#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rdu s ALA 2 N 0.00 -1.30 -0.51 3.17 0.00 -1.26 -4.99 121.76 116.87 1rdu s ALA 2 Ca 0.00 1.79 -0.17 0.00 0.00 0.00 0.00 51.96 53.58 1rdu s ALA 2 Cb 0.00 -1.11 0.08 0.00 0.00 0.00 0.00 23.12 22.09 1rdu s ALA 2 CO 0.00 -0.35 0.50 1.03 0.00 0.00 0.00 175.76 176.94 1rdu s ARG 3 N 1.59 3.02 0.49 0.00 0.52 -1.26 -0.28 118.95 123.04 1rdu s ARG 3 Ca -0.09 -1.32 -0.12 0.00 -0.52 0.00 0.00 55.73 53.67 1rdu s ARG 3 Cb -0.08 -4.18 -0.06 0.00 0.52 0.00 0.00 34.95 31.15 1rdu s ARG 3 CO -0.15 -1.19 0.90 0.54 0.02 0.00 0.00 175.30 175.42 1rdu s VAL 4 N 1.96 4.69 0.05 3.52 0.11 -0.48 -1.77 120.40 128.48 1rdu s VAL 4 Ca 0.07 0.85 0.06 0.00 -2.93 0.00 0.00 61.98 60.03 1rdu s VAL 4 Cb -0.24 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 1rdu s VAL 4 CO 0.07 -0.72 -0.11 0.00 -3.33 0.00 0.00 175.10 171.01 1rdu s ALA 5 N -2.64 2.89 -0.08 1.54 0.00 -1.17 -1.58 121.76 120.72 1rdu s ALA 5 Ca 0.54 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1rdu s ALA 5 Cb -0.10 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1rdu s ALA 5 CO 0.36 0.61 -0.15 0.42 0.00 0.00 0.00 175.76 177.01 1rdu s ILE 6 N -1.05 1.34 -0.37 0.00 1.09 0.21 -1.89 121.20 120.53 1rdu s ILE 6 Ca 0.18 -0.59 -0.29 0.00 -1.10 0.00 0.00 60.65 58.85 1rdu s ILE 6 Cb -0.11 -1.21 0.01 0.00 -1.06 0.00 0.00 42.46 40.09 1rdu s ILE 6 CO 0.09 0.40 1.34 -2.16 -0.10 0.00 0.00 174.94 174.51 1rdu s PRO 7 N 0.68 3.72 0.43 2.79 0.04 -1.26 -1.01 135.00 140.40 1rdu s PRO 7 Ca -0.14 1.02 0.07 0.00 0.04 0.00 0.00 61.00 61.99 1rdu s PRO 7 Cb -0.16 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 1rdu s PRO 7 CO 0.04 -1.37 0.27 0.45 0.04 0.00 0.00 177.00 176.42 1rdu s SER 8 N 3.33 4.64 -0.27 6.66 0.15 0.31 -0.57 113.70 127.96 1rdu s SER 8 Ca 0.58 -1.00 0.15 0.00 0.70 0.00 0.00 55.95 56.38 1rdu s SER 8 Cb -0.14 -0.39 0.48 0.00 -1.71 0.00 0.00 66.02 64.26 1rdu s SER 8 CO 0.29 -0.65 1.15 1.33 1.20 0.00 0.00 173.24 176.56 1rdu n VAL 9 N -1.40 1.86 0.00 4.45 0.24 -1.04 -1.78 118.33 120.67 1rdu n VAL 9 Ca 0.00 -3.49 0.00 0.00 -2.04 0.00 0.00 64.34 58.81 1rdu n VAL 9 Cb 0.64 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1rdu n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rdu n GLY 10 N -0.64 0.04 2.69 7.63 0.00 -1.26 -4.73 105.19 108.93 1rdu n GLY 10 Ca 0.25 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1rdu n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rdu n LYS 11 N -0.14 3.10 -4.01 1.61 2.85 -1.26 -4.78 118.16 115.53 1rdu n LYS 11 Ca 0.00 -4.03 -0.08 0.00 -1.05 0.00 0.00 58.31 53.15 1rdu n LYS 11 Cb 0.00 -2.26 -0.10 0.00 -0.65 0.00 0.00 35.03 32.02 1rdu n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rdu s ASP 12 N -2.35 0.33 0.00 -5.58 1.01 -1.26 -5.03 116.67 103.79 1rdu s ASP 12 Ca 0.50 -0.77 0.28 0.00 0.71 0.00 0.00 52.55 53.27 1rdu s ASP 12 Cb 0.42 0.21 1.65 0.00 1.01 0.00 0.00 42.92 46.21 1rdu s ASP 12 CO -0.30 -0.54 2.03 -0.11 0.21 0.00 0.00 175.17 176.45 1rdu n LEU 13 N 0.49 0.00 -1.99 1.23 -0.00 -1.26 -2.16 117.00 113.32 1rdu n LEU 13 Ca -0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.74 1rdu n LEU 13 Cb 0.60 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.07 1rdu n LEU 13 CO 0.25 0.00 0.14 -0.24 -0.00 0.00 0.00 177.39 177.54 1rdu n SER 14 N -0.96 3.18 -4.89 1.96 2.88 -1.26 -1.74 113.62 112.78 1rdu n SER 14 Ca 0.21 -3.15 -0.29 0.00 -1.33 0.00 0.00 58.87 54.31 1rdu n SER 14 Cb 0.10 -0.40 0.05 0.00 -0.75 0.00 0.00 64.21 63.20 1rdu n SER 14 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1rdu s SER 15 N -3.47 5.39 0.14 -3.46 0.01 -0.92 -4.78 113.70 106.61 1rdu s SER 15 Ca 0.41 1.03 -0.30 0.00 1.31 0.00 0.00 55.95 58.40 1rdu s SER 15 Cb 0.38 -1.83 -0.07 0.00 0.21 0.00 0.00 66.02 64.71 1rdu s SER 15 CO -0.02 -1.35 1.01 -0.04 0.41 0.00 0.00 173.24 173.26 1rdu s MET 16 N -5.32 4.67 0.22 12.44 -1.94 -1.26 -0.36 119.30 127.75 1rdu s MET 16 Ca 0.58 1.55 -0.30 0.00 -1.71 0.00 0.00 55.69 55.81 1rdu s MET 16 Cb -0.11 -3.34 -0.08 0.00 2.01 0.00 0.00 34.83 33.31 1rdu s MET 16 CO 0.50 0.18 1.09 0.08 -0.01 0.00 0.00 175.02 176.87 1rdu s VAL 17 N -0.15 3.74 -0.14 -6.03 1.01 -0.14 -2.49 120.40 116.19 1rdu s VAL 17 Ca 0.47 1.60 -0.14 0.00 0.00 0.00 0.00 61.98 63.91 1rdu s VAL 17 Cb -0.26 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1rdu s VAL 17 CO 0.32 0.32 0.31 -0.55 0.00 0.00 0.00 175.10 175.50 1rdu s SER 18 N -0.44 6.48 0.00 3.32 0.15 0.27 -4.80 113.70 118.68 1rdu s SER 18 Ca 0.47 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1rdu s SER 18 Cb -0.30 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1rdu s SER 18 CO 0.37 0.12 1.83 0.47 1.20 0.00 0.00 173.24 177.22 1rdu n ASP 19 N 3.41 4.94 -3.13 5.45 8.00 -1.26 -4.49 116.55 129.47 1rdu n ASP 19 Ca -0.12 -2.33 0.02 0.00 0.71 0.00 0.00 54.79 53.08 1rdu n ASP 19 Cb 0.52 -1.02 -0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1rdu n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rdu s ARG 20 N 0.03 0.60 0.12 -1.24 1.70 -1.25 -4.09 118.95 114.82 1rdu s ARG 20 Ca 0.00 0.02 -0.24 0.00 -0.47 0.00 0.00 55.73 55.04 1rdu s ARG 20 Cb 0.00 0.13 -0.05 0.00 -0.57 0.00 0.00 34.95 34.46 1rdu s ARG 20 CO 0.00 -0.94 1.66 0.35 -1.08 0.00 0.00 175.30 175.29 1rdu h PHE 21 N 7.06 -0.46 0.00 5.89 3.57 -1.19 -2.37 116.94 129.44 1rdu h PHE 21 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1rdu h PHE 21 Cb 1.19 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1rdu h PHE 21 CO 0.12 -0.26 0.00 0.00 -2.23 0.00 0.00 178.31 175.94 1rdu n ALA 22 N -2.56 2.31 -2.72 2.41 0.00 -1.26 -3.36 120.51 115.33 1rdu n ALA 22 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 1rdu n ALA 22 Cb 0.23 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.74 1rdu n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rdu n ARG 23 N -0.29 1.36 -3.95 0.00 5.12 -0.90 -4.69 116.66 113.31 1rdu n ARG 23 Ca 0.00 -2.70 -0.35 0.00 -1.93 0.00 0.00 57.85 52.87 1rdu n ARG 23 Cb 0.08 -0.87 -0.10 0.00 -1.16 0.00 0.00 32.46 30.41 1rdu n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rdu s ALA 24 N -2.30 3.37 0.20 7.54 0.00 -1.20 -4.91 121.76 124.47 1rdu s ALA 24 Ca 0.23 -0.82 0.35 0.00 0.00 0.00 0.00 51.96 51.72 1rdu s ALA 24 Cb 0.34 -1.97 1.55 0.00 0.00 0.00 0.00 23.12 23.04 1rdu s ALA 24 CO -0.07 0.04 2.05 0.93 0.00 0.00 0.00 175.76 178.70 1rdu h GLU 25 N 7.02 0.00 -3.79 0.00 5.08 -1.51 -3.41 114.58 117.97 1rdu h GLU 25 Ca -0.37 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.85 1rdu h GLU 25 Cb 1.17 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.23 1rdu h GLU 25 CO 0.67 0.01 -0.58 0.71 -1.00 0.00 0.00 179.01 178.82 1rdu s TYR 26 N -3.76 0.19 -0.11 4.33 2.02 -0.92 -0.93 117.35 118.17 1rdu s TYR 26 Ca 0.00 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.27 1rdu s TYR 26 Cb 0.10 -0.14 0.03 0.00 -0.40 0.00 0.00 41.96 41.54 1rdu s TYR 26 CO 0.52 -0.28 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.11 1rdu s PHE 27 N -1.91 1.25 -0.37 2.71 0.08 -0.38 -0.53 117.98 118.83 1rdu s PHE 27 Ca -0.11 -0.59 -0.15 0.00 0.12 0.00 0.00 56.93 56.19 1rdu s PHE 27 Cb -0.06 -1.11 0.00 0.00 -0.57 0.00 0.00 43.02 41.28 1rdu s PHE 27 CO -0.02 -0.47 0.34 0.42 -0.10 0.00 0.00 175.22 175.39 1rdu s ILE 28 N 1.78 5.20 -0.37 0.64 -1.09 -0.18 -0.58 121.20 126.60 1rdu s ILE 28 Ca 0.05 -0.25 -0.13 0.00 -2.23 0.00 0.00 60.65 58.09 1rdu s ILE 28 Cb -0.13 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 1rdu s ILE 28 CO -0.07 -0.20 0.24 -0.63 -1.23 0.00 0.00 174.94 173.05 1rdu s ILE 29 N 1.90 5.00 -0.21 2.92 1.01 0.10 -0.62 121.20 131.31 1rdu s ILE 29 Ca 0.09 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 1rdu s ILE 29 Cb -0.17 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1rdu s ILE 29 CO 0.11 -0.15 0.07 -0.47 0.00 0.00 0.00 174.94 174.51 1rdu s TYR 30 N 1.65 3.19 -0.42 3.97 5.04 -0.61 -1.19 117.35 128.98 1rdu s TYR 30 Ca 0.05 -0.09 -0.26 0.00 -2.44 0.00 0.00 57.07 54.33 1rdu s TYR 30 Cb -0.18 -2.15 0.02 0.00 0.35 0.00 0.00 41.96 39.99 1rdu s TYR 30 CO 0.09 -0.04 0.96 -0.51 -1.34 0.00 0.00 175.55 174.70 1rdu s ASP 31 N 0.90 6.61 -0.65 4.32 1.01 -0.32 -1.38 116.67 127.16 1rdu s ASP 31 Ca 0.04 0.39 -0.07 0.00 0.71 0.00 0.00 52.55 53.62 1rdu s ASP 31 Cb -0.14 -2.47 -0.16 0.00 1.01 0.00 0.00 42.92 41.16 1rdu s ASP 31 CO 0.03 -0.99 2.99 0.35 0.21 0.00 0.00 175.17 177.76 1rdu n THR 32 N 6.27 3.14 0.00 -1.27 -2.24 0.61 -3.07 114.28 117.72 1rdu n THR 32 Ca 0.07 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 1rdu n THR 32 Cb 0.48 -2.18 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 1rdu n THR 32 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1rdu n GLU 33 N 3.11 0.00 -2.41 -0.78 2.13 -1.26 -4.04 120.64 117.40 1rdu n GLU 33 Ca 0.52 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.32 1rdu n GLU 33 Cb 0.53 -0.21 0.08 0.00 0.27 0.00 0.00 31.44 32.10 1rdu n GLU 33 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1rdu n SER 34 N -0.97 -0.59 0.00 4.31 7.64 -1.23 -4.99 113.62 117.79 1rdu n SER 34 Ca 0.00 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.75 1rdu n SER 34 Cb 0.00 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1rdu n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rdu n GLY 35 N -1.01 0.00 3.75 0.23 0.00 -1.17 -4.94 105.19 102.05 1rdu n GLY 35 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1rdu n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rdu s ASN 36 N -1.51 5.39 0.01 1.61 0.01 -1.26 -4.84 114.94 114.35 1rdu s ASN 36 Ca 0.00 2.70 0.01 0.00 -0.71 0.00 0.00 52.86 54.86 1rdu s ASN 36 Cb 0.00 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 1rdu s ASN 36 CO 0.00 -1.48 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.39 1rdu s VAL 37 N -1.34 0.19 -0.07 1.60 1.01 -1.26 -1.18 120.40 119.36 1rdu s VAL 37 Ca 0.70 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1rdu s VAL 37 Cb -0.39 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1rdu s VAL 37 CO 0.46 -0.08 -0.20 -0.70 0.00 0.00 0.00 175.10 174.58 1rdu s GLU 38 N -0.40 2.37 -0.41 2.72 2.56 -0.33 -4.95 118.70 120.26 1rdu s GLU 38 Ca -0.03 -0.72 -0.17 0.00 0.00 0.00 0.00 54.97 54.05 1rdu s GLU 38 Cb -0.03 -1.91 0.02 0.00 2.00 0.00 0.00 34.13 34.21 1rdu s GLU 38 CO -0.00 0.20 0.41 0.08 -0.56 0.00 0.00 175.26 175.39 1rdu s VAL 39 N 0.24 5.12 0.45 3.70 1.01 -1.26 -0.72 120.40 128.94 1rdu s VAL 39 Ca -0.12 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 1rdu s VAL 39 Cb -0.15 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 1rdu s VAL 39 CO 0.05 -0.38 0.97 -0.69 0.00 0.00 0.00 175.10 175.06 1rdu s VAL 40 N 2.06 4.31 -0.27 2.92 1.01 0.25 -4.93 120.40 125.75 1rdu s VAL 40 Ca 0.11 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.50 1rdu s VAL 40 Cb -0.17 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 32.69 1rdu s VAL 40 CO 0.13 -0.35 -0.03 -0.70 0.00 0.00 0.00 175.10 174.15 1rdu s GLU 41 N -3.30 1.61 -0.13 2.72 2.12 -1.26 -1.25 118.70 119.21 1rdu s GLU 41 Ca 0.62 -1.26 0.02 0.00 0.36 0.00 0.00 54.97 54.71 1rdu s GLU 41 Cb -0.10 -2.72 0.01 0.00 0.26 0.00 0.00 34.13 31.59 1rdu s GLU 41 CO 0.16 -0.71 -0.18 1.21 -0.54 0.00 0.00 175.26 175.20 1rdu s ASN 42 N 1.25 2.76 -0.82 -1.70 3.84 -0.10 -4.95 114.94 115.21 1rdu s ASN 42 Ca -0.01 -0.51 0.02 0.00 0.21 0.00 0.00 52.86 52.56 1rdu s ASN 42 Cb -0.19 -1.25 0.32 0.00 -0.55 0.00 0.00 41.25 39.58 1rdu s ASN 42 CO -0.08 0.03 1.33 0.35 -2.79 0.00 0.00 177.10 175.94 1rdu n THR 43 N 4.22 4.44 -2.46 -5.21 -2.24 -1.26 -4.18 114.28 107.58 1rdu n THR 43 Ca -0.19 -5.75 -0.43 0.00 -2.27 0.00 0.00 64.05 55.41 1rdu n THR 43 Cb 0.51 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1rdu n THR 43 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1rdu n ILE 44 N 0.12 3.96 -1.48 2.28 -0.00 -1.26 -4.81 119.36 118.17 1rdu n ILE 44 Ca 0.37 -4.06 -0.28 0.00 -0.00 0.00 