -0.20 -3.49 -3.43 -1.26 -0.80 115.29 102.79 1w3o s HIS 71 Ca 0.11 -0.17 -0.28 0.00 -0.80 0.00 0.00 55.06 53.93 1w3o s HIS 71 Cb -0.05 -0.31 0.11 0.00 -1.43 0.00 0.00 32.58 30.90 1w3o s HIS 71 CO 0.06 -0.02 0.90 -0.08 -2.00 0.00 0.00 174.74 173.60 1w3o s THR 72 N -0.36 0.00 -1.19 -5.38 -1.32 -0.79 -4.87 115.64 101.72 1w3o s THR 72 Ca -0.00 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.64 1w3o s THR 72 Cb -0.03 -1.00 0.55 0.00 -1.51 0.00 0.00 72.50 70.51 1w3o s THR 72 CO -0.00 0.00 1.47 0.59 -2.21 0.00 0.00 174.62 174.47 1w3o n ASN 73 N 1.58 3.89 -4.71 8.08 4.13 -1.26 -4.36 115.26 122.60 1w3o n ASN 73 Ca -0.13 -2.25 -0.42 0.00 1.68 0.00 0.00 54.58 53.46 1w3o n ASN 73 Cb 0.57 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 38.33 1w3o n ASN 73 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1w3o s VAL 74 N -1.46 3.65 0.21 2.41 1.01 -1.26 -5.02 120.40 119.94 1w3o s VAL 74 Ca 0.41 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 1w3o s VAL 74 Cb 0.25 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1w3o s VAL 74 CO 0.23 0.08 0.14 0.68 0.00 0.00 0.00 175.10 176.23 1w3o s VAL 75 N 1.26 0.00 0.00 2.92 -7.23 -1.26 -5.16 120.40 110.92 1w3o s VAL 75 Ca 0.62 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1w3o s VAL 75 Cb -0.33 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1w3o s VAL 75 CO 0.29 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 1w3o n GLY 76 N -0.29 3.22 0.00 2.32 0.00 -1.26 -5.11 105.19 104.06 1w3o n GLY 76 Ca 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1w3o n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1w3o n ARG 77 N 0.00 0.00 -4.66 1.61 3.00 -1.26 -4.97 116.66 110.37 1w3o n ARG 77 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 1w3o n ARG 77 Cb 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 32.46 32.13 1w3o n ARG 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1w3o s LEU 78 N -1.49 3.10 0.49 6.15 1.43 -1.26 -5.03 118.68 122.07 1w3o s LEU 78 Ca 0.00 -0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 1w3o s LEU 78 Cb 0.00 -1.67 -0.07 0.00 0.03 0.00 0.00 46.19 44.48 1w3o s LEU 78 CO 0.00 0.36 1.11 -0.13 0.23 0.00 0.00 176.35 177.92 1w3o s ARG 79 N -0.78 3.67 -1.21 1.70 0.52 -1.26 -0.34 118.95 121.26 1w3o s ARG 79 Ca 0.12 1.59 -0.11 0.00 -0.52 0.00 0.00 55.73 56.82 1w3o s ARG 79 Cb -0.11 -2.21 0.20 0.00 0.52 0.00 0.00 34.95 33.35 1w3o s ARG 79 CO 0.01 -0.58 1.55 0.00 0.02 0.00 0.00 175.30 176.30 1w3o n ALA 80 N -0.83 4.57 -3.65 2.13 0.00 -0.63 -4.61 120.51 117.50 1w3o n ALA 80 Ca 0.09 -4.39 -0.02 0.00 0.00 0.00 0.00 53.44 49.13 1w3o n ALA 80 Cb 0.50 -2.88 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 1w3o n ALA 80 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1w3o s ASN 81 N 1.46 -0.36 -0.11 0.00 3.84 -1.26 -4.87 114.94 113.65 1w3o s ASN 81 Ca 0.39 0.58 -0.23 0.00 0.21 0.00 0.00 52.86 53.82 1w3o s ASN 81 Cb 0.01 1.07 -0.03 0.00 -0.55 0.00 0.00 41.25 41.75 1w3o s ASN 81 CO 0.00 -0.09 0.69 0.00 -2.79 0.00 0.00 177.10 174.91 1w3o s ALA 82 N 1.09 3.41 0.00 1.71 0.00 -1.26 -5.00 121.76 121.70 1w3o s ALA 82 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1w3o s ALA 82 Cb -0.03 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1w3o s ALA 82 CO -0.13 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1w3o n GLY 83 N 3.29 -0.45 0.07 0.00 0.00 -1.26 -4.82 105.19 102.02 1w3o n GLY 83 Ca -0.01 -2.26 -0.08 0.00 0.00 0.00 0.00 46.02 43.67 1w3o n GLY 83 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1w3o h GLN 84 N 6.53 0.03 -6.45 1.61 4.20 -1.98 -3.45 115.11 115.61 1w3o h GLN 84 Ca 0.00 -0.06 -0.43 0.00 0.06 0.00 0.00 58.65 58.23 1w3o h GLN 84 Cb 0.00 0.02 0.02 0.00 0.30 0.00 0.00 27.48 27.82 1w3o h GLN 84 CO 0.00 1.01 -0.25 0.20 -0.67 0.00 0.00 178.83 179.12 1w3o s GLY 85 N -4.72 1.94 0.03 3.46 0.00 -1.26 -4.55 107.32 102.22 1w3o s GLY 85 Ca 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.03 1w3o s GLY 85 CO 0.83 -1.51 -0.06 -2.38 0.00 0.00 0.00 173.10 169.98 1w3o s HIS 86 N -2.38 0.53 0.35 1.90 -3.43 0.40 -4.86 115.29 107.81 1w3o s HIS 86 Ca 0.55 -0.45 -0.29 0.00 -0.80 0.00 0.00 55.06 54.08 1w3o s HIS 86 Cb -0.10 -0.33 -0.11 0.00 -1.43 0.00 0.00 32.58 30.62 1w3o s HIS 86 CO 0.33 -0.10 1.48 -2.14 -2.00 0.00 0.00 174.74 172.32 1w3o s PRO 87 N -1.34 4.15 -0.02 -0.38 0.02 -1.26 0.61 135.00 136.78 1w3o s