#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wt5 s ILE 2 N 0.00 4.11 -0.38 0.53 1.09 -1.26 -5.01 121.20 120.28 1wt5 s ILE 2 Ca 0.00 1.60 -0.16 0.00 -1.10 0.00 0.00 60.65 60.99 1wt5 s ILE 2 Cb 0.00 -3.82 0.00 0.00 -1.06 0.00 0.00 42.46 37.59 1wt5 s ILE 2 CO 0.00 -0.01 0.38 -0.69 -0.10 0.00 0.00 174.94 174.52 1wt5 s VAL 3 N -1.76 5.15 -0.18 2.92 1.01 -1.26 -4.84 120.40 121.44 1wt5 s VAL 3 Ca 0.55 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1wt5 s VAL 3 Cb -0.17 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1wt5 s VAL 3 CO 0.22 -0.23 0.36 -0.04 0.00 0.00 0.00 175.10 175.41 1wt5 s MET 4 N 2.02 4.21 -0.19 2.72 -1.94 -1.26 -1.36 119.30 123.51 1wt5 s MET 4 Ca 0.11 0.16 0.01 0.00 -1.71 0.00 0.00 55.69 54.26 1wt5 s MET 4 Cb -0.17 -3.49 0.02 0.00 2.01 0.00 0.00 34.83 33.20 1wt5 s MET 4 CO 0.12 0.07 -0.19 0.99 -0.01 0.00 0.00 175.02 176.00 1wt5 s THR 5 N 0.98 2.09 0.04 2.05 2.01 -0.54 -4.26 115.64 118.01 1wt5 s THR 5 Ca 0.18 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1wt5 s THR 5 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1wt5 s THR 5 CO 0.07 0.50 0.21 -1.10 -0.69 0.00 0.00 174.62 173.61 1wt5 s GLN 6 N 1.28 3.46 -0.20 4.92 -0.21 -1.26 -1.22 119.66 126.42 1wt5 s GLN 6 Ca 0.04 -0.37 -0.14 0.00 0.02 0.00 0.00 55.36 54.91 1wt5 s GLN 6 Cb -0.13 -3.05 0.06 0.00 1.00 0.00 0.00 33.01 30.89 1wt5 s GLN 6 CO -0.12 0.62 0.51 -1.54 -2.12 0.00 0.00 175.29 172.64 1wt5 s SER 7 N -2.30 -0.62 0.94 5.90 1.04 -0.72 -4.56 113.70 113.38 1wt5 s SER 7 Ca 0.33 1.09 -0.15 0.00 0.48 0.00 0.00 55.95 57.70 1wt5 s SER 7 Cb -0.13 1.02 0.17 0.00 0.10 0.00 0.00 66.02 67.19 1wt5 s SER 7 CO 0.24 -0.20 1.27 -2.16 0.98 0.00 0.00 173.24 173.38 1wt5 s PRO 8 N 1.00 0.85 0.14 4.02 0.04 -1.26 -0.62 135.00 139.17 1wt5 s PRO 8 Ca -0.06 -0.24 0.22 0.00 0.04 0.00 0.00 61.00 60.96 1wt5 s PRO 8 Cb -0.06 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1wt5 s PRO 8 CO -0.09 -2.30 0.89 1.28 0.04 0.00 0.00 177.00 176.82 1wt5 n LEU 9 N -3.72 0.64 -3.96 -3.56 7.99 -1.26 -4.58 117.00 108.55 1wt5 n LEU 9 Ca 0.13 0.25 -0.21 0.00 -0.01 0.00 0.00 56.01 56.17 1wt5 n LEU 9 Cb 0.60 -0.03 -0.16 0.00 -0.11 0.00 0.00 43.42 43.71 1wt5 n LEU 9 CO 0.49 -0.12 -0.43 -0.55 -1.51 0.00 0.00 177.39 175.27 1wt5 s SER 10 N -5.19 1.21 -0.44 -1.43 0.15 -1.26 -1.42 113.70 105.31 1wt5 s SER 10 Ca -0.03 -0.19 0.05 0.00 0.70 0.00 0.00 55.95 56.49 1wt5 s SER 10 Cb 0.10 -0.50 0.19 0.00 -1.71 0.00 0.00 66.02 64.10 1wt5 s SER 10 CO 0.82 0.00 0.41 -0.11 1.20 0.00 0.00 173.24 175.56 1wt5 n LEU 11 N 3.75 0.15 -4.66 3.45 0.00 0.36 -4.91 117.00 115.14 1wt5 n LEU 11 Ca -0.23 -4.56 -0.42 0.00 0.00 0.00 0.00 56.01 50.80 1wt5 n LEU 11 Cb 0.52 0.40 -0.03 0.00 0.00 0.00 0.00 43.42 44.31 1wt5 n LEU 11 CO 0.24 1.90 1.37 -2.84 0.00 0.00 0.00 177.39 178.07 1wt5 s PRO 12 N -0.46 4.18 -0.05 1.96 0.02 -1.26 -3.33 135.00 136.06 1wt5 s PRO 12 Ca 0.33 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.57 1wt5 s PRO 12 Cb 0.06 -3.95 -0.03 0.00 0.02 0.00 0.00 34.50 30.60 1wt5 s PRO 12 CO -0.17 -0.83 -0.06 0.14 -0.33 0.00 0.00 177.00 175.74 1wt5 s VAL 13 N 3.90 3.73 -0.30 3.83 -7.23 0.17 -4.93 120.40 119.57 1wt5 s VAL 13 Ca 0.74 -0.55 -0.25 0.00 -1.81 0.00 0.00 61.98 60.11 1wt5 s VAL 13 Cb -0.34 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1wt5 s VAL 13 CO 0.30 0.54 0.85 0.42 -0.31 0.00 0.00 175.10 176.91 1wt5 s THR 14 N -0.87 4.74 -0.97 5.32 -4.23 -1.26 -3.98 115.64 114.39 1wt5 s THR 14 Ca 0.14 1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 61.69 1wt5 s THR 14 Cb -0.11 -4.20 -0.21 0.00 1.34 0.00 0.00 72.50 69.32 1wt5 s THR 14 CO 0.03 -0.27 2.67 -2.65 -0.54 0.00 0.00 174.62 173.85 1wt5 n PRO 15 