0.00 62.75 58.77 1rdu n ILE 44 Cb 0.34 -2.43 0.09 0.00 -0.00 0.00 0.00 39.64 37.64 1rdu n ILE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1rdu n ALA 45 N 6.73 5.78 -2.43 -1.28 0.00 -1.26 -4.88 120.51 123.16 1rdu n ALA 45 Ca 0.46 -3.44 -0.08 0.00 0.00 0.00 0.00 53.44 50.38 1rdu n ALA 45 Cb 0.43 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 1rdu n ALA 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rdu s ASP 46 N -2.21 0.23 -0.25 0.00 2.15 -1.26 -5.14 116.67 110.20 1rdu s ASP 46 Ca 0.59 -0.74 -0.04 0.00 0.43 0.00 0.00 52.55 52.78 1rdu s ASP 46 Cb 0.47 0.29 0.09 0.00 -0.30 0.00 0.00 42.92 43.47 1rdu s ASP 46 CO 0.02 -0.68 0.13 0.00 -0.17 0.00 0.00 175.17 174.47 1rdu s ALA 47 N -3.79 0.46 0.00 3.66 0.00 -1.26 -4.99 121.76 115.85 1rdu s ALA 47 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1rdu s ALA 47 Cb 0.05 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1rdu s ALA 47 CO -0.10 -1.48 0.00 1.58 0.00 0.00 0.00 175.76 175.75 1rdu n HIS 48 N 5.27 -0.52 0.00 0.00 -0.00 -1.26 -5.18 115.22 113.52 1rdu n HIS 48 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 1rdu n HIS 48 Cb 0.45 0.36 0.00 0.00 -0.00 0.00 0.00 29.99 30.80 1rdu n HIS 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1rdu n GLY 49 N 0.64 1.57 2.95 1.57 0.00 -1.26 -5.10 105.19 105.56 1rdu n GLY 49 Ca 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 46.02 43.80 1rdu n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rdu n THR 50 N -0.39 -8.16 0.00 2.61 -1.04 -1.26 -5.04 114.28 101.01 1rdu n THR 50 Ca 0.00 1.16 0.00 0.00 -2.04 0.00 0.00 64.05 63.17 1rdu n THR 50 Cb 0.00 -5.49 0.00 0.00 -1.82 0.00 0.00 70.33 63.02 1rdu n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rdu n GLY 51 N 0.67 3.93 0.08 3.41 0.00 -1.26 -5.04 105.19 106.98 1rdu n GLY 51 Ca 0.01 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1rdu n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rdu h PRO 52 N 0.00 -0.04 0.00 1.61 0.13 -1.96 -3.47 132.00 128.27 1rdu h PRO 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1rdu h PRO 52 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1rdu h PRO 52 CO 0.00 0.63 0.00 1.63 -0.23 0.00 0.00 178.00 180.03 1rdu n LYS 53 N -4.77 0.00 0.00 0.86 4.01 -1.26 -4.30 118.16 112.71 1rdu n LYS 53 Ca -0.09 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.62 1rdu n LYS 53 Cb 0.34 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.80 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1rdu h VAL 54 N 0.00 0.00 -0.26 -0.18 3.04 -1.98 -0.54 116.25 116.33 1rdu h VAL 54 Ca 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.74 1rdu h VAL 54 Cb 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 29.23 1rdu h VAL 54 CO 0.00 0.00 -0.03 0.58 -1.01 0.00 0.00 177.57 177.11 1rdu h VAL 55 N -0.37 0.77 -0.52 1.51 2.07 -1.96 -1.33 116.25 116.42 1rdu h VAL 55 Ca 0.02 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1rdu h VAL 55 Cb 0.42 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 30.83 1rdu h VAL 55 CO -0.25 0.01 -0.11 1.56 0.02 0.00 0.00 177.57 178.79 1rdu h GLN 56 N 0.04 0.01 0.47 1.57 1.08 -1.74 0.36 115.11 116.90 1rdu h GLN 56 Ca 0.12 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1rdu h GLN 56 Cb 0.18 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1rdu h GLN 56 CO -0.24 0.01 -0.23 1.03 -0.95 0.00 0.00 178.83 178.45 1rdu h SER 57 N 0.01 -0.54 -0.70 1.46 0.87 -0.65 -1.00 113.55 113.00 1rdu h SER 57 Ca 0.25 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1rdu h SER 57 Cb 0.39 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1rdu h SER 57 CO -0.53 -0.32 0.45 -0.07 -0.53 0.00 0.00 176.83 175.84 1rdu h LEU 58 N -0.73 0.76 -0.47 2.23 3.38 -0.63 -1.59 115.31 118.27 1rdu h LEU 58 Ca -0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1rdu h LEU 58 Cb 0.53 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1rdu h LEU 58 CO 0.11 0.54 0.29 0.58 0.09 0.00 0.00 