#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh1 s SER 2 N 0.00 3.65 -0.63 1.61 0.01 -1.26 -5.09 113.70 112.00 1wh1 s SER 2 Ca 0.00 -1.37 -0.25 0.00 1.31 0.00 0.00 55.95 55.64 1wh1 s SER 2 Cb 0.00 -0.50 0.05 0.00 0.21 0.00 0.00 66.02 65.77 1wh1 s SER 2 CO 0.00 -0.43 1.06 -0.55 0.41 0.00 0.00 173.24 173.73 1wh1 s SER 3 N 1.96 6.26 0.00 2.44 0.15 -1.26 -4.78 113.70 118.47 1wh1 s SER 3 Ca 0.09 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1wh1 s SER 3 Cb -0.16 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1wh1 s SER 3 CO -0.33 -1.46 0.00 0.61 1.20 0.00 0.00 173.24 173.26 1wh1 n GLY 4 N 5.23 -0.40 2.70 9.45 0.00 -1.26 -5.14 105.19 115.77 1wh1 n GLY 4 Ca 0.01 0.66 -0.28 0.00 0.00 0.00 0.00 46.02 46.41 1wh1 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh1 s SER 5 N 0.00 3.20 -0.39 1.61 0.01 -1.26 -5.06 113.70 111.82 1wh1 s SER 5 Ca 0.00 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.24 1wh1 s SER 5 Cb 0.00 -0.60 0.16 0.00 0.21 0.00 0.00 66.02 65.78 1wh1 s SER 5 CO 0.00 -0.35 0.30 -0.94 0.41 0.00 0.00 173.24 172.66 1wh1 s SER 6 N 1.85 1.94 0.00 2.44 1.04 -1.26 -5.04 113.70 114.67 1wh1 s SER 6 Ca 0.03 -2.66 0.00 0.00 0.48 0.00 0.00 55.95 53.79 1wh1 s SER 6 Cb -0.17 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.61 1wh1 s SER 6 CO -0.15 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1wh1 n GLY 7 N 3.35 2.45 3.12 7.32 0.00 -1.26 -5.08 105.19 115.08 1wh1 n GLY 7 Ca 0.22 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1wh1 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wh1 s ASP 8 N 0.00 4.76 -1.32 1.61 2.15 -1.26 -5.02 116.67 117.58 1wh1 s ASP 8 Ca 0.00 -1.45 -0.17 0.00 0.43 0.00 0.00 52.55 51.35 1wh1 s ASP 8 Cb 0.00 -1.66 0.04 0.00 -0.30 0.00 0.00 42.92 41.00 1wh1 s ASP 8 CO 0.00 -0.27 1.92 2.30 -0.17 0.00 0.00 175.17 178.95 1wh1 n ILE 9 N 4.52 3.56 -1.70 4.11 -5.35 -1.26 -4.73 119.36 118.51 1wh1 n ILE 9 Ca -0.11 -3.50 0.00 0.00 -0.27 0.00 0.00 62.75 58.87 1wh1 n ILE 9 Cb 0.43 -2.42 0.00 0.00 -1.74 0.00 0.00 39.64 35.90 1wh1 n ILE 9 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1wh1 n HIS 10 N 8.01 -4.45 -2.68 4.28 -0.00 -1.26 -5.05 115.22 114.07 1wh1 n HIS 10 Ca 0.50 2.32 -0.04 0.00 -0.00 0.00 0.00 57.72 60.50 1wh1 n HIS 10 Cb 0.44 -3.52 0.04 0.00 -0.00 0.00 0.00 29.99 26.94 1wh1 n HIS 10 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1wh1 n GLN 11 N 0.21 0.16 -3.64 1.57 -0.06 -1.26 -5.16 117.38 109.21 1wh1 n GLN 11 Ca 0.00 -0.94 -0.09 0.00 -2.00 0.00 0.00 57.00 53.97 1wh1 n GLN 11 Cb 0.00 -0.11 -0.07 0.00 -4.06 0.00 0.00 30.24 26.00 1wh1 n GLN 11 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1wh1 s GLU 12 N 0.88 0.52 -0.48 3.69 2.02 -1.26 -5.12 118.70 118.94 1wh1 s GLU 12 Ca 0.25 0.63 0.03 0.00 0.02 0.00 0.00 54.97 55.90 1wh1 s GLU 12 Cb 0.12 0.24 0.14 0.00 0.10 0.00 0.00 34.13 34.74 1wh1 s GLU 12 CO -0.10 -0.06 0.27 -1.64 0.02 0.00 0.00 175.26 173.74 1wh1 s MET 13 N 0.31 1.59 0.36 1.61 -1.94 -1.26 -5.09 119.30 114.88 1wh1 s MET 13 Ca 0.02 -2.31 0.04 0.00 -1.71 0.00 0.00 55.69 51.73 1wh1 s MET 13 Cb -0.05 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 34.05 1wh1 s MET 13 CO -0.06 -1.16 0.12 0.34 -0.01 0.00 0.00 175.02 174.25 1wh1 s ASP 14 N 0.00 2.32 0.58 3.03 2.15 -1.26 -5.07 116.67 118.43 1wh1 s ASP 14 Ca 0.18 -1.57 -0.19 0.00 0.43 0.00 0.00 52.55 51.40 1wh1 s ASP 14 Cb -0.23 0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.69 1wh1 s ASP 14 CO -0.02 -0.84 1.24 -0.13 -0.17 0.00 0.00 175.17 175.25 1wh1 s ARG 15 N -3.79 2.99 -0.42 4.34 1.81 -1.26 -4.84 118.95 117.78 1wh1 s ARG 15 Ca 0.30 1.92 -0.06 0.00 -1.72 0.00 0.00 55.73 56.17 1wh1 s ARG 15 Cb 0.05 -2.00 -0.16 0.00 -0.45 0.00 0.00 34.95 32.38 1wh1 s ARG 15 CO 0.15 -1.21 2.82 -0.85 -0.68 0.00 0.00 175.30 175.53 1wh1 n GLU 16 N -1.47 2.01 0.00 3.54 0.28 -1.26 -2.53 120.64 121.21 1wh1 n GLU 16 Ca 0.13 -1.