N 6.31 0.07 0.00 3.99 -0.02 -1.26 -1.05 135.00 143.04 1wt5 n PRO 15 Ca 0.06 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1wt5 n PRO 15 Cb 0.48 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1wt5 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wt5 n GLY 16 N 6.44 0.93 3.85 -1.23 0.00 -0.82 -4.98 105.19 109.38 1wt5 n GLY 16 Ca 0.64 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.33 1wt5 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wt5 s GLU 17 N 0.00 3.96 0.83 1.61 2.56 -0.22 -4.14 118.70 123.30 1wt5 s GLU 17 Ca 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 54.97 55.42 1wt5 s GLU 17 Cb 0.00 -2.54 0.09 0.00 2.00 0.00 0.00 34.13 33.68 1wt5 s GLU 17 CO 0.00 0.23 1.10 -1.25 -0.56 0.00 0.00 175.26 174.78 1wt5 s PRO 18 N -2.83 1.80 0.23 4.30 0.04 -1.26 -2.84 135.00 134.44 1wt5 s PRO 18 Ca 0.51 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.70 1wt5 s PRO 18 Cb -0.11 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1wt5 s PRO 18 CO 0.19 -1.95 0.05 0.00 0.04 0.00 0.00 177.00 175.33 1wt5 s ALA 19 N -2.87 1.64 -0.21 8.56 0.00 -1.12 -4.86 121.76 122.89 1wt5 s ALA 19 Ca 0.63 -1.78 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 1wt5 s ALA 19 Cb -0.18 0.82 0.06 0.00 0.00 0.00 0.00 23.12 23.82 1wt5 s ALA 19 CO 0.57 -0.39 0.61 0.45 0.00 0.00 0.00 175.76 177.00 1wt5 s SER 20 N -3.27 -0.63 -0.06 0.00 0.15 -1.26 -2.51 113.70 106.11 1wt5 s SER 20 Ca 0.32 1.17 0.01 0.00 0.70 0.00 0.00 55.95 58.16 1wt5 s SER 20 Cb 0.07 1.18 0.02 0.00 -1.71 0.00 0.00 66.02 65.58 1wt5 s SER 20 CO 0.10 -0.25 -0.07 -0.63 1.20 0.00 0.00 173.24 173.60 1wt5 s ILE 21 N 0.17 0.75 0.25 6.45 1.01 -0.81 -4.68 121.20 124.34 1wt5 s ILE 21 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1wt5 s ILE 21 Cb -0.04 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1wt5 s ILE 21 CO 0.02 0.28 0.44 -0.44 0.00 0.00 0.00 174.94 175.24 1wt5 s SER 22 N 1.04 6.36 -0.21 3.58 0.01 0.21 -0.86 113.70 123.83 1wt5 s SER 22 Ca -0.09 0.39 -0.08 0.00 1.31 0.00 0.00 55.95 57.48 1wt5 s SER 22 Cb -0.14 -2.00 0.09 0.00 0.21 0.00 0.00 66.02 64.17 1wt5 s SER 22 CO -0.00 -0.12 0.45 0.00 0.41 0.00 0.00 173.24 173.97 1wt5 s ARG 24 N 2.49 2.70 0.33 0.00 1.70 -0.36 -0.23 118.95 125.57 1wt5 s ARG 24 Ca -0.03 -0.76 -0.17 0.00 -0.47 0.00 0.00 55.73 54.31 1wt5 s ARG 24 Cb -0.11 -2.07 -0.09 0.00 -0.57 0.00 0.00 34.95 32.10 1wt5 s ARG 24 CO -0.14 0.13 0.77 -1.54 -1.08 0.00 0.00 175.30 173.45 1wt5 s SER 25 N 0.45 6.84 0.00 -2.89 1.04 -0.55 -1.46 113.70 117.13 1wt5 s SER 25 Ca -0.17 1.37 0.22 0.00 0.48 0.00 0.00 55.95 57.84 1wt5 s SER 25 Cb -0.17 -2.41 1.28 0.00 0.10 0.00 0.00 66.02 64.82 1wt5 s SER 25 CO 0.07 -0.20 1.67 -1.54 0.98 0.00 0.00 173.24 174.22 1wt5 n SER 26 N -0.28 0.00 -3.57 7.02 3.41 -0.46 -4.79 113.62 114.96 1wt5 n SER 26 Ca 0.03 -0.70 -0.06 0.00 -0.26 0.00 0.00 58.87 57.88 1wt5 n SER 26 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1wt5 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1wt5 s GLN 27 N -2.00 0.49 0.18 4.33 2.00 -1.26 -4.94 119.66 118.46 1wt5 s GLN 27 Ca 0.32 -0.13 -0.32 0.00 -2.00 0.00 0.00 55.36 53.23 1wt5 s GLN 27 Cb 0.15 0.23 -0.16 0.00 0.80 0.00 0.00 33.01 34.02 1wt5 s GLN 27 CO 0.25 -0.20 1.06 -1.71 -0.50 0.00 0.00 175.29 174.18 1wt5 n ASN 28 N 0.00 0.92 -2.10 6.67 2.85 -1.26 -4.84 115.26 117.51 1wt5 n ASN 28 Ca -0.04 1.15 -0.15 0.00 -0.11 0.00 0.00 54.58 55.43 1wt5 n ASN 28 Cb 0.59 -1.17 0.04 0.00 1.24 0.00 0.00 39.78 40.48 1wt5 n ASN 28 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1wt5 n ILE 29 N 1.12 2.11 -3.72 -1.44 -5.35 -1.18 -5.01 119.36 105.90 1wt5 n ILE 29 Ca 0.15 -3.72 -0.35 0.00 -0.27 0.00 0.00 62.75 58.56 