PRO 87 Ca -0.10 2.52 -0.04 0.00 0.02 0.00 0.00 61.00 63.40 1w3o s PRO 87 Cb -0.09 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1w3o s PRO 87 CO 0.00 -0.51 0.09 0.00 -0.33 0.00 0.00 177.00 176.26 1w3o s ALA 88 N -0.85 -0.22 -0.11 -1.55 0.00 0.07 -4.57 121.76 114.54 1w3o s ALA 88 Ca 0.55 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1w3o s ALA 88 Cb -0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1w3o s ALA 88 CO 0.58 -0.10 -0.13 0.99 0.00 0.00 0.00 175.76 177.10 1w3o s THR 89 N -0.45 3.09 -0.05 0.00 2.01 -0.80 -1.43 115.64 118.01 1w3o s THR 89 Ca -0.05 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.33 1w3o s THR 89 Cb -0.03 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1w3o s THR 89 CO 0.00 0.54 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.06 1w3o s LEU 90 N 0.06 1.96 -0.05 4.42 0.20 -0.15 -0.08 118.68 125.04 1w3o s LEU 90 Ca -0.05 -0.40 0.03 0.00 0.69 0.00 0.00 54.13 54.40 1w3o s LEU 90 Cb -0.14 -1.10 0.00 0.00 -0.43 0.00 0.00 46.19 44.52 1w3o s LEU 90 CO 0.04 0.18 -0.15 -0.70 -0.29 0.00 0.00 176.35 175.43 1w3o s GLU 91 N -0.02 1.76 -0.07 1.98 -6.30 0.36 -0.06 118.70 116.36 1w3o s GLU 91 Ca -0.04 -0.54 0.03 0.00 -2.50 0.00 0.00 54.97 51.92 1w3o s GLU 91 Cb -0.12 -1.49 0.00 0.00 0.00 0.00 0.00 34.13 32.52 1w3o s GLU 91 CO 0.03 0.16 -0.16 0.08 0.02 0.00 0.00 175.26 175.39 1w3o s VAL 92 N 0.26 1.44 0.11 3.70 1.01 -0.80 -0.98 120.40 125.13 1w3o s VAL 92 Ca -0.08 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1w3o s VAL 92 Cb -0.13 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1w3o s VAL 92 CO 0.03 0.42 -0.08 -0.94 0.00 0.00 0.00 175.10 174.53 1w3o s SER 93 N 0.38 1.30 -0.16 3.32 1.04 -1.26 -0.69 113.70 117.63 1w3o s SER 93 Ca -0.12 -0.98 -0.00 0.00 0.48 0.00 0.00 55.95 55.33 1w3o s SER 93 Cb -0.15 0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.03 1w3o s SER 93 CO 0.04 -0.41 -0.15 -1.61 0.98 0.00 0.00 173.24 172.09 1w3o s GLU 94 N -3.68 3.22 -0.21 4.02 2.02 0.18 -4.98 118.70 119.27 1w3o s GLU 94 Ca 0.12 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 1w3o s GLU 94 Cb 0.04 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 1w3o s GLU 94 CO -0.03 -0.02 -0.07 0.42 0.02 0.00 0.00 175.26 175.59 1w3o s ILE 95 N 0.90 3.23 0.00 -1.63 -1.09 -1.26 -0.99 121.20 120.36 1w3o s ILE 95 Ca -0.04 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 1w3o s ILE 95 Cb -0.15 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 1w3o s ILE 95 CO -0.01 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1w3o n GLY 96 N 4.61 1.11 3.93 6.18 0.00 0.26 -5.00 105.19 116.28 1w3o n GLY 96 Ca -0.18 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 1w3o n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w3o s GLN 97 N 2.91 3.51 0.16 1.61 -1.52 -1.26 -4.72 119.66 120.35 1w3o s GLN 97 Ca 0.00 -0.38 -0.30 0.00 -1.95 0.00 0.00 55.36 52.73 1w3o s GLN 97 Cb 0.00 -2.81 -0.07 0.00 -0.22 0.00 0.00 33.01 29.91 1w3o s GLN 97 CO 0.00 0.35 1.15 -0.06 -0.25 0.00 0.00 175.29 176.48 1w3o s PHE 98 N -1.97 3.51 -0.39 0.91 0.08 -1.26 -1.43 117.98 117.44 1w3o s PHE 98 Ca 0.38 1.50 -0.08 0.00 0.12 0.00 0.00 56.93 58.85 1w3o s PHE 98 Cb -0.10 -3.35 0.06 0.00 -0.57 0.00 0.00 43.02 39.06 1w3o s PHE 98 CO 0.30 -0.90 0.20 -0.51 -0.10 0.00 0.00 175.22 174.22 1w3o s LEU 99 N -0.09 4.83 0.68 -0.37 1.43 0.71 -4.96 118.68 120.91 1w3o s LEU 99 Ca 0.52 -1.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 1w3o s LEU 99 Cb -0.30 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1w3o s LEU 99 CO 0.34 -0.45 1.08 -2.16 0.23 0.00 0.00 176.35 175.39 1w3o s PRO 100 N 1.42 2.85 0.04 1.29 0.04 -1.26 -3.00 135.00 136.38 1w3o s PRO 100 Ca 0.02 1.17 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 1w3o s PRO 100 Cb -0.21 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.41 1w3o s PRO 100 CO 0.03 -1.18 0.56 0.45 0.04 0.00 0.00 177.00 176.90 1w3o s SER 101 N -3.15 -0.50 0.00 6.66 0.15 -1.26 -4.41 113.70 111.19 1w3o s SER 101 Ca 0.62 0.27 0.12 0.00 0.70 0.00 0.00 55.95 57.67 1w3o s SER 101 Cb -0.17 0.51 0.48 0.00 -1.71 0.00 0.00 66.02 65.13 1w3o s SER 101 CO 0.47 -0.72 1.35 -0.46 1.20 0.00 0.00 173.24 175.08 1w3o n ASN 102 N 0.45 1.20 -4.17 5.45 6.94 -1.26 -4.71 115.26 119.16 1w3o n ASN 102 Ca -0.18 -1.84 -0.34 0.00 -0.02 0.00 0.00 54.58 52.19 1w3o n ASN 102 Cb 0.60 -0.12 -0.15 0.00 -2.36 0.00 