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.00 1wh1 n GLU 16 Cb 0.49 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.22 1wh1 n GLU 16 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1wh1 n GLU 17 N 3.03 0.00 -1.20 3.44 0.28 -1.26 -5.15 120.64 119.79 1wh1 n GLU 17 Ca 0.43 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 57.14 1wh1 n GLU 17 Cb 0.54 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.58 1wh1 n GLU 17 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1wh1 s LEU 18 N 0.00 1.73 0.12 -1.84 1.43 -1.05 -4.73 118.68 114.35 1wh1 s LEU 18 Ca 0.00 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.36 1wh1 s LEU 18 Cb 0.00 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1wh1 s LEU 18 CO 0.00 -3.02 -0.10 -1.61 0.23 0.00 0.00 176.35 171.86 1wh1 s GLU 19 N -4.98 0.96 0.42 1.70 2.02 -0.65 -4.78 118.70 113.39 1wh1 s GLU 19 Ca 0.65 -1.34 0.07 0.00 0.02 0.00 0.00 54.97 54.37 1wh1 s GLU 19 Cb -0.18 -0.53 -0.04 0.00 0.10 0.00 0.00 34.13 33.48 1wh1 s GLU 19 CO 0.57 0.06 0.23 -0.51 0.02 0.00 0.00 175.26 175.63 1wh1 s LEU 20 N -2.93 3.15 -0.26 1.80 1.43 -1.26 0.21 118.68 120.81 1wh1 s LEU 20 Ca 0.13 -1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1wh1 s LEU 20 Cb 0.01 -1.54 0.15 0.00 0.03 0.00 0.00 46.19 44.84 1wh1 s LEU 20 CO -0.01 -0.59 0.44 -0.70 0.23 0.00 0.00 176.35 175.72 1wh1 s GLU 21 N -3.96 0.41 -0.37 1.70 2.12 -0.68 -4.77 118.70 113.15 1wh1 s GLU 21 Ca 0.42 0.64 -0.29 0.00 0.36 0.00 0.00 54.97 56.10 1wh1 s GLU 21 Cb 0.02 -0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.23 1wh1 s GLU 21 CO 0.23 -0.66 1.30 -2.00 -0.54 0.00 0.00 175.26 173.59 1wh1 s GLU 22 N 2.63 3.77 -0.23 4.30 2.12 -1.26 -3.50 118.70 126.53 1wh1 s GLU 22 Ca 0.15 1.02 -0.04 0.00 0.36 0.00 0.00 54.97 56.45 1wh1 s GLU 22 Cb -0.15 -3.93 -0.01 0.00 0.26 0.00 0.00 34.13 30.31 1wh1 s GLU 22 CO -0.18 -1.31 -0.03 0.08 -0.54 0.00 0.00 175.26 173.29 1wh1 s VAL 23 N 4.71 3.44 0.14 3.70 1.01 -0.82 -5.01 120.40 127.56 1wh1 s VAL 23 Ca 0.56 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1wh1 s VAL 23 Cb -0.14 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1wh1 s VAL 23 CO 0.27 0.39 0.43 -1.81 0.00 0.00 0.00 175.10 174.38 1wh1 s ASP 24 N 1.48 6.59 0.41 3.32 1.11 -1.26 -1.69 116.67 126.63 1wh1 s ASP 24 Ca 0.05 0.76 0.04 0.00 0.18 0.00 0.00 52.55 53.58 1wh1 s ASP 24 Cb -0.15 -2.16 -0.02 0.00 1.07 0.00 0.00 42.92 41.66 1wh1 s ASP 24 CO -0.03 0.08 0.13 -0.76 1.18 0.00 0.00 175.17 175.77 1wh1 s LEU 25 N -2.36 2.00 -0.05 1.23 1.43 -0.38 -4.57 118.68 115.98 1wh1 s LEU 25 Ca 0.39 -1.67 -0.07 0.00 -1.03 0.00 0.00 54.13 51.75 1wh1 s LEU 25 Cb -0.13 -0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.00 1wh1 s LEU 25 CO 0.21 -0.93 0.19 -0.47 0.23 0.00 0.00 176.35 175.58 1wh1 s TYR 26 N -3.21 -0.15 -0.59 0.29 5.04 -1.26 -3.09 117.35 114.37 1wh1 s TYR 26 Ca 0.24 0.36 0.06 0.00 -2.44 0.00 0.00 57.07 55.29 1wh1 s TYR 26 Cb 0.03 0.05 0.24 0.00 0.35 0.00 0.00 41.96 42.63 1wh1 s TYR 26 CO 0.15 -0.16 0.68 -2.13 -1.34 0.00 0.00 175.55 172.75 1wh1 n ARG 27 N 2.54 2.11 0.24 4.97 0.63 -1.21 -4.90 116.66 121.04 1wh1 n ARG 27 Ca -0.15 -4.37 0.15 0.00 -0.92 0.00 0.00 57.85 52.55 1wh1 n ARG 27 Cb 0.58 -2.06 0.62 0.00 0.45 0.00 0.00 32.46 32.05 1wh1 n ARG 27 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 1wh1 h MET 28 N 4.25 0.00 -2.49 -0.14 2.86 -1.97 -3.36 114.93 114.07 1wh1 h MET 28 Ca 0.17 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1wh1 h MET 28 Cb 0.71 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 32.10 1wh1 h MET 28 CO 0.75 0.00 -0.34 -0.80 1.06 0.00 0.00 176.91 177.58 1wh1 s ASN 29 N -4.26 -0.34 0.59 1.22 0.01 -1.26 -5.00 114.94 105.90 1wh1 s ASN 29 Ca -0.03 1.02 0.32 0.00 -0.71 0.00 0.00 52.86 53.46 1wh1 s ASN 29 Cb 0.09 1.34 1.29 0.00 0.41 0.00 0.00 41.25 44.38 1wh1 s ASN 29 CO 0.30 -0.23 1.59 -1.28 -1.51 0.00 0.00 177.10 175.97 1wh1 h SER 30 N 8.04 0.00 0.00 -1.22 0.87 -2.01 1.64 113.55 120.87 1wh1 h SER 30 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1wh1 h SER 30 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1wh1 h SER 30 CO 0.14 0.00 0.08 -0.61 -0.53 0.00 0.00 176.83 175.91 1wh1 h GLN 31 N 0.00 0.00 -6.38 2.24 4.15 -1.94 -3.40 115.11 109.77 1wh1 h GLN 31 Ca 0.47 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 59.35 1wh1 h GLN 31 Cb 2.39 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 30.05 1wh1 h GLN 31 CO -0.00 0.00 0.16 -0.51 -1.93 0.00 0.00 178.83 176.54 1wh1 s ASP 32 N -4.23 7.27 0.03 -0.69 1.11 