178.44 180.04 1rdu h VAL 59 N 0.90 1.14 -0.12 1.22 2.07 -0.95 -0.85 116.25 119.66 1rdu h VAL 59 Ca 0.27 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1rdu h VAL 59 Cb -0.04 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1rdu h VAL 59 CO -0.09 0.14 0.13 0.28 0.02 0.00 0.00 177.57 178.05 1rdu h SER 60 N 0.62 0.00 -0.90 0.57 0.02 -0.25 -1.40 113.55 112.21 1rdu h SER 60 Ca 0.17 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.54 1rdu h SER 60 Cb -0.02 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.22 1rdu h SER 60 CO -0.03 0.00 0.50 0.29 -1.14 0.00 0.00 176.83 176.45 1rdu n LYS 61 N -3.91 2.63 -1.07 3.45 5.02 -0.38 -4.93 118.16 118.97 1rdu n LYS 61 Ca -0.00 -3.34 -0.02 0.00 -2.02 0.00 0.00 58.31 52.93 1rdu n LYS 61 Cb 0.24 -2.22 -0.01 0.00 -0.02 0.00 0.00 35.03 33.02 1rdu n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rdu n GLY 62 N -0.96 0.38 3.58 0.72 0.00 -0.53 -4.94 105.19 103.44 1rdu n GLY 62 Ca 0.57 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 1rdu n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rdu s VAL 63 N -1.52 3.41 -0.51 1.61 1.01 -0.86 -4.37 120.40 119.18 1rdu s VAL 63 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1rdu s VAL 63 Cb 0.00 -3.76 0.51 0.00 0.00 0.00 0.00 36.38 33.13 1rdu s VAL 63 CO 0.00 -0.61 1.80 -0.62 0.00 0.00 0.00 175.10 175.67 1rdu n GLU 64 N 8.77 2.62 -3.76 2.72 1.02 -0.73 -4.66 120.64 126.63 1rdu n GLU 64 Ca 0.22 -3.35 -0.01 0.00 -0.02 0.00 0.00 57.16 54.00 1rdu n GLU 64 Cb 0.50 -2.20 -0.00 0.00 -0.02 0.00 0.00 31.44 29.71 1rdu n GLU 64 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1rdu s TYR 65 N -3.60 -0.03 -0.03 -0.32 2.02 -1.21 -3.07 117.35 111.11 1rdu s TYR 65 Ca 0.58 -0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.80 1rdu s TYR 65 Cb 0.47 0.61 0.10 0.00 -0.40 0.00 0.00 41.96 42.75 1rdu s TYR 65 CO 0.03 -0.57 0.88 -1.17 -1.57 0.00 0.00 175.55 173.15 1rdu s LEU 66 N -3.17 -0.39 -0.27 -1.29 2.96 -0.46 -3.04 118.68 113.02 1rdu s LEU 66 Ca 0.17 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 1rdu s LEU 66 Cb 0.01 2.05 0.08 0.00 0.50 0.00 0.00 46.19 48.82 1rdu s LEU 66 CO 0.00 -0.58 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.80 1rdu s ILE 67 N -2.68 1.71 -0.21 6.68 1.01 -0.79 -0.37 121.20 126.56 1rdu s ILE 67 Ca 0.03 -1.58 -0.12 0.00 0.00 0.00 0.00 60.65 58.97 1rdu s ILE 67 Cb -0.01 -2.07 0.06 0.00 0.01 0.00 0.00 42.46 40.46 1rdu s ILE 67 CO -0.06 -0.30 0.51 0.00 0.00 0.00 0.00 174.94 175.09 1rdu s ALA 68 N 1.26 -1.33 0.45 9.38 0.00 0.71 -4.08 121.76 128.15 1rdu s ALA 68 Ca 0.00 1.80 0.25 0.00 0.00 0.00 0.00 51.96 54.01 1rdu s ALA 68 Cb -0.19 -1.08 1.42 0.00 0.00 0.00 0.00 23.12 23.28 1rdu s ALA 68 CO -0.09 -0.30 2.09 0.66 0.00 0.00 0.00 175.76 178.12 1rdu h SER 69 N 6.91 0.00 -2.08 0.00 4.64 -1.76 -3.34 113.55 117.92 1rdu h SER 69 Ca -0.34 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.14 1rdu h SER 69 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 1rdu h SER 69 CO 0.24 0.11 0.52 -3.20 -0.87 0.00 0.00 176.83 173.63 1rdu n ASN 70 N -3.83 -1.31 -3.99 4.97 2.85 -1.26 -4.83 115.26 107.86 1rdu n ASN 70 Ca -0.02 -1.63 -0.09 0.00 -0.11 0.00 0.00 54.58 52.73 1rdu n ASN 70 Cb 0.21 2.12 -0.10 0.00 1.24 0.00 0.00 39.78 43.25 1rdu n ASN 70 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1rdu s VAL 71 N -2.14 0.15 0.18 3.44 0.11 -1.26 -0.79 120.40 120.09 1rdu s VAL 71 Ca 0.19 -1.20 -0.17 0.00 -2.93 0.00 0.00 61.98 57.87 1rdu s VAL 71 Cb -0.02 -0.79 0.14 0.00 -1.53 0.00 0.00 36.38 34.18 1rdu s VAL 71 CO 0.04 -0.66 1.63 1.23 -3.33 0.00 0.00 175.10 174.00 1rdu h GLY 72 N 3.95 0.19 0.00 6.54 0.00 -1.85 -3.42 103.07 108.49 1rdu h GLY 72 Ca -0.33 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1rdu h GLY 72 CO 0.50 -0.21 0.00 -2.13 0.00 0.00 0.00 176.54 174.71 1rdu n ARG 73 N -5.39 0.00 -2.20 4.80 0.63 -1.26 -4.24 116.66 109.00 1rdu n ARG 73 Ca 0.04 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.54 