1wt5 n ILE 29 Cb 0.24 -0.39 -0.08 0.00 -1.74 0.00 0.00 39.64 37.67 1wt5 n ILE 29 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1wt5 s VAL 30 N -4.16 5.40 0.81 7.28 -7.23 -1.26 -3.91 120.40 117.34 1wt5 s VAL 30 Ca 0.43 0.20 -0.10 0.00 -1.81 0.00 0.00 61.98 60.70 1wt5 s VAL 30 Cb 0.38 -3.48 0.08 0.00 0.56 0.00 0.00 36.38 33.93 1wt5 s VAL 30 CO 0.01 0.43 1.10 -2.28 -0.31 0.00 0.00 175.10 174.05 1wt5 s HIS 31 N 0.40 2.37 0.53 2.82 2.46 0.11 -4.86 115.29 119.12 1wt5 s HIS 31 Ca 0.08 1.58 0.23 0.00 0.47 0.00 0.00 55.06 57.42 1wt5 s HIS 31 Cb -0.11 -3.11 1.38 0.00 -0.13 0.00 0.00 32.58 30.61 1wt5 s HIS 31 CO -0.01 -2.05 2.04 -0.97 -2.47 0.00 0.00 174.74 171.28 1wt5 h ASN 32 N -1.31 0.00 0.00 9.88 -0.00 -1.94 0.40 115.58 122.61 1wt5 h ASN 32 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.86 1wt5 h ASN 32 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 1wt5 h ASN 32 CO 0.50 0.00 0.00 -0.46 -0.00 0.00 0.00 177.43 177.47 1wt5 n ASN 33 N -4.38 0.00 0.00 1.15 0.23 -1.26 -4.86 115.26 106.15 1wt5 n ASN 33 Ca 0.06 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 52.98 1wt5 n ASN 33 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1wt5 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wt5 n GLY 34 N 0.52 1.77 3.74 4.83 0.00 0.14 -5.03 105.19 111.15 1wt5 n GLY 34 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1wt5 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wt5 s ILE 35 N -2.61 5.01 -0.56 -0.61 1.01 -1.25 -4.70 121.20 117.48 1wt5 s ILE 35 Ca 0.00 1.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.73 1wt5 s ILE 35 Cb 0.00 -3.95 0.11 0.00 0.01 0.00 0.00 42.46 38.64 1wt5 s ILE 35 CO 0.00 0.34 0.61 -0.89 0.00 0.00 0.00 174.94 175.00 1wt5 s THR 36 N 0.32 5.00 -1.16 2.92 2.01 -1.26 0.04 115.64 123.50 1wt5 s THR 36 Ca 0.32 -1.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.02 1wt5 s THR 36 Cb -0.17 -4.41 -0.07 0.00 0.01 0.00 0.00 72.50 67.86 1wt5 s THR 36 CO 0.16 -0.99 2.35 -1.22 -0.69 0.00 0.00 174.62 174.23 1wt5 n TYR 37 N 5.83 1.96 -3.60 4.92 4.02 -1.25 -3.84 117.16 125.20 1wt5 n TYR 37 Ca -0.11 -2.38 -0.37 0.00 -0.01 0.00 0.00 57.90 55.03 1wt5 n TYR 37 Cb 0.41 -2.01 -0.09 0.00 -0.02 0.00 0.00 39.34 37.63 1wt5 n TYR 37 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1wt5 s LEU 38 N 0.47 4.11 0.13 7.72 2.96 -1.26 -1.47 118.68 131.33 1wt5 s LEU 38 Ca 0.52 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.64 1wt5 s LEU 38 Cb 0.13 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1wt5 s LEU 38 CO -0.03 0.02 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.29 1wt5 s GLU 39 N 1.22 1.01 -0.06 1.98 2.02 0.85 -1.43 118.70 124.29 1wt5 s GLU 39 Ca 0.09 -1.30 0.06 0.00 0.02 0.00 0.00 54.97 53.84 1wt5 s GLU 39 Cb -0.14 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.32 1wt5 s GLU 39 CO 0.06 0.13 -0.24 -1.58 0.02 0.00 0.00 175.26 173.65 1wt5 s TRP 40 N -2.59 2.47 0.09 1.61 0.52 -0.27 0.67 118.94 121.43 1wt5 s TRP 40 Ca 0.11 -0.67 0.09 0.00 0.02 0.00 0.00 56.10 55.65 1wt5 s TRP 40 Cb -0.02 -1.61 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1wt5 s TRP 40 CO 0.02 -0.18 -0.22 0.71 0.02 0.00 0.00 176.95 177.29 1wt5 s TYR 41 N -0.20 1.93 -0.08 -1.98 2.02 0.50 -1.23 117.35 118.31 1wt5 s TYR 41 Ca -0.02 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1wt5 s TYR 41 Cb -0.13 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 1wt5 s TYR 41 CO 0.03 0.20 -0.20 -1.17 -1.57 0.00 0.00 175.55 172.84 1wt5 s LEU 42 N -1.73 1.95 -0.54 -1.29 2.96 -0.21 -0.72 118.68 119.10 1wt5 s LEU 42 Ca 0.08 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1wt5 s LEU 42 Cb -0.10 -1.21 0.14 0.00 0.50 0.00 0.00 46.19 