0.56 -5.06 116.67 115.67 1wh1 s ASP 32 Ca -0.03 1.52 0.06 0.00 0.18 0.00 0.00 52.55 54.28 1wh1 s ASP 32 Cb 0.08 -2.47 -0.03 0.00 1.07 0.00 0.00 42.92 41.56 1wh1 s ASP 32 CO 0.24 0.10 -0.15 -1.59 1.18 0.00 0.00 175.17 174.95 1wh1 s LYS 33 N -0.52 2.19 0.31 8.23 -2.85 -1.26 -4.98 119.74 120.85 1wh1 s LYS 33 Ca 0.37 -0.92 0.05 0.00 -1.00 0.00 0.00 55.97 54.47 1wh1 s LYS 33 Cb -0.21 -2.27 0.70 0.00 -2.06 0.00 0.00 37.83 33.99 1wh1 s LYS 33 CO 0.24 0.55 1.80 -0.07 0.10 0.00 0.00 175.35 177.98 1wh1 h LEU 34 N 4.50 0.81 0.61 2.77 -0.00 -1.97 -3.00 115.31 119.05 1wh1 h LEU 34 Ca -0.48 0.08 -0.23 0.00 -0.00 0.00 0.00 57.88 57.25 1wh1 h LEU 34 Cb 1.16 -0.08 0.03 0.00 -0.00 0.00 0.00 40.66 41.77 1wh1 h LEU 34 CO 0.49 0.34 -0.34 0.61 -0.00 0.00 0.00 178.44 179.55 1wh1 n GLY 35 N -1.35 -0.02 2.73 0.83 0.00 -1.26 -3.01 105.19 103.11 1wh1 n GLY 35 Ca 0.22 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1wh1 n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wh1 s LEU 36 N -3.88 1.09 0.41 0.99 0.05 -1.26 -0.17 118.68 115.91 1wh1 s LEU 36 Ca 0.14 -0.75 -0.11 0.00 0.05 0.00 0.00 54.13 53.46 1wh1 s LEU 36 Cb -0.06 -0.56 -0.06 0.00 -2.05 0.00 0.00 46.19 43.45 1wh1 s LEU 36 CO 0.17 -0.30 0.78 -0.89 -0.55 0.00 0.00 176.35 175.56 1wh1 s THR 37 N 1.88 4.77 0.27 5.48 2.01 0.15 -4.96 115.64 125.25 1wh1 s THR 37 Ca -0.00 0.65 0.08 0.00 0.31 0.00 0.00 61.69 62.72 1wh1 s THR 37 Cb -0.17 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1wh1 s THR 37 CO -0.08 -0.54 -0.11 0.54 -0.69 0.00 0.00 174.62 173.74 1wh1 s VAL 38 N -2.40 1.88 0.17 3.82 0.11 -1.26 -0.68 120.40 122.03 1wh1 s VAL 38 Ca 0.52 -2.20 -0.18 0.00 -2.93 0.00 0.00 61.98 57.19 1wh1 s VAL 38 Cb -0.10 -2.36 0.04 0.00 -1.53 0.00 0.00 36.38 32.43 1wh1 s VAL 38 CO 0.32 -0.37 0.50 0.00 -3.33 0.00 0.00 175.10 172.21 1wh1 s TYR 40 N -3.83 2.86 0.00 0.00 1.51 -1.26 -2.47 117.35 114.16 1wh1 s TYR 40 Ca 0.06 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1wh1 s TYR 40 Cb -0.00 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 1wh1 s TYR 40 CO -0.08 -0.38 0.00 0.54 -1.11 0.00 0.00 175.55 174.53 1wh1 n ARG 41 N -1.84 0.00 0.00 -0.62 1.74 -1.26 -4.98 116.66 109.70 1wh1 n ARG 41 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1wh1 n ARG 41 Cb 0.59 -0.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 1wh1 n ARG 41 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1wh1 n THR 42 N -2.10 0.00 -1.81 0.55 -1.04 -1.26 -4.79 114.28 103.83 1wh1 n THR 42 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1wh1 n THR 42 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1wh1 n THR 42 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1wh1 n ASP 43 N 8.57 -3.88 -3.66 8.00 9.92 -1.26 -4.80 116.55 129.45 1wh1 n ASP 43 Ca 0.00 0.27 -0.08 0.00 -0.53 0.00 0.00 54.79 54.45 1wh1 n ASP 43 Cb 0.00 -3.46 -0.08 0.00 -0.64 0.00 0.00 41.12 36.94 1wh1 n ASP 43 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1wh1 s ASP 44 N -2.11 -0.82 0.07 -2.24 2.15 -1.26 -5.02 116.67 107.45 1wh1 s ASP 44 Ca 0.00 1.33 0.25 0.00 0.43 0.00 0.00 52.55 54.56 1wh1 s ASP 44 Cb 0.00 1.25 0.55 0.00 -0.30 0.00 0.00 42.92 44.42 1wh1 s ASP 44 CO 0.00 -0.23 1.47 -0.62 -0.17 0.00 0.00 175.17 175.62 1wh1 n GLU 45 N 4.38 0.16 -0.03 4.34 1.02 -1.26 -3.87 120.64 125.38 1wh1 n GLU 45 Ca -0.20 0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 56.86 1wh1 n GLU 45 Cb 0.57 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 1wh1 n GLU 45 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wh1 h ASP 46 N 0.00 0.14 -1.46 1.62 3.32 -1.98 -3.47 116.42 114.60 1wh1 h ASP 46 Ca 0.00 -0.61 0.23 0.00 0.02 0.00 0.00 57.03 56.67 1wh1 h ASP 46 Cb 0.64 -0.04 -0.32 0.00 0.22 0.00 0.00 39.33 39.82 1wh1 h ASP 46 CO 0.00 0.73 0.73 -0.62 -1.72 0.00 0.00 179.24 178.36 1wh1 s ASP 47 N -6.00 -0.02 0.00 6.45 2.15 -1.25 -5.14 116.67 112.85 1wh1 s ASP 47 Ca -0.16 0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.85 1wh1 s ASP 47 Cb 0.02 1.01 0.00 0.00 -0.30 0.00 0.00 42.92 43.65 1wh1 s ASP 47 CO 0.71 -0.00 0.00 -0.38 -0.17 0.00 0.00 175.17 175.33 1wh1 n ILE 48 N 3.44 0.00 0.00 4.11 5.41 -1.26 -4.80 119.36 126.26 1wh1 n ILE 48 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1wh1 