0.00 39.78 37.75 1w3o n ASN 102 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1w3o s SER 103 N -1.23 4.24 0.47 0.53 0.15 -1.26 -4.76 113.70 111.85 1w3o s SER 103 Ca 0.22 -0.94 0.18 0.00 0.70 0.00 0.00 55.95 56.11 1w3o s SER 103 Cb 0.11 -1.63 1.16 0.00 -1.71 0.00 0.00 66.02 63.95 1w3o s SER 103 CO 0.16 -0.13 2.03 1.55 1.20 0.00 0.00 173.24 178.05 1w3o h PRO 104 N 7.97 0.00 -0.15 5.44 0.13 -1.97 -1.87 132.00 141.56 1w3o h PRO 104 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1w3o h PRO 104 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1w3o h PRO 104 CO 0.56 0.16 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 1w3o n LEU 105 N -4.14 1.93 -0.36 1.56 7.99 -1.26 -3.29 117.00 119.44 1w3o n LEU 105 Ca -0.02 -0.76 0.12 0.00 -0.01 0.00 0.00 56.01 55.33 1w3o n LEU 105 Cb 0.23 -0.09 0.20 0.00 -0.11 0.00 0.00 43.42 43.65 1w3o n LEU 105 CO 0.34 0.38 0.49 -0.62 -1.51 0.00 0.00 177.39 176.47 1w3o n GLU 106 N 0.50 1.01 -1.78 3.23 -0.58 -0.71 -4.89 120.64 117.42 1w3o n GLU 106 Ca 0.17 -0.73 -0.42 0.00 -0.42 0.00 0.00 57.16 55.76 1w3o n GLU 106 Cb 0.39 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 1w3o n GLU 106 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1w3o s LEU 107 N -2.49 4.36 0.34 -4.62 1.43 -1.21 -4.66 118.68 111.84 1w3o s LEU 107 Ca 0.22 2.85 -0.17 0.00 -1.03 0.00 0.00 54.13 55.99 1w3o s LEU 107 Cb 0.19 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.86 1w3o s LEU 107 CO 0.55 -0.93 0.86 -0.94 0.23 0.00 0.00 176.35 176.12 1w3o s SER 108 N 0.97 0.01 -0.05 2.29 1.04 -1.16 -5.02 113.70 111.78 1w3o s SER 108 Ca 0.71 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 56.12 1w3o s SER 108 Cb -0.48 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1w3o s SER 108 CO 0.36 -1.53 -0.13 0.54 0.98 0.00 0.00 173.24 173.47 1w3o s VAL 109 N -2.22 1.16 0.18 5.02 0.11 -1.26 -0.21 120.40 123.18 1w3o s VAL 109 Ca 0.17 -0.54 -0.32 0.00 -2.93 0.00 0.00 61.98 58.37 1w3o s VAL 109 Cb -0.04 -1.02 -0.11 0.00 -1.53 0.00 0.00 36.38 33.68 1w3o s VAL 109 CO 0.10 0.35 1.63 -1.10 -3.33 0.00 0.00 175.10 172.75 1w3o s GLN 110 N 0.30 4.18 0.07 1.54 -0.21 -0.51 -4.90 119.66 120.13 1w3o s GLN 110 Ca -0.07 2.46 -0.17 0.00 0.02 0.00 0.00 55.36 57.59 1w3o s GLN 110 Cb -0.12 -3.14 0.04 0.00 1.00 0.00 0.00 33.01 30.79 1w3o s GLN 110 CO 0.02 -0.67 0.41 1.52 -2.12 0.00 0.00 175.29 174.45 1w3o s TYR 111 N 1.21 -0.25 -0.06 0.91 -0.85 -0.03 -0.58 117.35 117.71 1w3o s TYR 111 Ca 0.72 0.11 0.02 0.00 -0.52 0.00 0.00 57.07 57.40 1w3o s TYR 111 Cb -0.46 0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.13 1w3o s TYR 111 CO 0.32 -0.62 -0.11 1.03 -1.52 0.00 0.00 175.55 174.65 1w3o s ARG 112 N -2.95 1.48 -0.10 -3.49 0.52 -0.16 -0.83 118.95 113.42 1w3o s ARG 112 Ca -0.02 -0.36 -0.05 0.00 -0.52 0.00 0.00 55.73 54.77 1w3o s ARG 112 Cb 0.00 -1.27 0.05 0.00 0.52 0.00 0.00 34.95 34.25 1w3o s ARG 112 CO -0.06 0.03 0.24 0.45 0.02 0.00 0.00 175.30 175.99 1w3o s SER 113 N 0.61 -0.26 -0.10 0.23 0.15 -0.14 -0.65 113.70 113.54 1w3o s SER 113 Ca -0.12 0.52 0.02 0.00 0.70 0.00 0.00 55.95 57.06 1w3o s SER 113 Cb -0.15 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 1w3o s SER 113 CO 0.03 -0.16 -0.16 -0.69 1.20 0.00 0.00 173.24 173.45 1w3o s VAL 114 N 1.21 2.80 -0.16 4.45 1.01 0.14 -0.97 120.40 128.88 1w3o s VAL 114 Ca -0.09 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1w3o s VAL 114 Cb -0.10 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1w3o s VAL 114 CO -0.08 0.55 0.10 -0.04 0.00 0.00 0.00 175.10 175.63 1w3o s MET 115 N 0.12 3.82 -0.12 2.72 -1.94 0.08 -1.90 119.30 122.08 1w3o s MET 115 Ca -0.08 -0.25 0.02 0.00 -1.71 0.00 0.00 55.69 53.67 1w3o s MET 115 Cb -0.15 -3.24 -0.01 0.00 2.01 0.00 0.00 34.83 33.44 1w3o s MET 115 CO 0.05 0.46 -0.18 0.08 -0.01 0.00 0.00 175.02 175.42 1w3o s VAL 116 N -0.12 2.59 -0.13 -6.03 1.01 0.92 -1.02 120.40 117.62 1w3o s VAL 116 Ca 0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1w3o s VAL 116 Cb -0.12 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1w3o s VAL 116 CO 0.01 0.54 -0.09 -0.36 0.00 0.00 0.00 175.10 175.20 1w3o s PHE 117 N 0.43 2.90 0.00 5.22 0.08 -0.04 -0.98 117.98 125.60 1w3o s PHE 117 Ca -0.13 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.52 1w3o s PHE 117 Cb -0.17 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1w3o s PHE 117 CO 0.06 -0.05 0.00 