45.52 1wt5 s LEU 42 CO 0.04 0.13 0.33 -1.58 -1.32 0.00 0.00 176.35 173.95 1wt5 s GLN 43 N 0.36 2.24 0.71 1.98 0.74 -0.11 -0.84 119.66 124.75 1wt5 s GLN 43 Ca -0.15 -2.40 -0.15 0.00 0.05 0.00 0.00 55.36 52.70 1wt5 s GLN 43 Cb -0.17 -3.56 0.03 0.00 1.10 0.00 0.00 33.01 30.41 1wt5 s GLN 43 CO 0.07 -1.12 1.21 0.15 -0.55 0.00 0.00 175.29 175.04 1wt5 s LYS 44 N 0.13 2.23 -0.48 1.67 1.02 -1.26 -2.05 119.74 121.00 1wt5 s LYS 44 Ca 0.15 1.78 -0.45 0.00 0.02 0.00 0.00 55.97 57.48 1wt5 s LYS 44 Cb -0.22 -1.84 -0.19 0.00 -0.52 0.00 0.00 37.83 35.06 1wt5 s LYS 44 CO -0.03 -1.77 1.91 -2.30 -0.92 0.00 0.00 175.35 172.24 1wt5 n PRO 45 N -2.58 0.10 -0.88 -1.68 -0.02 -1.26 -1.08 135.00 127.60 1wt5 n PRO 45 Ca 0.14 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1wt5 n PRO 45 Cb 0.50 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1wt5 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wt5 n GLY 46 N 5.92 0.42 3.85 -1.23 0.00 -1.26 -5.02 105.19 107.87 1wt5 n GLY 46 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 1wt5 n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wt5 s GLN 47 N -0.67 2.84 0.72 1.61 -0.21 -0.24 -5.10 119.66 118.61 1wt5 s GLN 47 Ca 0.00 -1.17 -0.14 0.00 0.02 0.00 0.00 55.36 54.07 1wt5 s GLN 47 Cb 0.00 -2.53 0.03 0.00 1.00 0.00 0.00 33.01 31.51 1wt5 s GLN 47 CO 0.00 0.23 1.14 -1.12 -2.12 0.00 0.00 175.29 173.42 1wt5 s SER 48 N -3.94 4.57 0.67 5.90 0.01 -1.26 -4.56 113.70 115.09 1wt5 s SER 48 Ca 0.38 2.10 -0.16 0.00 1.31 0.00 0.00 55.95 59.57 1wt5 s SER 48 Cb -0.07 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.61 1wt5 s SER 48 CO 0.26 -2.00 1.21 -2.84 0.41 0.00 0.00 173.24 170.28 1wt5 s PRO 49 N -4.19 2.49 0.02 12.44 0.02 -1.26 -4.61 135.00 139.91 1wt5 s PRO 49 Ca 0.68 1.78 0.01 0.00 0.02 0.00 0.00 61.00 63.49 1wt5 s PRO 49 Cb -0.23 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 1wt5 s PRO 49 CO 0.46 -1.57 -0.05 1.14 -0.33 0.00 0.00 177.00 176.64 1wt5 s GLN 50 N -3.70 0.40 -0.09 5.54 -2.07 -0.02 -4.95 119.66 114.77 1wt5 s GLN 50 Ca 0.75 -0.56 -0.30 0.00 -1.82 0.00 0.00 55.36 53.44 1wt5 s GLN 50 Cb -0.30 -0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.42 1wt5 s GLN 50 CO 0.41 0.03 1.40 -1.17 -1.32 0.00 0.00 175.29 174.63 1wt5 s LEU 51 N -1.18 4.26 -0.22 2.60 2.96 -1.26 -1.04 118.68 124.80 1wt5 s LEU 51 Ca -0.09 1.94 -0.14 0.00 -0.22 0.00 0.00 54.13 55.62 1wt5 s LEU 51 Cb -0.08 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 1wt5 s LEU 51 CO -0.00 -0.78 -0.33 0.18 -1.32 0.00 0.00 176.35 174.10 1wt5 n LEU 52 N 6.36 1.82 -4.02 -0.68 4.77 -0.37 -4.69 117.00 120.19 1wt5 n LEU 52 Ca 0.14 0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 56.27 1wt5 n LEU 52 Cb 0.44 -0.73 -0.14 0.00 -2.33 0.00 0.00 43.42 40.66 1wt5 n LEU 52 CO 0.58 0.22 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.81 1wt5 s ILE 53 N -2.60 0.61 0.20 -0.08 -1.09 -1.08 -1.38 121.20 115.79 1wt5 s ILE 53 Ca -0.32 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 57.59 1wt5 s ILE 53 Cb 0.10 -0.55 -0.05 0.00 -1.58 0.00 0.00 42.46 40.38 1wt5 s ILE 53 CO 0.43 0.04 0.06 -0.72 -1.23 0.00 0.00 174.94 173.52 1wt5 s TYR 54 N -0.46 1.26 -1.53 3.97 -0.85 0.47 -1.12 117.35 119.09 1wt5 s TYR 54 Ca 0.00 -1.16 -0.10 0.00 -0.52 0.00 0.00 57.07 55.29 1wt5 s TYR 54 Cb -0.05 -0.71 0.08 0.00 0.38 0.00 0.00 41.96 41.66 1wt5 s TYR 54 CO 0.00 -0.36 0.73 1.63 -1.52 0.00 0.00 175.55 176.03 1wt5 n LYS 55 N -0.30 -4.09 0.00 -3.49 5.02 -1.15 -0.62 118.16 113.53 1wt5 n LYS 55 Ca -0.03 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1wt5 n LYS 55 Cb 0.65 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 1wt5 n LYS 55 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wt5 