n ILE 48 Cb 0.56 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.20 1wh1 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wh1 n GLY 49 N 0.00 3.74 3.72 7.39 0.00 -1.26 -4.77 105.19 114.02 1wh1 n GLY 49 Ca 0.00 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1wh1 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh1 s ILE 50 N 0.00 4.85 0.16 -0.61 1.09 -1.26 -4.26 121.20 121.17 1wh1 s ILE 50 Ca 0.00 1.74 0.05 0.00 -1.10 0.00 0.00 60.65 61.34 1wh1 s ILE 50 Cb 0.00 -4.17 -0.05 0.00 -1.06 0.00 0.00 42.46 37.18 1wh1 s ILE 50 CO 0.00 0.26 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.70 1wh1 s TYR 51 N 0.53 1.34 -0.20 3.97 1.51 -1.03 -0.61 117.35 122.86 1wh1 s TYR 51 Ca 0.43 -0.76 -0.28 0.00 -1.01 0.00 0.00 57.07 55.45 1wh1 s TYR 51 Cb -0.20 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1wh1 s TYR 51 CO 0.24 0.10 0.98 0.42 -1.11 0.00 0.00 175.55 176.17 1wh1 s ILE 52 N -3.30 4.75 -0.13 2.71 -1.09 0.09 -0.92 121.20 123.31 1wh1 s ILE 52 Ca 0.19 1.92 -0.17 0.00 -2.23 0.00 0.00 60.65 60.35 1wh1 s ILE 52 Cb 0.03 -4.26 -0.25 0.00 -1.58 0.00 0.00 42.46 36.39 1wh1 s ILE 52 CO 0.02 -0.11 0.47 -1.28 -1.23 0.00 0.00 174.94 172.81 1wh1 h SER 53 N 7.41 0.27 -4.99 3.58 0.87 -1.14 -1.55 113.55 117.99 1wh1 h SER 53 Ca -0.23 -0.79 -0.17 0.00 -1.23 0.00 0.00 61.79 59.37 1wh1 h SER 53 Cb 1.09 -0.09 -0.21 0.00 -0.44 0.00 0.00 62.40 62.76 1wh1 h SER 53 CO 0.92 1.57 -0.70 -1.61 -0.53 0.00 0.00 176.83 176.49 1wh1 s GLU 54 N -2.44 0.34 -0.15 2.24 2.02 -1.18 -4.78 118.70 114.76 1wh1 s GLU 54 Ca -0.22 -0.67 -0.04 0.00 0.02 0.00 0.00 54.97 54.06 1wh1 s GLU 54 Cb 0.04 0.10 0.06 0.00 0.10 0.00 0.00 34.13 34.43 1wh1 s GLU 54 CO 0.72 -0.05 0.11 -1.50 0.02 0.00 0.00 175.26 174.56 1wh1 s ILE 55 N -1.65 -0.15 0.32 -1.63 -1.16 -1.26 0.32 121.20 115.99 1wh1 s ILE 55 Ca -0.14 -0.02 -0.29 0.00 -0.51 0.00 0.00 60.65 59.70 1wh1 s ILE 55 Cb -0.09 -0.50 -0.10 0.00 0.61 0.00 0.00 42.46 42.38 1wh1 s ILE 55 CO -0.02 -0.16 1.27 -1.81 -2.81 0.00 0.00 174.94 171.41 1wh1 s ASP 56 N 2.19 6.87 0.48 4.50 1.11 0.76 -4.91 116.67 127.67 1wh1 s ASP 56 Ca 0.03 2.60 0.27 0.00 0.18 0.00 0.00 52.55 55.64 1wh1 s ASP 56 Cb -0.15 -2.64 0.82 0.00 1.07 0.00 0.00 42.92 42.02 1wh1 s ASP 56 CO -0.08 -0.46 1.78 1.55 1.18 0.00 0.00 175.17 179.14 1wh1 h PRO 57 N 3.52 0.00 -2.70 8.23 0.13 -1.96 -3.35 132.00 135.88 1wh1 h PRO 57 Ca -0.48 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.03 1wh1 h PRO 57 Cb 1.22 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.94 1wh1 h PRO 57 CO 0.66 0.05 -0.53 0.09 -0.23 0.00 0.00 178.00 178.04 1wh1 n ASN 58 N -3.13 3.48 -3.82 1.44 3.02 -1.26 -4.44 115.26 110.55 1wh1 n ASN 58 Ca 0.02 -3.32 -0.09 0.00 -0.03 0.00 0.00 54.58 51.16 1wh1 n ASN 58 Cb 0.44 -0.74 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 1wh1 n ASN 58 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wh1 s SER 59 N -1.88 -0.03 0.22 6.41 1.04 -1.25 -4.97 113.70 113.23 1wh1 s SER 59 Ca 0.32 -0.61 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 1wh1 s SER 59 Cb 0.04 0.43 0.24 0.00 0.10 0.00 0.00 66.02 66.83 1wh1 s SER 59 CO -0.09 -0.85 1.47 -0.38 0.98 0.00 0.00 173.24 174.37 1wh1 n ILE 60 N -0.18 -0.49 0.36 -1.02 5.41 -1.13 0.17 119.36 122.47 1wh1 n ILE 60 Ca -0.12 2.21 -0.14 0.00 1.00 0.00 0.00 62.75 65.70 1wh1 n ILE 60 Cb 0.63 -2.93 -0.07 0.00 -0.71 0.00 0.00 39.64 36.56 1wh1 n ILE 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wh1 h ALA 61 N 1.34 -1.13 -0.98 -1.39 0.00 -1.79 0.53 119.26 115.82 1wh1 h ALA 61 Ca 0.34 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 55.29 1wh1 h ALA 61 Cb 0.57 0.36 -0.18 0.00 0.00 0.00 0.00 17.79 18.53 1wh1 h ALA 61 CO -0.94 -1.07 -0.08 0.00 0.00 0.00 0.00 179.25 177.16 1wh1 h ALA 62 N -1.49 0.97 0.23 0.00 0.00 -1.00 2.11 119.26 120.08 1wh1 h ALA 62 Ca -0.09 0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1wh1 h ALA 62 Cb 0.70 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wh1 h ALA 62 CO 0.15 -0.50 -0.12 0.87 0.00 0.00 0.00 179.25 179.65 1wh1 h LYS 63 N 0.01 -0.32 0.00 0.00 1.57 0.19 -3.43 116.57 114.58 1wh1 h LYS 63 Ca 0.55 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 1wh1 h LYS 63 