0.41 -0.10 0.00 0.00 175.22 175.54 1w3o n GLY 118 N 3.29 1.31 3.23 4.36 0.00 -0.52 -0.45 105.19 116.41 1w3o n GLY 118 Ca -0.18 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 1w3o n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w3o s THR 119 N -2.41 2.36 -0.18 2.61 2.01 -0.82 -0.75 115.64 118.45 1w3o s THR 119 Ca 0.00 -0.88 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 1w3o s THR 119 Cb 0.00 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1w3o s THR 119 CO 0.00 0.54 0.11 0.00 -0.69 0.00 0.00 174.62 174.58 1w3o s ALA 120 N 0.73 3.66 0.12 7.40 0.00 0.20 -0.94 121.76 132.93 1w3o s ALA 120 Ca -0.08 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1w3o s ALA 120 Cb -0.16 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1w3o s ALA 120 CO 0.01 0.26 -0.20 -0.98 0.00 0.00 0.00 175.76 174.85 1w3o s ARG 121 N 0.06 1.16 0.21 0.00 1.70 -0.03 -0.45 118.95 121.60 1w3o s ARG 121 Ca 0.08 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 53.81 1w3o s ARG 121 Cb -0.11 -1.35 -0.08 0.00 -0.57 0.00 0.00 34.95 32.84 1w3o s ARG 121 CO -0.00 0.30 1.02 0.54 -1.08 0.00 0.00 175.30 176.07 1w3o s VAL 122 N -1.47 3.99 0.20 4.99 0.11 -1.26 -1.31 120.40 125.65 1w3o s VAL 122 Ca 0.09 1.85 0.03 0.00 -2.93 0.00 0.00 61.98 61.02 1w3o s VAL 122 Cb -0.09 -4.18 -0.03 0.00 -1.53 0.00 0.00 36.38 30.55 1w3o s VAL 122 CO 0.05 0.38 0.34 -0.76 -3.33 0.00 0.00 175.10 171.78 1w3o s LEU 123 N -0.79 4.30 0.11 2.54 1.43 0.11 -4.92 118.68 121.46 1w3o s LEU 123 Ca 0.45 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1w3o s LEU 123 Cb -0.27 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 1w3o s LEU 123 CO 0.34 -0.02 -0.09 0.00 0.23 0.00 0.00 176.35 176.81 1w3o s ALA 124 N -1.88 1.15 0.00 4.21 0.00 -1.26 -4.62 121.76 119.36 1w3o s ALA 124 Ca 0.35 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1w3o s ALA 124 Cb -0.10 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1w3o s ALA 124 CO 0.29 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.32 1w3o n GLY 125 N 0.09 3.24 0.21 0.00 0.00 -1.26 -2.16 105.19 105.31 1w3o n GLY 125 Ca -0.13 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.74 1w3o n GLY 125 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1w3o h GLU 126 N 0.00 0.00 -0.23 1.61 4.39 -1.98 -0.42 114.58 117.95 1w3o h GLU 126 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1w3o h GLU 126 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1w3o h GLU 126 CO 0.00 0.29 0.14 -0.44 -1.16 0.00 0.00 179.01 177.84 1w3o h ASP 127 N 0.00 0.27 -0.35 1.42 3.32 -1.84 0.61 116.42 119.85 1w3o h ASP 127 Ca -0.00 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1w3o h ASP 127 Cb 0.71 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1w3o h ASP 127 CO 0.04 0.22 -0.01 0.00 -1.72 0.00 0.00 179.24 177.77 1w3o h ALA 128 N 1.06 0.47 -0.50 3.45 0.00 -1.15 -1.63 119.26 120.96 1w3o h ALA 128 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1w3o h ALA 128 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1w3o h ALA 128 CO -0.02 0.24 0.32 -0.09 0.00 0.00 0.00 179.25 179.70 1w3o h ARG 129 N 0.43 0.67 -0.53 0.00 2.43 -0.96 -0.99 114.38 115.42 1w3o h ARG 129 Ca 0.10 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1w3o h ARG 129 Cb 0.46 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1w3o h ARG 129 CO 0.02 0.46 0.15 0.00 -1.51 0.00 0.00 179.97 179.09 1w3o h ALA 130 N 1.17 0.70 -0.00 2.80 0.00 -0.83 -0.28 119.26 122.82 1w3o h ALA 130 Ca 0.18 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1w3o h ALA 130 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1w3o h ALA 130 CO -0.04 0.38 -0.04 0.00 0.00 0.00 0.00 179.25 179.55 1w3o h ALA 131 N 1.02 -0.04 -0.96 0.00 0.00 -1.15 -0.30 119.26 117.83 1w3o h ALA 131 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1w3o h ALA 131 Cb 0.30 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1w3o h ALA 131 CO -0.00 -0.54 0.63 -0.07 0.00 0.00 0.00 179.25 179.27 1w3o h LEU 132 N -0.08 1.05 0.15 0.00 3.38 -1.07 -0.14 115.31 118.60 1w3o h LEU 132 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1w3o h LEU 132 Cb 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1w3o h LEU 132 CO -0.05 0.72 -0.07 0.74 0.09 0.00 0.00 178.44 179.87 1w3o h THR 133 N 1.22 0.93 -0.59 0.22 2.02 -0.75 -0.20 112.91 115.76 1w3o h THR 133 Ca 0.38 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 