n VAL 56 N -4.47 0.00 -0.87 -0.18 0.31 -0.52 -3.89 118.33 108.72 1wt5 n VAL 56 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1wt5 n VAL 56 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1wt5 n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wt5 n SER 57 N 0.86 0.23 -4.65 4.52 3.41 -1.13 -3.51 113.62 113.35 1wt5 n SER 57 Ca 0.00 -1.10 -0.40 0.00 -0.26 0.00 0.00 58.87 57.11 1wt5 n SER 57 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1wt5 n SER 57 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wt5 s ASP 58 N -0.10 6.65 0.27 4.04 -0.00 0.21 -4.59 116.67 123.15 1wt5 s ASP 58 Ca 0.00 0.79 -0.30 0.00 -0.00 0.00 0.00 52.55 53.05 1wt5 s ASP 58 Cb 0.00 -2.34 -0.09 0.00 -0.00 0.00 0.00 42.92 40.48 1wt5 s ASP 58 CO 0.00 -0.30 1.10 -0.13 -0.00 0.00 0.00 175.17 175.84 1wt5 s ARG 59 N 2.09 4.64 0.42 8.23 0.52 -1.26 -0.39 118.95 133.20 1wt5 s ARG 59 Ca 0.28 1.79 -0.22 0.00 -0.52 0.00 0.00 55.73 57.06 1wt5 s ARG 59 Cb -0.16 -3.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.02 1wt5 s ARG 59 CO 0.10 0.20 0.99 0.12 0.02 0.00 0.00 175.30 176.73 1wt5 s PHE 60 N -1.07 3.29 0.11 -0.53 5.36 -0.48 -4.90 117.98 119.77 1wt5 s PHE 60 Ca 0.45 1.64 -0.35 0.00 -0.96 0.00 0.00 56.93 57.71 1wt5 s PHE 60 Cb -0.32 -2.96 -0.14 0.00 -0.34 0.00 0.00 43.02 39.26 1wt5 s PHE 60 CO 0.40 -0.32 1.56 -1.13 -1.46 0.00 0.00 175.22 174.27 1wt5 n SER 61 N -0.41 2.80 0.00 6.13 3.41 -1.26 -1.56 113.62 122.73 1wt5 n SER 61 Ca 0.06 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1wt5 n SER 61 Cb 0.52 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1wt5 n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wt5 n GLY 62 N 3.33 1.85 3.69 5.00 0.00 -1.26 -5.05 105.19 112.75 1wt5 n GLY 62 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1wt5 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wt5 s VAL 63 N -2.47 4.83 0.80 1.61 1.01 -0.60 -5.02 120.40 120.56 1wt5 s VAL 63 Ca 0.00 1.97 -0.14 0.00 0.00 0.00 0.00 61.98 63.81 1wt5 s VAL 63 Cb 0.00 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 32.15 1wt5 s VAL 63 CO 0.00 0.06 0.96 -2.65 0.00 0.00 0.00 175.10 173.47 1wt5 n PRO 64 N 4.69 0.18 0.08 2.72 -0.02 -1.26 -4.86 135.00 136.52 1wt5 n PRO 64 Ca 0.07 0.13 0.10 0.00 -2.02 0.00 0.00 63.50 61.77 1wt5 n PRO 64 Cb 0.49 -2.24 0.41 0.00 -0.02 0.00 0.00 33.50 32.15 1wt5 n PRO 64 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1wt5 n ASP 65 N -2.34 0.38 0.07 2.55 5.68 -1.26 -2.76 116.55 118.88 1wt5 n ASP 65 Ca 0.12 0.60 0.09 0.00 -0.50 0.00 0.00 54.79 55.10 1wt5 n ASP 65 Cb 0.51 -0.68 0.55 0.00 -1.14 0.00 0.00 41.12 40.36 1wt5 n ASP 65 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1wt5 h ARG 66 N 0.00 0.25 -6.47 0.11 3.08 -1.90 -3.42 114.38 106.03 1wt5 h ARG 66 Ca 0.00 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.50 1wt5 h ARG 66 Cb 0.31 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1wt5 h ARG 66 CO 0.00 0.16 -0.04 -0.06 -1.07 0.00 0.00 179.97 178.97 1wt5 s PHE 67 N -5.26 3.51 -0.15 3.04 0.40 -1.11 -2.44 117.98 115.96 1wt5 s PHE 67 Ca -0.07 1.07 -0.30 0.00 -0.60 0.00 0.00 56.93 57.03 1wt5 s PHE 67 Cb 0.18 -2.39 0.12 0.00 0.51 0.00 0.00 43.02 41.44 1wt5 s PHE 67 CO 0.71 0.30 0.96 -1.54 0.70 0.00 0.00 175.22 176.35 1wt5 s SER 68 N -2.03 -0.41 0.20 1.36 1.04 -0.87 -4.99 113.70 108.00 1wt5 s SER 68 Ca 0.45 0.47 0.06 0.00 0.48 0.00 0.00 55.95 57.41 1wt5 s SER 68 Cb -0.13 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 1wt5 s SER 68 CO 0.20 -0.37 -0.11 -0.83 0.98 0.00 0.00 173.24 173.11 1wt5 s GLY 69 N -1.04 1.37 0.14 7.32 0.00 -1.26 0.31 107.32 114.17 1wt5 s GLY 69 Ca -0.03 