Cb 1.03 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1wh1 h LYS 63 CO -0.96 -0.21 0.00 -0.25 -0.57 0.00 0.00 179.45 177.46 1wh1 n ASP 64 N -5.24 0.00 -2.70 0.86 9.92 0.29 -4.96 116.55 114.72 1wh1 n ASP 64 Ca -0.09 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 53.97 1wh1 n ASP 64 Cb 0.16 -0.05 -0.11 0.00 -0.64 0.00 0.00 41.12 40.48 1wh1 n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wh1 n GLY 65 N 3.40 -0.30 0.21 0.44 0.00 0.64 -4.62 105.19 104.97 1wh1 n GLY 65 Ca 0.00 0.43 0.11 0.00 0.00 0.00 0.00 46.02 46.56 1wh1 n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wh1 h ARG 66 N 6.97 0.00 -4.98 1.61 3.08 -1.89 -3.26 114.38 115.91 1wh1 h ARG 66 Ca -0.01 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.55 1wh1 h ARG 66 Cb 0.74 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.95 1wh1 h ARG 66 CO 0.89 0.00 -1.09 -0.89 -1.07 0.00 0.00 179.97 177.81 1wh1 n ILE 67 N -2.37 0.00 -3.88 2.04 5.41 -1.26 -4.98 119.36 114.32 1wh1 n ILE 67 Ca -0.01 -0.42 -0.08 0.00 1.00 0.00 0.00 62.75 63.24 1wh1 n ILE 67 Cb 0.23 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.14 1wh1 n ILE 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1wh1 n ARG 68 N 1.43 0.33 -2.59 0.38 1.74 -1.26 -4.77 116.66 111.93 1wh1 n ARG 68 Ca 0.05 -1.49 -0.43 0.00 -0.77 0.00 0.00 57.85 55.21 1wh1 n ARG 68 Cb 0.41 1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 33.22 1wh1 n ARG 68 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1wh1 s GLU 69 N -2.46 4.28 0.00 5.56 2.02 -1.26 -3.41 118.70 123.42 1wh1 s GLU 69 Ca 0.16 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.61 1wh1 s GLU 69 Cb -0.00 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.57 1wh1 s GLU 69 CO 0.11 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.20 1wh1 n GLY 70 N 3.38 1.92 3.57 -1.39 0.00 -0.58 -5.01 105.19 107.07 1wh1 n GLY 70 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1wh1 n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wh1 s ASP 71 N -2.00 5.44 -0.44 1.61 1.01 -1.22 -4.84 116.67 116.23 1wh1 s ASP 71 Ca 0.00 -0.02 -0.25 0.00 0.71 0.00 0.00 52.55 52.99 1wh1 s ASP 71 Cb 0.00 -1.94 0.02 0.00 1.01 0.00 0.00 42.92 42.01 1wh1 s ASP 71 CO 0.00 0.10 0.89 -0.60 0.21 0.00 0.00 175.17 175.77 1wh1 s ARG 72 N 0.78 3.55 0.15 8.23 3.52 -1.26 -0.73 118.95 133.19 1wh1 s ARG 72 Ca 0.03 0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.49 1wh1 s ARG 72 Cb -0.14 -3.91 -0.07 0.00 -1.56 0.00 0.00 34.95 29.28 1wh1 s ARG 72 CO 0.02 -1.15 1.10 0.42 -0.81 0.00 0.00 175.30 174.88 1wh1 s ILE 73 N 3.59 3.96 -0.16 4.11 1.09 0.22 -1.82 121.20 132.19 1wh1 s ILE 73 Ca 0.35 1.63 -0.09 0.00 -1.10 0.00 0.00 60.65 61.44 1wh1 s ILE 73 Cb -0.11 -4.04 -0.07 0.00 -1.06 0.00 0.00 42.46 37.19 1wh1 s ILE 73 CO 0.24 0.25 -0.22 -0.38 -0.10 0.00 0.00 174.94 174.73 1wh1 n ILE 74 N 2.68 1.00 -4.01 2.92 2.08 -1.16 -4.36 119.36 118.51 1wh1 n ILE 74 Ca 0.04 -0.17 -0.08 0.00 0.56 0.00 0.00 62.75 63.09 1wh1 n ILE 74 Cb 0.46 -1.77 -0.09 0.00 -0.75 0.00 0.00 39.64 37.49 1wh1 n ILE 74 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1wh1 s GLN 75 N -2.34 0.64 -0.29 0.38 -0.21 -1.25 -3.92 119.66 112.66 1wh1 s GLN 75 Ca -0.23 -1.06 0.02 0.00 0.02 0.00 0.00 55.36 54.11 1wh1 s GLN 75 Cb 0.08 0.23 0.08 0.00 1.00 0.00 0.00 33.01 34.41 1wh1 s GLN 75 CO 0.29 -0.14 0.00 0.42 -2.12 0.00 0.00 175.29 173.74 1wh1 s ILE 76 N -3.56 1.83 0.00 1.08 1.01 -0.29 -0.51 121.20 120.77 1wh1 s ILE 76 Ca 0.03 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 58.92 1wh1 s ILE 76 Cb 0.05 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1wh1 s ILE 76 CO -0.09 -0.38 0.00 -3.20 0.00 0.00 0.00 174.94 171.27 1wh1 n ASN 77 N 4.49 -0.97 0.00 3.58 2.85 0.59 -2.28 115.26 123.52 1wh1 n ASN 77 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1wh1 n ASN 77 Cb 0.43 -0.82 0.00 0.00 1.24 0.00 0.00 39.78 40.63 1wh1 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wh1 n GLY 78 N -1.99 1.51 3.69 8.20 0.00 -1.26 -4.90 105.19 110.44 1wh1 n GLY 78 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wh1 n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh1 s ILE 79 N -2.00 4.13 -0.57 -0.61 1.01 -0.96 -5.06 121.20 117.14 