67.31 1w3o h THR 133 Cb -0.00 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 1w3o h THR 133 CO -0.12 0.08 0.26 0.74 0.37 0.00 0.00 175.52 176.85 1w3o h THR 134 N -0.36 0.86 0.40 3.16 2.02 -0.78 -0.58 112.91 117.63 1w3o h THR 134 Ca -0.02 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1w3o h THR 134 Cb 0.29 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1w3o h THR 134 CO 0.03 0.09 -0.30 0.25 0.37 0.00 0.00 175.52 175.97 1w3o h LEU 135 N 0.49 -0.77 -0.86 2.58 5.85 -0.82 -1.28 115.31 120.50 1w3o h LEU 135 Ca 0.28 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.08 1w3o h LEU 135 Cb 0.27 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1w3o h LEU 135 CO -0.24 -0.45 0.56 0.28 -0.34 0.00 0.00 178.44 178.25 1w3o h SER 136 N -0.69 0.95 1.41 1.25 0.02 -0.78 -2.24 113.55 113.47 1w3o h SER 136 Ca -0.04 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1w3o h SER 136 Cb 0.59 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1w3o h SER 136 CO 0.01 0.67 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.92 1w3o h GLU 137 N 1.11 0.00 -0.00 3.45 5.08 -1.03 -1.79 114.58 121.40 1w3o h GLU 137 Ca 0.33 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.53 1w3o h GLU 137 Cb -0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1w3o h GLU 137 CO -0.09 0.12 -0.60 -0.09 -1.00 0.00 0.00 179.01 177.34 1w3o h ARG 138 N 0.00 0.41 0.00 2.33 9.65 -0.85 -3.33 114.38 122.58 1w3o h ARG 138 Ca -0.00 -0.44 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1w3o h ARG 138 Cb 0.85 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1w3o h ARG 138 CO 0.01 1.10 -0.68 1.33 2.80 0.00 0.00 179.97 184.54 1w3o n VAL 139 N -4.22 0.09 -3.76 0.20 0.24 -0.88 -4.05 118.33 105.96 1w3o n VAL 139 Ca -0.10 -0.10 -0.28 0.00 -2.04 0.00 0.00 64.34 61.82 1w3o n VAL 139 Cb 0.67 0.25 -0.11 0.00 -1.47 0.00 0.00 33.84 33.18 1w3o n VAL 139 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1w3o n PHE 140 N -1.70 2.45 -1.93 6.34 3.72 -0.68 -5.09 117.46 120.57 1w3o n PHE 140 Ca 0.04 -4.10 -0.42 0.00 -0.05 0.00 0.00 57.45 52.92 1w3o n PHE 140 Cb 0.37 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 1w3o n PHE 140 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1w3o s PRO 141 N -1.27 4.21 0.00 -1.08 0.02 -1.25 -1.48 135.00 134.15 1w3o s PRO 141 Ca 0.28 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1w3o s PRO 141 Cb -0.01 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1w3o s PRO 141 CO -0.16 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 1w3o n GLY 142 N 3.42 2.51 3.78 0.52 0.00 -1.26 -5.06 105.19 109.10 1w3o n GLY 142 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1w3o n GLY 142 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1w3o s LEU 143 N 0.00 4.25 -0.15 0.99 0.20 -0.55 -5.00 118.68 118.42 1w3o s LEU 143 Ca 0.00 1.90 -0.02 0.00 0.69 0.00 0.00 54.13 56.71 1w3o s LEU 143 Cb 0.00 -4.10 0.04 0.00 -0.43 0.00 0.00 46.19 41.70 1w3o s LEU 143 CO 0.00 -0.23 0.00 -0.54 -0.29 0.00 0.00 176.35 175.29 1w3o s LYS 144 N -2.28 0.86 0.16 1.98 -0.14 -1.26 -4.63 119.74 114.43 1w3o s LYS 144 Ca 0.53 -0.28 -0.32 0.00 -1.36 0.00 0.00 55.97 54.55 1w3o s LYS 144 Cb -0.19 -1.73 -0.10 0.00 -1.68 0.00 0.00 37.83 34.13 1w3o s LYS 144 CO 0.25 -0.48 1.60 0.08 -0.76 0.00 0.00 175.35 176.04 1w3o s VAL 145 N 1.83 2.58 0.00 3.17 1.01 -1.26 -0.75 120.40 126.99 1w3o s VAL 145 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1w3o s VAL 145 Cb -0.15 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1w3o s VAL 145 CO -0.07 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1w3o n GLY 146 N 3.82 0.57 1.01 4.51 0.00 -0.25 -4.83 105.19 110.01 1w3o n GLY 146 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1w3o n GLY 146 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1w3o n GLU 147 N -2.00 0.00 -0.24 1.61 2.13 -0.90 -4.72 120.64 116.52 1w3o n GLU 147 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1w3o n GLU 147 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 1w3o n GLU 147 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1w3o h THR 148 N 0.00 0.99 -2.10 6.31 2.02 -1.26 -3.43 112.91 115.44 1w3o h THR 148 Ca 0.00 -0.25 -0.55 0.00 0.77 0.00 0.00 66.41 66.39 1w3o h THR 148 Cb 0.00 0.20 -0.08 0.00 -1.74 0.00 0.00 68.15 66.53 1w3o h THR 148 CO 0.00 0.13 -0.59 0.42 0.37 0.00 