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 43.01 1wt5 s GLY 69 CO 0.02 -1.71 0.25 -1.14 0.00 0.00 0.00 173.10 170.53 1wt5 n SER 70 N -0.35 -0.73 0.00 1.64 3.41 -0.44 -4.32 113.62 112.82 1wt5 n SER 70 Ca -0.08 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1wt5 n SER 70 Cb 0.61 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 1wt5 n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wt5 n GLY 71 N -0.21 1.79 3.47 5.00 0.00 -1.26 -1.87 105.19 112.11 1wt5 n GLY 71 Ca -0.02 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.70 1wt5 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wt5 s SER 72 N 0.00 -0.50 0.00 1.61 1.04 -0.21 -4.95 113.70 110.69 1wt5 s SER 72 Ca 0.00 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1wt5 s SER 72 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wt5 s SER 72 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1wt5 n GLY 73 N -0.13 0.26 0.00 7.32 0.00 -1.26 -1.78 105.19 109.60 1wt5 n GLY 73 Ca -0.14 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1wt5 n GLY 73 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wt5 n THR 74 N 0.00 0.00 -4.77 2.61 5.66 -1.26 -3.12 114.28 113.40 1wt5 n THR 74 Ca 0.00 -0.26 -0.28 0.00 -3.05 0.00 0.00 64.05 60.46 1wt5 n THR 74 Cb 0.00 1.33 -0.17 0.00 -1.55 0.00 0.00 70.33 69.95 1wt5 n THR 74 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1wt5 s ASP 75 N -0.16 2.45 0.07 1.09 1.01 -0.73 -1.48 116.67 118.91 1wt5 s ASP 75 Ca 0.00 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 52.85 1wt5 s ASP 75 Cb 0.00 -1.12 -0.03 0.00 1.01 0.00 0.00 42.92 42.78 1wt5 s ASP 75 CO 0.00 0.07 -0.07 -0.36 0.21 0.00 0.00 175.17 175.02 1wt5 s PHE 76 N 0.64 0.78 -0.14 4.23 0.08 0.67 -1.05 117.98 123.21 1wt5 s PHE 76 Ca -0.14 -0.69 -0.10 0.00 0.12 0.00 0.00 56.93 56.12 1wt5 s PHE 76 Cb -0.16 -0.46 0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1wt5 s PHE 76 CO 0.04 -0.11 0.35 -0.08 -0.10 0.00 0.00 175.22 175.32 1wt5 s THR 77 N -2.42 -0.02 -0.03 0.64 -1.32 -0.78 -0.30 115.64 111.42 1wt5 s THR 77 Ca 0.00 0.06 -0.06 0.00 -1.21 0.00 0.00 61.69 60.48 1wt5 s THR 77 Cb -0.03 -0.51 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 1wt5 s THR 77 CO -0.02 0.02 0.23 -0.22 -2.21 0.00 0.00 174.62 172.42 1wt5 s LEU 78 N 0.80 4.38 -0.11 9.08 2.96 -0.03 -1.33 118.68 134.43 1wt5 s LEU 78 Ca -0.05 0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1wt5 s LEU 78 Cb -0.06 -2.50 0.02 0.00 0.50 0.00 0.00 46.19 44.16 1wt5 s LEU 78 CO -0.06 0.30 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.66 1wt5 s LYS 79 N -1.56 1.50 -0.85 1.98 1.02 0.15 -1.92 119.74 120.05 1wt5 s LYS 79 Ca 0.24 -0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.00 1wt5 s LYS 79 Cb -0.13 -1.57 0.28 0.00 -0.52 0.00 0.00 37.83 35.89 1wt5 s LYS 79 CO 0.13 -0.27 1.13 -0.89 -0.92 0.00 0.00 175.35 174.53 1wt5 n ILE 80 N 4.95 3.88 -1.68 2.17 5.41 -1.04 -2.06 119.36 130.99 1wt5 n ILE 80 Ca -0.12 -5.59 -0.46 0.00 1.00 0.00 0.00 62.75 57.57 1wt5 n ILE 80 Cb 0.50 -2.06 -0.04 0.00 -0.71 0.00 0.00 39.64 37.33 1wt5 n ILE 80 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1wt5 n SER 81 N 1.01 3.64 -2.23 4.38 3.41 -1.02 -2.81 113.62 119.99 1wt5 n SER 81 Ca 0.29 0.97 -0.04 0.00 -0.26 0.00 0.00 58.87 59.83 1wt5 n SER 81 Cb 0.37 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1wt5 n SER 81 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1wt5 n ARG 82 N 6.26 -1.36 -2.56 4.33 0.63 -1.25 -4.77 116.66 117.93 1wt5 n ARG 82 Ca 0.21 1.42 -0.40 0.00 -0.92 0.00 0.00 57.85 58.15 1wt5 n ARG 82 Cb 0.33 -3.75 -0.05 0.00 0.45 0.00 0.00 32.46 29.44 1wt5 n ARG 82 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wt5 s VAL 83 