1wh1 s ILE 79 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 1wh1 s ILE 79 Cb 0.00 -2.90 0.09 0.00 0.01 0.00 0.00 42.46 39.65 1wh1 s ILE 79 CO 0.00 0.25 0.69 -1.61 0.00 0.00 0.00 174.94 174.27 1wh1 s GLU 80 N -1.92 3.07 0.64 2.79 0.41 -1.26 -1.13 118.70 121.30 1wh1 s GLU 80 Ca 0.23 -1.16 -0.15 0.00 -0.41 0.00 0.00 54.97 53.48 1wh1 s GLU 80 Cb -0.12 -4.21 -0.01 0.00 -1.78 0.00 0.00 34.13 28.01 1wh1 s GLU 80 CO 0.14 -1.44 1.09 0.14 -0.49 0.00 0.00 175.26 174.70 1wh1 s VAL 81 N 2.72 3.48 0.00 2.63 -7.23 -1.25 -4.96 120.40 115.78 1wh1 s VAL 81 Ca 0.13 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 1wh1 s VAL 81 Cb -0.22 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.51 1wh1 s VAL 81 CO 0.08 -0.44 0.72 0.00 -0.31 0.00 0.00 175.10 175.16 1wh1 n GLN 82 N -2.35 0.00 -3.55 4.82 6.02 -1.26 -5.03 117.38 116.02 1wh1 n GLN 82 Ca 0.10 -0.58 -0.15 0.00 -0.01 0.00 0.00 57.00 56.35 1wh1 n GLN 82 Cb 0.52 -0.33 -0.06 0.00 1.02 0.00 0.00 30.24 31.40 1wh1 n GLN 82 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1wh1 s ASN 83 N -0.52 -0.59 0.05 1.08 0.01 -1.26 -5.06 114.94 108.65 1wh1 s ASN 83 Ca 0.00 0.74 -0.34 0.00 -0.71 0.00 0.00 52.86 52.55 1wh1 s ASN 83 Cb 0.00 0.61 -0.19 0.00 0.41 0.00 0.00 41.25 42.08 1wh1 s ASN 83 CO 0.00 -0.48 1.46 -0.09 -1.51 0.00 0.00 177.10 176.48 1wh1 h ARG 84 N 3.18 -1.10 -0.76 -0.60 2.43 -1.98 -1.50 114.38 114.04 1wh1 h ARG 84 Ca -0.25 0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1wh1 h ARG 84 Cb 1.15 0.25 -0.13 0.00 -0.42 0.00 0.00 29.97 30.82 1wh1 h ARG 84 CO 0.32 -0.73 -0.38 0.93 -1.51 0.00 0.00 179.97 178.60 1wh1 h GLU 85 N -1.23 -0.10 -0.62 0.20 5.08 -1.99 0.43 114.58 116.36 1wh1 h GLU 85 Ca -0.12 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1wh1 h GLU 85 Cb 0.88 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 1wh1 h GLU 85 CO 0.19 -0.07 0.19 1.49 -1.00 0.00 0.00 179.01 179.81 1wh1 h GLU 86 N -0.11 0.33 -0.93 2.33 4.57 -1.95 2.07 114.58 120.89 1wh1 h GLU 86 Ca 0.26 -0.02 0.25 0.00 -1.18 0.00 0.00 59.36 58.67 1wh1 h GLU 86 Cb 0.56 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.02 1wh1 h GLU 86 CO -0.81 0.22 0.64 0.00 -1.18 0.00 0.00 179.01 177.89 1wh1 h ALA 87 N 1.46 2.54 0.02 2.92 0.00 0.92 0.57 119.26 127.69 1wh1 h ALA 87 Ca 0.32 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.93 1wh1 h ALA 87 Cb 0.44 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1wh1 h ALA 87 CO -0.36 -0.84 -1.64 0.28 0.00 0.00 0.00 179.25 176.70 1wh1 n VAL 88 N -4.40 1.58 -0.20 0.00 0.31 0.12 -3.69 118.33 112.04 1wh1 n VAL 88 Ca 0.20 -0.22 -0.02 0.00 -0.01 0.00 0.00 64.34 64.29 1wh1 n VAL 88 Cb 0.87 -1.94 0.04 0.00 -0.91 0.00 0.00 33.84 31.91 1wh1 n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wh1 h ALA 89 N -0.45 0.27 -0.63 3.52 0.00 0.41 0.47 119.26 122.86 1wh1 h ALA 89 Ca -0.43 0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1wh1 h ALA 89 Cb 1.51 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 1wh1 h ALA 89 CO -0.19 -0.50 0.28 -0.07 0.00 0.00 0.00 179.25 178.77 1wh1 h LEU 90 N -0.06 0.33 -0.74 0.00 3.38 -0.10 0.79 115.31 118.92 1wh1 h LEU 90 Ca 0.28 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1wh1 h LEU 90 Cb 0.49 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1wh1 h LEU 90 CO -0.64 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.27 1wh1 n LEU 91 N -4.93 0.51 -2.38 1.67 7.99 0.13 -2.14 117.00 117.85 1wh1 n LEU 91 Ca 0.09 0.66 -0.29 0.00 -0.01 0.00 0.00 56.01 56.45 1wh1 n LEU 91 Cb 0.25 -0.62 0.03 0.00 -0.11 0.00 0.00 43.42 42.96 1wh1 n LEU 91 CO 0.24 -0.61 0.62 0.35 -1.51 0.00 0.00 177.39 176.48 1wh1 n THR 92 N -2.09 2.83 -3.62 -5.08 -2.24 0.27 -4.87 114.28 99.48 1wh1 n THR 92 Ca 0.01 -4.27 -0.37 0.00 -2.27 0.00 0.00 64.05 57.16 1wh1 n THR 92 Cb 0.16 -1.20 -0.09 0.00 -2.10 0.00 0.00 70.33 67.10 1wh1 n THR 92 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wh1 s SER 93 N -2.87 6.19 -0.21 3.42 0.01 -0.91 -4.92 113.70 114.41 1wh1 s SER 93 Ca 0.52 0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.96 1wh1 s SER 93 Cb 0.43 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 1wh1 s SER 93 CO -0.12 0.05 2.84 -0.62 0.41 0.00 0.00 173.24 175.80 1wh1 