1rdu n ARG 73 Cb 0.30 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.19 1rdu n ARG 73 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1rdu s ASN 74 N -4.00 6.79 0.00 6.15 3.04 -1.26 -3.73 114.94 121.93 1rdu s ASN 74 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 52.86 54.88 1rdu s ASN 74 Cb 0.00 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.17 1rdu s ASN 74 CO 0.00 -0.86 0.00 0.00 -3.04 0.00 0.00 177.10 173.20 1rdu n ALA 75 N 6.93 0.00 -0.26 1.71 0.00 -1.26 -4.87 120.51 122.76 1rdu n ALA 75 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1rdu n ALA 75 Cb 0.44 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.06 1rdu n ALA 75 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1rdu h PHE 76 N 0.00 0.61 -0.09 0.00 3.57 -1.97 0.70 116.94 119.76 1rdu h PHE 76 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1rdu h PHE 76 Cb 0.00 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1rdu h PHE 76 CO 0.00 0.16 -0.17 0.93 -2.23 0.00 0.00 178.31 176.99 1rdu h GLU 77 N 0.54 0.14 0.00 1.11 5.08 -1.95 -1.77 114.58 117.73 1rdu h GLU 77 Ca 0.39 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1rdu h GLU 77 Cb 0.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1rdu h GLU 77 CO -0.34 0.32 -0.33 1.15 -1.00 0.00 0.00 179.01 178.81 1rdu h THR 78 N 0.13 0.28 0.47 1.13 2.02 -1.37 -2.98 112.91 112.59 1rdu h THR 78 Ca 0.03 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 1rdu h THR 78 Cb 0.39 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1rdu h THR 78 CO 0.03 0.16 -0.23 -0.07 0.37 0.00 0.00 175.52 175.78 1rdu h LEU 79 N 0.00 -0.54 -1.87 2.58 3.38 -0.11 -3.22 115.31 115.54 1rdu h LEU 79 Ca -0.01 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1rdu h LEU 79 Cb 1.14 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1rdu h LEU 79 CO 0.02 -0.11 0.16 0.07 0.09 0.00 0.00 178.44 178.67 1rdu h LYS 80 N -1.13 0.17 0.00 1.13 2.10 -1.66 0.08 116.57 117.27 1rdu h LYS 80 Ca -0.06 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1rdu h LYS 80 Cb 0.53 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1rdu h LYS 80 CO 0.11 0.11 0.00 0.00 -2.00 0.00 0.00 179.45 177.67 1rdu n ALA 81 N -2.54 1.29 -2.11 0.07 0.00 -1.13 -0.79 120.51 115.31 1rdu n ALA 81 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1rdu n ALA 81 Cb 0.18 -1.07 0.07 0.00 0.00 0.00 0.00 19.45 18.63 1rdu n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rdu n ALA 82 N -1.41 3.99 -1.29 0.00 0.00 -0.07 -4.98 120.51 116.75 1rdu n ALA 82 Ca 0.02 -3.34 -0.11 0.00 0.00 0.00 0.00 53.44 50.00 1rdu n ALA 82 Cb 0.05 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1rdu n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rdu n GLY 83 N -0.68 1.02 3.71 0.00 0.00 0.03 -4.91 105.19 104.36 1rdu n GLY 83 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1rdu n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rdu s VAL 84 N -1.88 4.75 0.74 1.61 1.01 -0.69 -4.89 120.40 121.05 1rdu s VAL 84 Ca 0.00 1.98 -0.12 0.00 0.00 0.00 0.00 61.98 63.84 1rdu s VAL 84 Cb 0.00 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.15 1rdu s VAL 84 CO 0.00 0.14 1.11 -0.54 0.00 0.00 0.00 175.10 175.81 1rdu s LYS 85 N 1.08 2.54 -0.22 2.72 1.02 -1.17 -4.26 119.74 121.44 1rdu s LYS 85 Ca 0.53 0.47 -0.04 0.00 0.02 0.00 0.00 55.97 56.95 1rdu s LYS 85 Cb -0.22 -1.98 0.12 0.00 -0.52 0.00 0.00 37.83 35.22 1rdu s LYS 85 CO 0.28 -1.27 0.40 0.08 -0.92 0.00 0.00 175.35 173.92 1rdu s VAL 86 N -3.32 -0.63 0.40 3.17 1.01 -1.26 -1.36 120.40 118.42 1rdu s VAL 86 Ca 0.59 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.56 1rdu s VAL 86 Cb -0.12 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1rdu s VAL 86 CO 0.52 -0.03 0.70 -0.31 0.00 0.00 0.00 175.10 175.98 1rdu s TYR 87 N 2.58 3.51 0.55 5.22 2.02 0.50 -0.38 117.35 131.36 1rdu s TYR 87 Ca 0.07 0.77 -0.15 0.00 -0.37 0.00 0.00 57.07 57.39 1rdu s TYR 87 Cb -0.14 -2.24 -0.07 0.00 -0.40 0.00 0.00 41.96 39.12 1rdu s TYR 87 CO -0.14 -0.08 1.00 0.50 -1.57 0.00 0.00 175.55 175.25 1rdu s ARG 88 N -4.20 3.82 0.30 -0.62 6.06 0.73 -0.21 118.95 124.83 1rdu s ARG 88 Ca 0.47 0.90 0.04 0.00 -2.50 0.00 0.00 55.73 54.64 1rdu s ARG 88 Cb -0.10 -2.12 -0.03 0.00 0.06 0.00 0.00 34.95 32.76 1rdu s ARG 88 CO 0.37 -0.38 0.20 -0.59 -2.50 0.00 0.00 175.30 172.40 1rdu s PHE 89 N -2.79 1.59 -0.26 5.12 -0.71 -1.26 -4.11 117.98 115.55 1rdu s PHE 89 Ca 0.58 -1.49 0.17 0.00 -1.04 0.00 0.00 56.93 55.15 1rdu s PHE 89 Cb -0.10 -0.76 0.43 0.00 -1.21 0.00 0.00 43.02 41.37 1rdu s PHE 89 CO 0.38 -0.68 1.31 -1.91 -1.34 0.00 0.00 175.22 172.98 1rdu n GLU 90 N -0.55 1.34 0.00 1.99 2.13 -1.26 -4.09 120.64 120.20 1rdu n GLU 90 Ca 0.03 -2.20 0.00 0.00 0.66 0.00 0.00 57.16 55.65 1rdu n GLU 90 Cb 0.64 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.91 1rdu n GLU 90 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rdu n GLY 91 N -0.93 3.62 0.00 8.31 0.00 -1.26 -5.18 105.19 109.75 1rdu n GLY 91 Ca -0.07 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1rdu n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rdu n GLY 92 N 0.00 2.75 3.92 -0.02 0.00 -1.26 -4.97 105.19 105.61 1rdu n GLY 92 Ca 0.00 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1rdu n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rdu s THR 93 N -2.00 2.08 0.29 2.61 -4.23 -1.26 -0.97 115.64 112.16 1rdu s THR 93 Ca 0.00 -0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.39 1rdu s THR 93 Cb 0.00 -2.98 0.40 0.00 1.34 0.00 0.00 72.50 71.27 1rdu s THR 93 CO 0.00 0.00 1.58 0.58 -0.54 0.00 0.00 174.62 176.24 1rdu h VAL 94 N -1.06 0.07 -0.46 2.29 2.07 -0.81 -0.76 116.25 117.59 1rdu h VAL 94 Ca -0.45 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1rdu h VAL 94 Cb 1.30 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1rdu h VAL 94 CO 0.57 0.00 0.19 -0.61 0.02 0.00 0.00 177.57 177.74 1rdu h GLN 95 N 0.02 0.65 -0.25 1.57 -0.00 -1.63 -2.92 115.11 112.56 1rdu h GLN 95 Ca 0.53 -0.09 -0.06 0.00 -0.00 0.00 0.00 58.65 59.04 1rdu h GLN 95 Cb 1.01 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.36 1rdu h GLN 95 CO -0.91 0.54 -0.09 0.93 0.00 0.00 0.00 178.83 179.30 1rdu h GLU 96 N 0.65 0.49 -1.17 1.69 4.39 -1.46 0.93 114.58 120.11 1rdu h GLU 96 Ca 0.16 -0.20 0.34 0.00 0.34 0.00 0.00 59.36 59.99 1rdu h GLU 96 Cb 0.12 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1rdu h GLU 96 CO -0.02 0.74 0.83 0.00 -1.16 0.00 0.00 179.01 179.40 1rdu h ALA 97 N 0.74 3.04 0.00 3.43 0.00 -1.29 0.11 119.26 125.28 1rdu h ALA 97 Ca 0.06 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1rdu h ALA 97 Cb 0.57 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1rdu h ALA 97 CO 0.03 -1.38 -1.26 -0.89 0.00 0.00 0.00 179.25 175.75 1rdu n ILE 98 N -4.22 1.51 -0.03 0.00 2.08 -0.66 -2.85 119.36 115.18 1rdu n ILE 98 Ca 0.25 -0.01 0.08 0.00 0.56 0.00 0.00 62.75 63.63 1rdu n ILE 98 Cb 1.21 -2.11 0.47 0.00 -0.75 0.00 0.00 39.64 38.46 1rdu n ILE 98 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1rdu h ASP 99 N -1.00 0.40 0.20 4.38 3.58 -0.61 0.46 116.42 123.82 1rdu h ASP 99 Ca -0.31 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 1rdu h ASP 99 Cb 1.16 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1rdu h ASP 99 CO -0.19 0.26 -0.10 0.00 -2.88 0.00 0.00 179.24 176.34 1rdu h ALA 100 N 1.73 -0.27 -0.54 -0.78 0.00 -0.94 -2.35 119.26 116.11 1rdu h ALA 100 Ca 0.21 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1rdu h ALA 100 Cb 0.26 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1rdu h ALA 100 CO -0.06 -0.39 0.27 0.35 0.00 0.00 0.00 179.25 179.42 1rdu h PHE 101 N -0.78 0.49 -0.57 0.00 3.04 -1.26 0.23 116.94 118.09 1rdu h PHE 101 Ca -0.03 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 1rdu h PHE 101 Cb 0.51 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 1rdu h PHE 101 CO 0.06 0.23 0.15 0.66 -2.02 0.00 