0.00 175.52 175.85 1w3o s THR 149 N -6.10 3.46 0.80 3.16 -4.23 -1.14 -4.99 115.64 106.60 1w3o s THR 149 Ca -0.13 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.49 1w3o s THR 149 Cb 0.16 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 71.11 1w3o s THR 149 CO 0.76 -0.31 1.16 0.00 -0.54 0.00 0.00 174.62 175.69 1w3o s ARG 150 N -3.75 1.79 0.80 3.99 1.70 -1.26 -1.09 118.95 121.12 1w3o s ARG 150 Ca 0.34 1.57 -0.13 0.00 -0.47 0.00 0.00 55.73 57.03 1w3o s ARG 150 Cb -0.05 -1.81 0.08 0.00 -0.57 0.00 0.00 34.95 32.59 1w3o s ARG 150 CO 0.22 -2.06 1.20 -2.14 -1.08 0.00 0.00 175.30 171.43 1w3o s PRO 151 N -4.35 1.69 -0.17 3.89 0.02 -1.26 -3.76 135.00 131.07 1w3o s PRO 151 Ca 0.69 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 63.13 1w3o s PRO 151 Cb -0.24 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 1w3o s PRO 151 CO 0.51 -2.16 1.34 0.42 -0.33 0.00 0.00 177.00 176.78 1w3o s ILE 152 N -2.19 4.13 0.53 2.83 1.01 -1.26 -4.96 121.20 121.30 1w3o s ILE 152 Ca 0.72 1.35 -0.02 0.00 0.00 0.00 0.00 60.65 62.70 1w3o s ILE 152 Cb -0.28 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1w3o s ILE 152 CO 0.50 -0.18 0.79 -0.94 0.00 0.00 0.00 174.94 175.12 1w3o s SER 153 N 2.40 5.59 0.35 3.58 1.04 -1.26 -4.98 113.70 120.43 1w3o s SER 153 Ca 0.58 0.41 0.03 0.00 0.48 0.00 0.00 55.95 57.46 1w3o s SER 153 Cb -0.23 -1.47 0.66 0.00 0.10 0.00 0.00 66.02 65.08 1w3o s SER 153 CO 0.19 -0.96 1.98 -0.33 0.98 0.00 0.00 173.24 175.09 1w3o h GLU 154 N 0.07 0.71 -0.34 4.02 4.39 -2.00 -2.31 114.58 119.13 1w3o h GLU 154 Ca -0.45 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1w3o h GLU 154 Cb 1.26 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1w3o h GLU 154 CO 0.58 0.53 0.21 0.22 -1.16 0.00 0.00 179.01 179.39 1w3o h ASP 155 N 0.72 0.40 -0.53 1.42 1.82 -1.99 -1.72 116.42 116.54 1w3o h ASP 155 Ca 0.19 -0.03 0.11 0.00 -0.39 0.00 0.00 57.03 56.90 1w3o h ASP 155 Cb 0.03 -0.10 -0.09 0.00 0.68 0.00 0.00 39.33 39.84 1w3o h ASP 155 CO -0.03 0.31 -0.08 0.44 -1.61 0.00 0.00 179.24 178.28 1w3o h ASP 156 N 0.44 -0.38 0.16 2.28 3.32 -1.85 -1.81 116.42 118.58 1w3o h ASP 156 Ca 0.12 0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 1w3o h ASP 156 Cb -0.02 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1w3o h ASP 156 CO -0.02 -0.14 -0.37 -0.07 -1.72 0.00 0.00 179.24 176.92 1w3o h LEU 157 N 0.04 0.31 -1.34 1.55 3.38 -1.00 -2.47 115.31 115.77 1w3o h LEU 157 Ca 0.26 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1w3o h LEU 157 Cb 0.40 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1w3o h LEU 157 CO -0.50 0.65 -0.14 0.11 0.09 0.00 0.00 178.44 178.65 1w3o h LYS 158 N 0.25 0.00 -0.03 1.13 1.57 -0.48 -2.93 116.57 116.08 1w3o h LYS 158 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1w3o h LYS 158 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1w3o h LYS 158 CO 0.06 0.14 -0.04 0.54 -0.57 0.00 0.00 179.45 179.58 1w3o n ARG 159 N -3.32 2.09 -4.72 3.15 1.74 -0.95 -4.92 116.66 109.73 1w3o n ARG 159 Ca -0.00 -1.79 -0.25 0.00 -0.77 0.00 0.00 57.85 55.05 1w3o n ARG 159 Cb 0.36 -1.44 -0.16 0.00 -1.02 0.00 0.00 32.46 30.21 1w3o n ARG 159 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1w3o s THR 160 N -1.93 1.28 -0.39 0.55 2.01 -1.11 -5.02 115.64 111.02 1w3o s THR 160 Ca 0.26 -0.61 -0.18 0.00 0.31 0.00 0.00 61.69 61.46 1w3o s THR 160 Cb 0.19 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.59 1w3o s THR 160 CO 0.30 0.38 0.50 -0.44 -0.69 0.00 0.00 174.62 174.67 1w3o s SER 161 N 0.21 6.26 -0.21 3.53 0.01 -1.26 -4.88 113.70 117.36 1w3o s SER 161 Ca -0.06 -0.35 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 1w3o s SER 161 Cb -0.12 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 1w3o s SER 161 CO 0.02 -0.56 0.02 -0.69 0.41 0.00 0.00 173.24 172.44 1w3o s VAL 162 N 2.35 4.13 0.09 3.43 1.01 -1.26 -1.89 120.40 128.26 1w3o s VAL 162 Ca 0.16 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1w3o s VAL 162 Cb -0.16 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1w3o s VAL 162 CO 0.14 0.41 -0.17 -0.31 0.00 0.00 0.00 175.10 175.17 1w3o s TYR 163 N 1.06 2.56 -0.19 5.22 2.02 0.02 0.07 117.35 128.11 1w3o s TYR 163 Ca 0.03 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1w3o s TYR 163 Cb -0.14 -1.39 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1w3o s TYR 163 CO 0.02 0.35 -0.13 0.45 -1.57 