n GLU 94 N 4.20 1.97 0.00 12.44 1.02 -1.26 -3.58 120.64 135.44 1wh1 n GLU 94 Ca -0.14 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 1wh1 n GLU 94 Cb 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1wh1 n GLU 94 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wh1 n GLU 95 N 1.43 0.00 -2.41 3.49 -0.58 -1.26 -5.07 120.64 116.24 1wh1 n GLU 95 Ca 0.37 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.68 1wh1 n GLU 95 Cb 0.68 -0.10 -0.02 0.00 -0.57 0.00 0.00 31.44 31.43 1wh1 n GLU 95 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1wh1 s ASN 96 N -2.53 6.74 -0.17 1.62 0.01 -1.23 -4.89 114.94 114.49 1wh1 s ASN 96 Ca 0.00 1.37 -0.14 0.00 -0.71 0.00 0.00 52.86 53.38 1wh1 s ASN 96 Cb 0.00 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 39.03 1wh1 s ASN 96 CO 0.00 -1.00 -0.03 1.17 -1.51 0.00 0.00 177.10 175.73 1wh1 n LYS 97 N 7.13 0.50 -2.70 -0.60 4.81 -1.26 -4.74 118.16 121.30 1wh1 n LYS 97 Ca 0.15 0.54 -0.42 0.00 -0.87 0.00 0.00 58.31 57.71 1wh1 n LYS 97 Cb 0.46 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.76 1wh1 n LYS 97 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wh1 s ASN 98 N -6.19 6.25 -0.64 3.14 2.20 -1.26 -3.34 114.94 115.11 1wh1 s ASN 98 Ca -0.21 -0.48 -0.22 0.00 -0.94 0.00 0.00 52.86 51.02 1wh1 s ASN 98 Cb 0.04 -2.50 0.07 0.00 -2.00 0.00 0.00 41.25 36.87 1wh1 s ASN 98 CO 0.37 -1.55 0.90 -0.36 -2.94 0.00 0.00 177.10 173.52 1wh1 s PHE 99 N 4.79 2.75 -0.88 1.54 0.08 -1.18 -4.80 117.98 120.29 1wh1 s PHE 99 Ca 0.32 -0.60 -0.13 0.00 0.12 0.00 0.00 56.93 56.64 1wh1 s PHE 99 Cb -0.11 -4.21 0.23 0.00 -0.57 0.00 0.00 43.02 38.36 1wh1 s PHE 99 CO 0.16 -1.55 0.82 -1.12 -0.10 0.00 0.00 175.22 173.44 1wh1 s SER 100 N 3.60 6.84 0.42 1.36 0.01 -1.26 -1.24 113.70 123.42 1wh1 s SER 100 Ca 0.20 -2.86 -0.09 0.00 1.31 0.00 0.00 55.95 54.51 1wh1 s SER 100 Cb -0.18 -2.20 -0.06 0.00 0.21 0.00 0.00 66.02 63.79 1wh1 s SER 100 CO 0.10 -0.52 0.77 -0.76 0.41 0.00 0.00 173.24 173.25 1wh1 s LEU 101 N -0.10 3.79 0.13 2.44 2.01 -0.68 0.22 118.68 126.48 1wh1 s LEU 101 Ca 0.20 1.10 0.08 0.00 0.01 0.00 0.00 54.13 55.51 1wh1 s LEU 101 Cb -0.10 -3.99 -0.04 0.00 0.01 0.00 0.00 46.19 42.07 1wh1 s LEU 101 CO -0.09 -0.44 -0.09 -0.76 1.01 0.00 0.00 176.35 175.98 1wh1 s LEU 102 N -4.02 3.05 0.00 1.79 1.43 0.34 -1.95 118.68 119.31 1wh1 s LEU 102 Ca 0.50 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1wh1 s LEU 102 Cb -0.10 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1wh1 s LEU 102 CO 0.34 0.15 0.22 0.27 0.23 0.00 0.00 176.35 177.56 1wh1 s ILE 103 N -1.36 0.08 -0.38 -0.59 -4.36 -1.23 -2.97 121.20 110.39 1wh1 s ILE 103 Ca 0.23 -0.63 -0.18 0.00 -0.26 0.00 0.00 60.65 59.81 1wh1 s ILE 103 Cb -0.10 -0.57 0.01 0.00 1.25 0.00 0.00 42.46 43.04 1wh1 s ILE 103 CO 0.14 -0.34 0.51 0.00 0.24 0.00 0.00 174.94 175.49 1wh1 s ALA 104 N -1.52 3.44 -0.07 2.27 0.00 -0.76 -1.69 121.76 123.44 1wh1 s ALA 104 Ca -0.13 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.69 1wh1 s ALA 104 Cb -0.06 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1wh1 s ALA 104 CO 0.02 -1.41 -0.23 0.50 0.00 0.00 0.00 175.76 174.63 1wh1 s ARG 105 N 2.38 2.64 0.49 0.00 3.52 0.56 -4.54 118.95 124.00 1wh1 s ARG 105 Ca 0.17 -0.87 -0.20 0.00 -0.13 0.00 0.00 55.73 54.70 1wh1 s ARG 105 Cb -0.16 -2.23 -0.08 0.00 -1.56 0.00 0.00 34.95 30.92 1wh1 s ARG 105 CO 0.14 0.38 1.04 -1.25 -0.81 0.00 0.00 175.30 174.80 1wh1 s PRO 106 N -0.14 3.80 0.07 5.12 0.04 -1.26 -1.63 135.00 141.00 1wh1 s PRO 106 Ca -0.04 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.40 1wh1 s PRO 106 Cb -0.14 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1wh1 s PRO 106 CO 0.04 -0.43 0.02 -2.00 0.04 0.00 0.00 177.00 174.67 1wh1 s GLU 107 N -3.24 2.67 0.00 4.56 2.56 -1.26 -4.76 118.70 119.24 1wh1 s GLU 107 Ca 0.67 -0.76 0.00 0.00 0.00 0.00 0.00 54.97 54.88 1wh1 s GLU 107 Cb -0.16 -2.61 0.00 0.00 2.00 0.00 0.00 34.13 33.36 1wh1 s GLU 107 CO 0.20 0.56 0.00 1.28 -0.56 0.00 0.00 175.26 176.74 1wh1 n LEU 108 N 0.70 0.00 -1.43 2.70 4.77 -1.26 -4.87 117.00 117.61 1wh1 n LEU 108 Ca -0.11 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.92 1wh1 n LEU 108 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1wh1 