N -1.79 3.77 0.42 5.15 1.01 -1.13 -4.84 120.40 122.98 1wt5 s VAL 83 Ca 0.12 1.69 0.07 0.00 0.00 0.00 0.00 61.98 63.86 1wt5 s VAL 83 Cb -0.03 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1wt5 s VAL 83 CO 0.42 0.37 0.18 -1.61 0.00 0.00 0.00 175.10 174.46 1wt5 s GLU 84 N -1.02 2.23 0.19 2.72 2.02 -1.26 -1.95 118.70 121.63 1wt5 s GLU 84 Ca 0.45 -1.87 -0.11 0.00 0.02 0.00 0.00 54.97 53.46 1wt5 s GLU 84 Cb -0.29 -1.97 0.21 0.00 0.10 0.00 0.00 34.13 32.17 1wt5 s GLU 84 CO 0.37 -0.14 1.75 0.00 0.02 0.00 0.00 175.26 177.26 1wt5 h ALA 85 N 1.40 0.69 0.00 5.21 0.00 -1.99 -1.32 119.26 123.24 1wt5 h ALA 85 Ca -0.43 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1wt5 h ALA 85 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wt5 h ALA 85 CO 0.70 -0.18 0.00 -0.85 0.00 0.00 0.00 179.25 178.92 1wt5 n GLU 86 N -4.98 0.65 0.00 0.00 -0.00 -1.26 -2.62 120.64 112.43 1wt5 n GLU 86 Ca 0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.34 1wt5 n GLU 86 Cb 0.22 -1.11 0.10 0.00 -0.00 0.00 0.00 31.44 30.66 1wt5 n GLU 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1wt5 n ASP 87 N -0.61 1.03 -4.76 -1.84 8.00 -0.50 -4.93 116.55 112.94 1wt5 n ASP 87 Ca 0.03 -0.84 -0.36 0.00 0.71 0.00 0.00 54.79 54.33 1wt5 n ASP 87 Cb 0.02 0.52 0.01 0.00 -0.02 0.00 0.00 41.12 41.65 1wt5 n ASP 87 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1wt5 s VAL 88 N -2.82 2.90 -5.00 2.53 -7.23 -1.08 -4.88 120.40 104.82 1wt5 s VAL 88 Ca 0.14 0.59 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 1wt5 s VAL 88 Cb 0.17 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1wt5 s VAL 88 CO 0.70 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 176.01 1wt5 n GLY 89 N 0.37 0.02 3.61 2.32 0.00 -0.68 -4.36 105.19 106.48 1wt5 n GLY 89 Ca 0.12 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 1wt5 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wt5 s VAL 90 N -1.90 5.05 -0.05 1.61 1.01 -0.87 -1.01 120.40 124.25 1wt5 s VAL 90 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1wt5 s VAL 90 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1wt5 s VAL 90 CO 0.00 0.36 0.18 -0.31 0.00 0.00 0.00 175.10 175.33 1wt5 s TYR 91 N 1.09 3.58 -0.02 5.22 1.51 0.59 -0.94 117.35 128.38 1wt5 s TYR 91 Ca 0.06 0.46 0.02 0.00 -1.01 0.00 0.00 57.07 56.60 1wt5 s TYR 91 Cb -0.14 -1.90 0.00 0.00 -0.11 0.00 0.00 41.96 39.82 1wt5 s TYR 91 CO 0.04 0.68 -0.06 0.71 -1.11 0.00 0.00 175.55 175.81 1wt5 s TYR 92 N -1.19 0.70 0.44 2.71 2.02 0.10 -0.79 117.35 121.34 1wt5 s TYR 92 Ca 0.22 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1wt5 s TYR 92 Cb -0.12 -0.52 -0.01 0.00 -0.40 0.00 0.00 41.96 40.91 1wt5 s TYR 92 CO 0.12 -0.08 0.66 0.00 -1.57 0.00 0.00 175.55 174.68 1wt5 s PHE 94 N -2.53 -0.58 -0.07 0.00 5.36 0.21 -0.91 117.98 119.46 1wt5 s PHE 94 Ca 0.48 1.33 0.05 0.00 -0.96 0.00 0.00 56.93 57.82 1wt5 s PHE 94 Cb -0.10 0.24 -0.00 0.00 -0.34 0.00 0.00 43.02 42.81 1wt5 s PHE 94 CO 0.38 -0.36 -0.22 1.14 -1.46 0.00 0.00 175.22 174.69 1wt5 s GLN 95 N -0.13 2.57 0.00 10.12 1.03 -0.56 -0.11 119.66 132.58 1wt5 s GLN 95 Ca -0.03 -0.81 0.06 0.00 0.04 0.00 0.00 55.36 54.61 1wt5 s GLN 95 Cb -0.03 -2.07 0.13 0.00 0.03 0.00 0.00 33.01 31.06 1wt5 s GLN 95 CO 0.03 0.25 0.98 0.41 -2.54 0.00 0.00 175.29 174.42 1wt5 n GLY 96 N 3.27 1.48 0.14 2.60 0.00 -0.54 -2.29 105.19 109.85 1wt5 n GLY 96 Ca -0.19 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 1wt5 n GLY 96 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wt5 h SER 97 N 1.17 0.38 -3.07 1.61 0.02 -1.85 -3.45 113.55 108.37 1wt5 h SER 97 Ca 0.00 -0.30 -0.64 0.00 -0.84 0.00 0.00 61.79 60.01 1wt5 h SER 97 Cb 0.49 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.85 