0.00 0.00 175.55 174.66 1w3o s SER 164 N -1.90 3.64 -0.47 2.29 0.15 -0.42 -2.26 113.70 114.73 1w3o s SER 164 Ca 0.17 -0.53 -0.15 0.00 0.70 0.00 0.00 55.95 56.15 1w3o s SER 164 Cb -0.11 -1.59 0.08 0.00 -1.71 0.00 0.00 66.02 62.70 1w3o s SER 164 CO 0.09 0.00 0.39 -0.22 1.20 0.00 0.00 173.24 174.70 1w3o s LEU 165 N 1.29 5.63 -0.26 3.45 0.20 0.22 -0.85 118.68 128.35 1w3o s LEU 165 Ca 0.04 -1.41 -0.27 0.00 0.69 0.00 0.00 54.13 53.17 1w3o s LEU 165 Cb -0.14 -2.16 0.01 0.00 -0.43 0.00 0.00 46.19 43.47 1w3o s LEU 165 CO -0.07 -0.66 0.98 -0.55 -0.29 0.00 0.00 176.35 175.76 1w3o s SER 166 N 2.65 6.96 0.01 3.68 0.15 -0.11 -1.44 113.70 125.58 1w3o s SER 166 Ca 0.04 1.16 -0.30 0.00 0.70 0.00 0.00 55.95 57.54 1w3o s SER 166 Cb -0.25 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.51 1w3o s SER 166 CO 0.06 -0.68 1.24 -0.63 1.20 0.00 0.00 173.24 174.43 1w3o s ILE 167 N 3.20 4.04 -0.25 6.45 1.01 -0.60 -1.95 121.20 133.09 1w3o s ILE 167 Ca 0.41 1.43 -0.17 0.00 0.00 0.00 0.00 60.65 62.32 1w3o s ILE 167 Cb -0.14 -3.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.27 1w3o s ILE 167 CO 0.09 0.05 -0.14 0.47 0.00 0.00 0.00 174.94 175.41 1w3o n ASP 168 N 4.68 1.92 -3.87 3.58 8.00 0.40 -4.97 116.55 126.29 1w3o n ASP 168 Ca 0.11 0.38 -0.09 0.00 0.71 0.00 0.00 54.79 55.89 1w3o n ASP 168 Cb 0.46 -0.88 -0.07 0.00 -0.02 0.00 0.00 41.12 40.62 1w3o n ASP 168 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1w3o s ARG 169 N -2.46 1.05 0.15 -1.24 0.52 -0.87 -5.04 118.95 111.06 1w3o s ARG 169 Ca -0.35 -1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 53.73 1w3o s ARG 169 Cb 0.11 0.38 0.01 0.00 0.52 0.00 0.00 34.95 35.97 1w3o s ARG 169 CO 0.52 -0.38 0.33 1.67 0.02 0.00 0.00 175.30 177.46 1w3o s TRP 170 N -3.90 0.15 -0.08 -0.53 -2.14 -1.26 -0.86 118.94 110.32 1w3o s TRP 170 Ca 0.10 -0.52 -0.04 0.00 2.66 0.00 0.00 56.10 58.31 1w3o s TRP 170 Cb 0.03 0.08 0.05 0.00 -3.10 0.00 0.00 33.47 30.53 1w3o s TRP 170 CO -0.06 -0.72 0.18 0.45 -2.66 0.00 0.00 176.95 174.15 1w3o s SER 171 N -2.90 0.13 0.02 -2.66 0.15 -0.19 -5.00 113.70 103.26 1w3o s SER 171 Ca 0.11 0.38 0.08 0.00 0.70 0.00 0.00 55.95 57.22 1w3o s SER 171 Cb 0.03 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.61 1w3o s SER 171 CO -0.05 -0.19 -0.21 -0.83 1.20 0.00 0.00 173.24 173.16 1w3o s GLY 172 N 1.61 1.47 -0.01 9.45 0.00 -1.26 -0.74 107.32 117.85 1w3o s GLY 172 Ca -0.05 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1w3o s GLY 172 CO -0.07 -1.05 0.00 1.25 0.00 0.00 0.00 173.10 173.24 1w3o s LYS 173 N -1.17 0.07 -0.07 2.90 2.20 -0.14 -1.56 119.74 121.96 1w3o s LYS 173 Ca 0.13 0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 1w3o s LYS 173 Cb -0.10 -0.15 0.02 0.00 -1.51 0.00 0.00 37.83 36.08 1w3o s LYS 173 CO 0.03 -0.04 -0.07 -2.00 -0.36 0.00 0.00 175.35 172.90 1w3o s GLU 174 N 0.35 1.24 -0.33 4.03 2.12 -0.56 -0.97 118.70 124.58 1w3o s GLU 174 Ca -0.03 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1w3o s GLU 174 Cb -0.05 -1.22 0.11 0.00 0.26 0.00 0.00 34.13 33.23 1w3o s GLU 174 CO -0.01 -0.13 0.11 1.21 -0.54 0.00 0.00 175.26 175.91 1w3o s ASN 175 N 1.19 4.06 -0.45 -1.70 3.84 -0.01 -4.76 114.94 117.12 1w3o s ASN 175 Ca -0.06 -1.86 0.09 0.00 0.21 0.00 0.00 52.86 51.24 1w3o s ASN 175 Cb -0.14 -0.99 0.35 0.00 -0.55 0.00 0.00 41.25 39.92 1w3o s ASN 175 CO -0.02 -0.39 0.81 1.87 -2.79 0.00 0.00 177.10 176.59 1w3o n TRP 176 N 4.57 1.70 -2.24 0.43 -0.00 -1.26 -0.85 117.44 119.78 1w3o n TRP 176 Ca 0.00 -3.89 -0.33 0.00 -0.00 0.00 0.00 57.50 53.29 1w3o n TRP 176 Cb 0.41 -0.45 -0.01 0.00 -0.00 0.00 0.00 31.31 31.26 1w3o n TRP 176 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1w3o s ALA 177 N -2.83 2.89 0.19 5.87 0.00 -1.26 -4.96 121.76 121.65 1w3o s ALA 177 Ca 0.43 0.32 0.13 0.00 0.00 0.00 0.00 51.96 52.84 1w3o s ALA 177 Cb 0.32 -3.19 0.34 0.00 0.00 0.00 0.00 23.12 20.60 1w3o s ALA 177 CO -0.10 -0.52 1.58 1.49 0.00 0.00 0.00 175.76 178.21 1w3o h GLU 178 N 0.75 0.00 -3.30 0.00 4.81 -2.03 -3.46 114.58 111.36 1w3o h GLU 178 Ca -0.47 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.57 1w3o h GLU 178 Cb 1.20 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.32 1w3o h GLU 178 CO 0.59 0.60 -0.51 -1.14 -0.73 0.00 0.00 179.01 177.82 1w3o s GLN 179 N -3.42 0.20 0.69 1.92 0.74 -1.26 -5.08 119.66 113.45 1w3o s GLN 179 Ca -0.00 0.25 -0.16 0.00 0.05 0.00 0.00 