0.00 178.31 177.39 1rdu h SER 102 N 0.52 0.86 -0.73 0.41 4.64 -0.10 -0.84 113.55 118.31 1rdu h SER 102 Ca 0.24 -0.23 -0.45 0.00 -0.47 0.00 0.00 61.79 60.89 1rdu h SER 102 Cb 0.16 -0.23 -0.22 0.00 -0.31 0.00 0.00 62.40 61.81 1rdu h SER 102 CO -0.17 0.86 0.57 -0.62 -0.87 0.00 0.00 176.83 176.60 1rdu n GLU 103 N -4.39 2.10 -0.79 4.77 1.02 -0.89 -4.89 120.64 117.57 1rdu n GLU 103 Ca 0.03 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 1rdu n GLU 103 Cb 0.23 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1rdu n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rdu n GLY 104 N -0.46 0.00 1.61 0.62 0.00 -0.32 -4.87 105.19 101.77 1rdu n GLY 104 Ca 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 1rdu n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rdu n ARG 105 N 0.26 1.44 -4.39 1.61 1.74 0.80 -4.84 116.66 113.28 1rdu n ARG 105 Ca 0.00 -0.91 -0.19 0.00 -0.77 0.00 0.00 57.85 55.98 1rdu n ARG 105 Cb 0.34 -1.36 -0.10 0.00 -1.02 0.00 0.00 32.46 30.32 1rdu n ARG 105 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rdu s LEU 106 N -1.04 1.91 -0.03 0.55 1.43 -1.25 -4.74 118.68 115.51 1rdu s LEU 106 Ca 0.18 -1.39 0.03 0.00 -1.03 0.00 0.00 54.13 51.91 1rdu s LEU 106 Cb 0.14 -0.18 -0.03 0.00 0.03 0.00 0.00 46.19 46.15 1rdu s LEU 106 CO 0.01 -0.68 -0.09 -1.61 0.23 0.00 0.00 176.35 174.21 1rdu s GLU 107 N -3.95 2.58 -0.56 1.70 0.41 -1.26 -4.97 118.70 112.64 1rdu s GLU 107 Ca 0.37 -0.68 -0.27 0.00 -0.41 0.00 0.00 54.97 53.98 1rdu s GLU 107 Cb 0.08 -2.49 0.03 0.00 -1.78 0.00 0.00 34.13 29.98 1rdu s GLU 107 CO 0.15 0.62 1.13 -2.00 -0.49 0.00 0.00 175.26 174.67 1rdu s GLU 108 N -1.09 3.51 -0.81 1.61 2.12 -1.26 -0.19 118.70 122.58 1rdu s GLU 108 Ca 0.14 0.19 -0.06 0.00 0.36 0.00 0.00 54.97 55.60 1rdu s GLU 108 Cb -0.11 -4.01 -0.05 0.00 0.26 0.00 0.00 34.13 30.22 1rdu s GLU 108 CO 0.04 -1.60 2.97 -0.11 -0.54 0.00 0.00 175.26 176.02 1rdu n LEU 109 N 8.15 7.06 -1.72 2.70 7.94 0.49 -4.76 117.00 136.87 1rdu n LEU 109 Ca 0.08 -4.09 -0.13 0.00 -1.11 0.00 0.00 56.01 50.76 1rdu n LEU 109 Cb 0.49 -1.39 0.05 0.00 0.53 0.00 0.00 43.42 43.10 1rdu n LEU 109 CO 0.70 1.88 1.05 1.07 -1.11 0.00 0.00 177.39 180.98 1rdu n THR 110 N 2.17 2.38 0.00 1.96 5.66 -1.25 -4.50 114.28 120.70 1rdu n THR 110 Ca 0.58 -1.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.34 1rdu n THR 110 Cb 0.50 -1.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 1rdu n THR 110 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1rdu n THR 111 N 0.20 0.00 -3.91 1.09 5.66 -1.26 -5.10 114.28 110.95 1rdu n THR 111 Ca 0.26 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.18 1rdu n THR 111 Cb 0.75 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.50 1rdu n THR 111 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1rdu s PHE 112 N 0.00 0.03 0.25 1.09 -0.71 -1.26 -5.20 117.98 112.18 1rdu s PHE 112 Ca 0.00 -0.46 -0.18 0.00 -1.04 0.00 0.00 56.93 55.25 1rdu s PHE 112 Cb 0.00 0.52 0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1rdu s PHE 112 CO 0.00 -1.16 0.60 0.95 -1.34 0.00 0.00 175.22 174.28 1rdu s THR 113 N -3.90 0.00 0.25 -4.49 -4.23 -1.26 -5.04 115.64 96.97 1rdu s THR 113 Ca 0.15 -1.05 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 1rdu s THR 113 Cb -0.04 -1.95 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 1rdu s THR 113 CO 0.08 -0.02 0.34 -0.60 -0.54 0.00 0.00 174.62 173.88 1rdu s ARG 114 N -3.94 1.49 -0.36 3.99 6.06 -1.26 -4.84 118.95 120.09 1rdu s ARG 114 Ca 0.14 -1.52 0.13 0.00 -2.50 0.00 0.00 55.73 51.98 1rdu s ARG 114 Cb -0.03 0.38 0.42 0.00 0.06 0.00 0.00 34.95 35.78 1rdu s ARG 114 CO 0.05 -0.57 1.29 -0.85 -2.50 0.00 0.00 175.30 172.72 1rdu n GLU 115 N -0.38 1.26 0.00 5.12 0.28 -1.26 -4.68 120.64 120.98 1rdu n GLU 115 Ca 0.01 -2.13 0.09 0.00 -0.16 0.00 0.00 57.16 54.97 1rdu n GLU 115 Cb 0.63 -0.32 0.07 0.00 1.43 0.00 0.00 31.44 33.26 1rdu n GLU 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38