1wt5 h SER 97 CO 0.00 0.59 -0.56 -1.00 -1.14 0.00 0.00 176.83 174.71 1wt5 s HIS 98 N -5.01 3.32 -0.16 3.45 3.76 -1.26 -4.90 115.29 114.49 1wt5 s HIS 98 Ca -0.14 0.19 -0.18 0.00 -0.15 0.00 0.00 55.06 54.78 1wt5 s HIS 98 Cb 0.07 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 1wt5 s HIS 98 CO 0.74 0.56 0.48 0.42 -0.85 0.00 0.00 174.74 176.09 1wt5 s ILE 99 N -1.32 5.16 0.37 0.60 1.01 -1.26 -2.71 121.20 123.04 1wt5 s ILE 99 Ca 0.27 0.92 -0.11 0.00 0.00 0.00 0.00 60.65 61.73 1wt5 s ILE 99 Cb -0.12 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 1wt5 s ILE 99 CO 0.19 0.25 0.74 -2.16 0.00 0.00 0.00 174.94 173.97 1wt5 s PRO 100 N 1.13 3.82 0.73 2.79 0.04 -1.26 -3.67 135.00 138.59 1wt5 s PRO 100 Ca 0.24 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 61.61 1wt5 s PRO 100 Cb -0.15 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 32.00 1wt5 s PRO 100 CO 0.10 0.03 1.22 -2.14 0.04 0.00 0.00 177.00 176.25 1wt5 s PRO 101 N -3.60 2.10 -0.02 0.56 0.02 -1.10 -2.66 135.00 130.29 1wt5 s PRO 101 Ca 0.51 1.82 -0.12 0.00 0.02 0.00 0.00 61.00 63.24 1wt5 s PRO 101 Cb -0.10 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.61 1wt5 s PRO 101 CO 0.28 -1.88 0.25 0.95 -0.33 0.00 0.00 177.00 176.26 1wt5 s THR 102 N -1.91 0.06 0.26 0.99 -4.23 -0.97 -4.85 115.64 104.99 1wt5 s THR 102 Ca 0.76 -0.47 0.08 0.00 -1.18 0.00 0.00 61.69 60.87 1wt5 s THR 102 Cb -0.31 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1wt5 s THR 102 CO 0.45 -0.26 0.13 -0.36 -0.54 0.00 0.00 174.62 174.04 1wt5 s PHE 103 N -1.12 2.96 1.11 3.99 0.40 -1.26 -1.50 117.98 122.55 1wt5 s PHE 103 Ca -0.12 -0.16 -0.19 0.00 -0.60 0.00 0.00 56.93 55.87 1wt5 s PHE 103 Cb -0.06 -1.34 0.26 0.00 0.51 0.00 0.00 43.02 42.40 1wt5 s PHE 103 CO 0.03 0.55 1.25 0.20 0.70 0.00 0.00 175.22 177.95 1wt5 s GLY 104 N -3.79 1.72 0.37 4.36 0.00 -0.09 -4.60 107.32 105.30 1wt5 s GLY 104 Ca 0.33 -1.22 0.20 0.00 0.00 0.00 0.00 44.72 44.02 1wt5 s GLY 104 CO 0.23 -0.34 1.61 1.46 0.00 0.00 0.00 173.10 176.06 1wt5 h GLN 105 N -2.21 0.00 0.00 2.90 4.20 -1.91 -3.45 115.11 114.64 1wt5 h GLN 105 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1wt5 h GLN 105 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1wt5 h GLN 105 CO 0.30 0.31 0.00 0.41 -0.67 0.00 0.00 178.83 179.18 1wt5 n GLY 106 N 0.84 2.49 3.33 3.46 0.00 -1.26 -5.05 105.19 109.00 1wt5 n GLY 106 Ca 0.02 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 1wt5 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wt5 s THR 107 N -0.39 3.28 -0.32 2.61 2.01 0.03 -4.73 115.64 118.12 1wt5 s THR 107 Ca 0.00 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 1wt5 s THR 107 Cb 0.00 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1wt5 s THR 107 CO 0.00 0.46 0.54 -0.75 -0.69 0.00 0.00 174.62 174.17 1wt5 s LYS 108 N 1.11 3.78 -0.21 4.92 2.20 -0.51 -0.30 119.74 130.73 1wt5 s LYS 108 Ca 0.01 0.04 -0.09 0.00 -0.36 0.00 0.00 55.97 55.57 1wt5 s LYS 108 Cb -0.15 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 1wt5 s LYS 108 CO -0.01 -0.56 0.12 0.08 -0.36 0.00 0.00 175.35 174.61 1wt5 s VAL 109 N 2.42 5.12 -0.01 4.02 1.01 -0.18 -0.49 120.40 132.30 1wt5 s VAL 109 Ca 0.21 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 1wt5 s VAL 109 Cb -0.15 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 1wt5 s VAL 109 CO 0.12 0.40 0.09 -1.83 0.00 0.00 0.00 175.10 173.89 1wt5 s GLU 110 N 0.72 0.33 0.00 2.72 -1.05 -1.21 -1.68 118.70 118.53 1wt5 s GLU 110 Ca 0.06 -0.27 0.27 0.00 -0.15 0.00 0.00 54.97 54.88 1wt5 s GLU 110 Cb -0.13 0.14 0.74 0.00 -0.44 0.00 0.00 34.13 34.44 1wt5 s GLU 110 CO 0.02 -0.07 1.57 0.44 0.95 0.00 0.00 175.26 178.17