55.36 55.50 1w3o s GLN 179 Cb 0.11 0.09 0.02 0.00 1.10 0.00 0.00 33.01 34.33 1w3o s GLN 179 CO 0.75 -0.03 1.20 0.00 -0.55 0.00 0.00 175.29 176.66 1w3o s ALA 180 N 0.13 2.25 0.24 1.58 0.00 -1.26 -4.98 121.76 119.72 1w3o s ALA 180 Ca -0.00 0.89 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 1w3o s ALA 180 Cb -0.02 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1w3o s ALA 180 CO -0.00 -1.66 1.60 0.42 0.00 0.00 0.00 175.76 176.12 1w3o s ILE 181 N -1.91 2.26 0.36 0.00 1.01 -1.26 -4.96 121.20 116.70 1w3o s ILE 181 Ca 0.75 0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.67 1w3o s ILE 181 Cb -0.29 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1w3o s ILE 181 CO 0.42 0.02 0.34 -1.10 0.00 0.00 0.00 174.94 174.63 1w3o s GLN 182 N 0.30 2.72 -0.31 2.79 -1.52 -1.26 -4.67 119.66 117.72 1w3o s GLN 182 Ca 0.67 -1.32 -0.09 0.00 -1.95 0.00 0.00 55.36 52.67 1w3o s GLN 182 Cb -0.47 -2.50 -0.01 0.00 -0.22 0.00 0.00 33.01 29.82 1w3o s GLN 182 CO 0.39 0.01 0.14 -2.00 -0.25 0.00 0.00 175.29 173.59 1w3o s GLU 183 N -4.06 3.33 0.44 2.91 2.56 -1.26 -4.94 118.70 117.68 1w3o s GLU 183 Ca 0.43 -0.72 0.18 0.00 0.00 0.00 0.00 54.97 54.86 1w3o s GLU 183 Cb -0.06 -3.53 1.01 0.00 2.00 0.00 0.00 34.13 33.55 1w3o s GLU 183 CO 0.27 -0.40 1.94 1.49 -0.56 0.00 0.00 175.26 178.00 1w3o h GLU 184 N 8.33 0.00 -0.65 4.30 4.57 -1.98 -3.13 114.58 126.02 1w3o h GLU 184 Ca -0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1w3o h GLU 184 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1w3o h GLU 184 CO 0.61 0.24 0.00 -0.25 -1.18 0.00 0.00 179.01 178.43 1w3o n ASP 185 N -4.01 3.13 -4.23 1.04 8.00 -1.26 -4.75 116.55 114.47 1w3o n ASP 185 Ca -0.02 -2.34 -0.23 0.00 0.71 0.00 0.00 54.79 52.91 1w3o n ASP 185 Cb 0.31 -0.49 -0.13 0.00 -0.02 0.00 0.00 41.12 40.79 1w3o n ASP 185 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1w3o s TRP 186 N -1.80 1.59 0.06 1.24 -0.11 -1.18 -5.07 118.94 113.66 1w3o s TRP 186 Ca 0.29 -0.40 -0.38 0.00 1.22 0.00 0.00 56.10 56.83 1w3o s TRP 186 Cb 0.20 -0.91 -0.18 0.00 -1.50 0.00 0.00 33.47 31.09 1w3o s TRP 186 CO 0.12 0.12 1.23 -2.30 -4.62 0.00 0.00 176.95 171.50 1w3o n PRO 187 N 1.45 0.73 -1.86 5.86 -0.02 -1.26 -4.87 135.00 135.02 1w3o n PRO 187 Ca -0.19 0.26 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 1w3o n PRO 187 Cb 0.54 -1.84 0.05 0.00 -0.02 0.00 0.00 33.50 32.22 1w3o n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w3o s ALA 188 N 0.27 2.45 0.37 3.55 0.00 -1.26 -4.89 121.76 122.24 1w3o s ALA 188 Ca 0.86 0.98 -0.27 0.00 0.00 0.00 0.00 51.96 53.53 1w3o s ALA 188 Cb -1.06 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 18.49 1w3o s ALA 188 CO 0.51 -1.34 1.24 1.28 0.00 0.00 0.00 175.76 177.44 1w3o n LEU 189 N -1.88 3.45 -4.64 0.00 4.77 -1.26 -4.99 117.00 112.45 1w3o n LEU 189 Ca 0.14 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 56.99 1w3o n LEU 189 Cb 0.50 -1.46 0.18 0.00 -2.33 0.00 0.00 43.42 40.31 1w3o n LEU 189 CO 0.45 -0.69 0.62 -0.83 -1.33 0.00 0.00 177.39 175.61 1w3o s GLY 190 N -0.43 1.59 0.54 -0.72 0.00 -1.26 -4.94 107.32 102.10 1w3o s GLY 190 Ca 0.58 -0.12 0.21 0.00 0.00 0.00 0.00 44.72 45.39 1w3o s GLY 190 CO 0.60 0.47 2.15 -2.55 0.00 0.00 0.00 173.10 173.77 1w3o h PRO 191 N -1.98 0.00 0.00 2.90 0.11 -2.00 -1.82 132.00 129.22 1w3o h PRO 191 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1w3o h PRO 191 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1w3o h PRO 191 CO 0.53 0.00 0.29 1.05 -0.21 0.00 0.00 178.00 179.66 1w3o h GLU 192 N 0.00 0.00 0.00 1.05 9.09 -1.96 -1.79 114.58 120.97 1w3o h GLU 192 Ca 0.04 0.00 -0.40 0.00 0.05 0.00 0.00 59.36 59.05 1w3o h GLU 192 Cb 0.16 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.20 1w3o h GLU 192 CO -0.00 0.00 -2.24 0.91 0.05 0.00 0.00 179.01 177.73 1w3o n TRP 193 N -2.81 0.16 1.00 2.06 7.02 -0.68 -4.69 117.44 119.49 1w3o n TRP 193 Ca -0.02 0.07 0.10 0.00 -1.02 0.00 0.00 57.50 56.63 1w3o n TRP 193 Cb 0.33 -0.98 -0.11 0.00 -2.42 0.00 0.00 31.31 28.13 1w3o n TRP 193 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1w3o n LEU 194 N -4.30 1.07 -0.61 -0.99 4.77 -1.24 -4.91 117.00 110.81 1w3o n LEU 194 Ca -0.48 -0.52 0.13 0.00 -0.03 0.00 0.00 56.01 55.11 1w3o n LEU 194 Cb 0.83 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 42.33 1w3o n LEU 194 CO 0.07 0.26 0.81 0.61 -1.33 0.00 0.00 177.39 177.80