n LEU 108 CO 0.39 0.00 -0.50 1.67 -1.33 0.00 0.00 177.39 177.62 1wh1 n GLN 109 N 0.00 -3.63 -0.72 3.23 7.27 -1.26 -4.85 117.38 117.41 1wh1 n GLN 109 Ca 0.00 2.86 -0.32 0.00 0.07 0.00 0.00 57.00 59.61 1wh1 n GLN 109 Cb 0.00 -3.72 0.15 0.00 2.41 0.00 0.00 30.24 29.08 1wh1 n GLN 109 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1wh1 n LEU 110 N -3.07 -0.72 -4.34 1.69 4.77 -1.26 -4.91 117.00 109.16 1wh1 n LEU 110 Ca -0.03 0.15 -0.45 0.00 -0.03 0.00 0.00 56.01 55.64 1wh1 n LEU 110 Cb 0.51 -1.15 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 1wh1 n LEU 110 CO 0.01 -3.31 0.21 1.51 -1.33 0.00 0.00 177.39 174.49 1wh1 s ASP 111 N -2.04 6.19 -0.46 -1.43 1.47 -1.26 -4.91 116.67 114.23 1wh1 s ASP 111 Ca 0.58 -1.63 0.06 0.00 1.18 0.00 0.00 52.55 52.75 1wh1 s ASP 111 Cb -0.18 -2.24 0.22 0.00 -0.34 0.00 0.00 42.92 40.38 1wh1 s ASP 111 CO 0.66 -0.92 0.69 1.21 0.68 0.00 0.00 175.17 177.49 1wh1 n GLU 112 N 5.58 0.62 0.00 2.11 0.00 -1.26 -5.07 120.64 122.62 1wh1 n GLU 112 Ca -0.12 -2.35 0.00 0.00 0.00 0.00 0.00 57.16 54.68 1wh1 n GLU 112 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.41 1wh1 n GLU 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wh1 n GLY 113 N 2.09 0.86 3.09 8.31 0.00 -1.26 -5.04 105.19 113.24 1wh1 n GLY 113 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1wh1 n GLY 113 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wh1 n TRP 114 N 0.00 -2.72 -3.55 1.61 7.02 -1.26 -5.02 117.44 113.52 1wh1 n TRP 114 Ca 0.00 1.00 -0.24 0.00 -1.02 0.00 0.00 57.50 57.24 1wh1 n TRP 114 Cb 0.00 -4.07 -0.15 0.00 -2.42 0.00 0.00 31.31 24.67 1wh1 n TRP 114 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1wh1 s MET 115 N -3.52 0.14 -0.66 -0.99 1.75 -1.26 -5.08 119.30 109.68 1wh1 s MET 115 Ca 0.17 -0.14 -0.26 0.00 -1.25 0.00 0.00 55.69 54.21 1wh1 s MET 115 Cb -0.02 -1.43 -0.10 0.00 2.84 0.00 0.00 34.83 36.12 1wh1 s MET 115 CO 0.73 -0.79 2.36 -0.51 -0.65 0.00 0.00 175.02 176.16 1wh1 s ASP 116 N 2.19 4.23 -0.30 1.11 1.01 -1.26 -4.77 116.67 118.88 1wh1 s ASP 116 Ca 0.05 0.46 -0.25 0.00 0.71 0.00 0.00 52.55 53.53 1wh1 s ASP 116 Cb -0.16 -2.53 0.20 0.00 1.01 0.00 0.00 42.92 41.44 1wh1 s ASP 116 CO -0.19 -3.35 1.46 -0.62 0.21 0.00 0.00 175.17 172.69 1wh1 s ASP 117 N 11.18 -0.03 -0.65 0.27 2.15 -1.26 -5.08 116.67 123.25 1wh1 s ASP 117 Ca 0.92 0.06 -0.26 0.00 0.43 0.00 0.00 52.55 53.70 1wh1 s ASP 117 Cb -0.14 0.09 -0.11 0.00 -0.30 0.00 0.00 42.92 42.46 1wh1 s ASP 117 CO 0.16 -0.01 2.42 -0.67 -0.17 0.00 0.00 175.17 176.90 1wh1 n ASP 118 N 1.60 1.99 -3.65 -0.34 -0.08 -1.26 -4.78 116.55 110.03 1wh1 n ASP 118 Ca -0.10 -0.99 -0.02 0.00 -1.51 0.00 0.00 54.79 52.17 1wh1 n ASP 118 Cb 0.57 -1.60 -0.06 0.00 2.34 0.00 0.00 41.12 42.36 1wh1 n ASP 118 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1wh1 s SER 119 N 11.40 -0.30 0.00 1.67 0.15 -1.26 -5.11 113.70 120.25 1wh1 s SER 119 Ca 0.97 0.49 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1wh1 s SER 119 Cb -0.18 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1wh1 s SER 119 CO 0.18 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1wh1 n GLY 120 N 3.07 -1.30 3.75 9.45 0.00 -1.26 -5.05 105.19 113.86 1wh1 n GLY 120 Ca -0.16 0.59 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1wh1 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh1 s PRO 121 N 0.00 4.64 0.22 1.61 0.04 -1.26 -5.05 135.00 135.21 1wh1 s PRO 121 Ca 0.00 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.87 1wh1 s PRO 121 Cb 0.00 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1wh1 s PRO 121 CO 0.00 0.20 -0.11 -1.54 0.04 0.00 0.00 177.00 175.59 1wh1 s SER 122 N -0.70 2.51 0.67 6.66 1.04 -1.26 -5.06 113.70 117.57 1wh1 s SER 122 Ca 0.46 -1.08 -0.07 0.00 0.48 0.00 0.00 55.95 55.74 1wh1 s SER 122 Cb -0.31 -0.12 0.04 0.00 0.10 0.00 0.00 66.02 65.73 1wh1 s SER 122 CO 0.39 -0.26 0.98 -0.44 0.98 0.00 0.00 173.24 174.89 1wh1 s SER 123 N -3.34 5.09 0.00 7.02 0.01 -1.26 -5.19 113.70 116.03 1wh1 s SER 123 Ca 0.24 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1wh1 s SER 123 Cb 0.01 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.92 1wh1 s SER 123 CO 0.08 -1.42 0.36 0.61 0.41 0.00 0.00 173.24 173.28