#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rdu n ALA 2 N 0.00 -0.63 -2.67 3.04 0.00 -1.26 -5.04 120.51 113.94 1rdu n ALA 2 Ca 0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 1rdu n ALA 2 Cb 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 1rdu n ALA 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rdu s ARG 3 N -2.01 4.12 0.12 0.00 0.52 -1.26 -2.46 118.95 117.99 1rdu s ARG 3 Ca 0.05 -0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.17 1rdu s ARG 3 Cb -0.01 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.89 1rdu s ARG 3 CO 0.02 0.05 0.31 0.54 0.02 0.00 0.00 175.30 176.24 1rdu s VAL 4 N 1.08 5.26 -0.06 3.52 0.11 -0.87 -1.77 120.40 127.67 1rdu s VAL 4 Ca 0.12 -0.23 0.04 0.00 -2.93 0.00 0.00 61.98 58.99 1rdu s VAL 4 Cb -0.14 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 1rdu s VAL 4 CO 0.05 0.03 -0.19 0.00 -3.33 0.00 0.00 175.10 171.67 1rdu s ALA 5 N -1.64 2.44 -0.17 1.54 0.00 -0.79 -1.85 121.76 121.29 1rdu s ALA 5 Ca 0.38 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1rdu s ALA 5 Cb -0.12 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1rdu s ALA 5 CO 0.27 0.46 -0.15 0.42 0.00 0.00 0.00 175.76 176.76 1rdu s ILE 6 N -0.35 1.76 -0.23 0.00 1.09 0.36 -1.90 121.20 121.93 1rdu s ILE 6 Ca 0.03 -0.85 -0.29 0.00 -1.10 0.00 0.00 60.65 58.43 1rdu s ILE 6 Cb -0.12 -1.68 -0.02 0.00 -1.06 0.00 0.00 42.46 39.58 1rdu s ILE 6 CO 0.02 0.39 1.54 -2.16 -0.10 0.00 0.00 174.94 174.64 1rdu s PRO 7 N 1.39 3.85 0.15 2.79 0.04 -1.26 -1.42 135.00 140.55 1rdu s PRO 7 Ca 0.03 1.60 0.10 0.00 0.04 0.00 0.00 61.00 62.77 1rdu s PRO 7 Cb -0.14 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 1rdu s PRO 7 CO -0.11 -1.22 -0.21 0.45 0.04 0.00 0.00 177.00 175.96 1rdu s SER 8 N 3.82 3.65 -0.55 6.66 0.15 0.04 -0.80 113.70 126.66 1rdu s SER 8 Ca 0.68 -0.71 0.01 0.00 0.70 0.00 0.00 55.95 56.63 1rdu s SER 8 Cb -0.23 -0.39 0.44 0.00 -1.71 0.00 0.00 66.02 64.12 1rdu s SER 8 CO 0.27 0.15 1.72 1.33 1.20 0.00 0.00 173.24 177.91 1rdu n VAL 9 N 0.56 3.21 -3.90 4.45 0.24 0.07 -1.16 118.33 121.81 1rdu n VAL 9 Ca -0.15 -3.59 0.04 0.00 -2.04 0.00 0.00 64.34 58.61 1rdu n VAL 9 Cb 0.54 -1.17 0.01 0.00 -1.47 0.00 0.00 33.84 31.75 1rdu n VAL 9 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rdu s GLY 10 N -2.42 -0.29 -0.55 7.63 0.00 -1.26 -4.69 107.32 105.74 1rdu s GLY 10 Ca 0.58 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.73 1rdu s GLY 10 CO -0.04 4.86 0.99 0.58 0.00 0.00 0.00 173.10 179.49 1rdu n LYS 11 N -0.84 3.30 -3.80 2.90 2.85 -1.26 -4.78 118.16 116.53 1rdu n LYS 11 Ca 0.02 -4.79 -0.11 0.00 -1.05 0.00 0.00 58.31 52.38 1rdu n LYS 11 Cb 0.60 -2.24 -0.08 0.00 -0.65 0.00 0.00 35.03 32.65 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 -3.48 -0.05 0.00 -5.58 1.01 -1.26 -4.99 116.67 102.32 1rdu s ASP 12 Ca 0.49 -0.25 0.17 0.00 0.71 0.00 0.00 52.55 53.67 1rdu s ASP 12 Cb 0.31 0.31 0.85 0.00 1.01 0.00 0.00 42.92 45.40 1rdu s ASP 12 CO -0.15 -0.56 1.51 -0.11 0.21 0.00 0.00 175.17 176.06 1rdu n LEU 13 N 0.73 0.00 -1.79 1.23 -0.00 -1.26 -1.33 117.00 114.58 1rdu n LEU 13 Ca -0.19 0.31 -0.13 0.00 -0.00 0.00 0.00 56.01 55.99 1rdu n LEU 13 Cb 0.59 -0.31 0.07 0.00 -0.00 0.00 0.00 43.42 43.76 1rdu n LEU 13 CO 0.22 -0.13 0.19 -1.54 -0.00 0.00 0.00 177.39 176.12 1rdu n SER 14 N -1.31 3.62 -4.72 1.96 3.41 -1.26 -1.79 113.62 113.53 1rdu n SER 14 Ca 0.08 -3.48 -0.28 0.00 -0.26 0.00 0.00 58.87 54.92 1rdu n SER 14 Cb 0.14 -0.40 0.11 0.00 -0.26 0.00 0.00 64.21 63.80 1rdu n SER 14 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rdu s SER 15 N -3.48 4.26 0.17 4.04 0.01 -0.44 -4.80 113.70 113.46 1rdu s SER 15 Ca 0.44 0.51 -0.30 0.00 1.31 0.00 0.00 55.95 57.91 1rdu s SER 15 Cb 0.39 -0.94 -0.07 0.00 0.21 0.00 0.00 66.02 65.61 1rdu s SER 15 CO -0.00 -2.01 0.98 -0.04 0.41 0.00 0.00 173.24 172.58 1rdu s MET 16 N -5.53 4.73 0.72 12.44 -1.94 -1.26 -0.08 119.30 128.36 1rdu s MET 16 Ca 0.64 1.52 -0.11 0.00 -1.71 0.00 0.00 55.69 56.03 1rdu s MET 16 Cb -0.09 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.45 1rdu s MET 16 CO 0.48 0.28 1.08 0.08 -0.01 0.00 0.00 175.02 176.93 1rdu s VAL 17 N -0.43 3.65 0.11 -6.03 1.01 -0.83 -0.75 120.40 117.13 1rdu s VAL 17 Ca 0.45 0.58 0.09 0.00 0.00 0.00 0.00 61.98 63.10 1rdu s VAL 17 Cb -0.25 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1rdu s VAL 17 CO 0.32 -0.66 -0.17 -0.55 0.00 0.00 0.00 175.10 174.04 1rdu s SER 18 N -3.43 3.97 -0.16 3.32 0.15 0.02 -4.74 113.70 112.83 1rdu s SER 18 Ca 0.61 -0.53 -0.00 0.00 0.70 0.00 0.00 55.95 56.73 1rdu s SER 18 Cb -0.16 -0.60 0.13 0.00 -1.71 0.00 0.00 66.02 63.69 1rdu s SER 18 CO 0.53 0.18 1.84 -0.67 1.20 0.00 0.00 173.24 176.32 1rdu n ASP 19 N 0.79 5.37 -3.15 5.45 2.03 -1.26 -4.64 116.55 121.14 1rdu n ASP 19 Ca -0.15 -2.70 0.06 0.00 0.52 0.00 0.00 54.79 52.52 1rdu n ASP 19 Cb 0.53 -0.98 -0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1rdu n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rdu s ARG 20 N -0.98 0.09 0.07 -0.67 1.70 -1.23 -3.90 118.95 114.03 1rdu s ARG 20 Ca 0.17 0.10 -0.28 0.00 -0.47 0.00 0.00 55.73 55.26 1rdu s ARG 20 Cb 0.13 0.05 -0.13 0.00 -0.57 0.00 0.00 34.95 34.44 1rdu s ARG 20 CO 0.00 -0.16 1.43 0.35 -1.08 0.00 0.00 175.30 175.85 1rdu h PHE 21 N 7.32 -1.14 0.00 5.89 3.57 -1.11 -3.17 116.94 128.29 1rdu h PHE 21 Ca -0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1rdu h PHE 21 Cb 1.17 0.46 0.00 0.00 2.79 0.00 0.00 35.95 40.38 1rdu h PHE 21 CO -0.14 -0.50 0.00 0.00 -2.23 0.00 0.00 178.31 175.44 1rdu n ALA 22 N -2.75 2.20 -1.94 2.41 0.00 -1.26 -2.60 120.51 116.58 1rdu n ALA 22 Ca -0.08 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 1rdu n ALA 22 Cb 0.34 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.17 3.36 -3.88 0.00 1.74 -1.20 -4.75 116.66 110.76 1rdu n ARG 23 Ca 0.13 -4.03 -0.36 0.00 -0.77 0.00 0.00 57.85 52.82 1rdu n ARG 23 Cb 0.13 -2.21 -0.14 0.00 -1.02 0.00 0.00 32.46 29.22 1rdu n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rdu s ALA 24 N -3.57 2.85 0.20 7.54 0.00 -1.07 -4.94 121.76 122.77 1rdu s ALA 24 Ca 0.51 -1.44 0.26 0.00 0.00 0.00 0.00 51.96 51.28 1rdu s ALA 24 Cb 0.41 -1.87 1.08 0.00 0.00 0.00 0.00 23.12 22.75 1rdu s ALA 24 CO 0.03 -0.84 1.89 0.93 0.00 0.00 0.00 175.76 177.78 1rdu h GLU 25 N 8.10 0.00 -4.38 0.00 5.08 -1.70 -3.41 114.58 118.27 1rdu h GLU 25 Ca -0.33 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.85 1rdu h GLU 25 Cb 1.12 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.20 1rdu h GLU 25 CO 0.59 0.19 -0.70 0.71 -1.00 0.00 0.00 179.01 178.80 1rdu s TYR 26 N -3.77 0.62 -0.18 4.33 2.02 -0.31 -0.55 117.35 119.51 1rdu s TYR 26 Ca -0.00 -0.85 -0.02 0.00 -0.37 0.00 0.00 57.07 55.83 1rdu s TYR 26 Cb 0.11 -0.40 0.05 0.00 -0.40 0.00 0.00 41.96 41.32 1rdu s TYR 26 CO 0.62 -0.23 -0.00 -0.06 -1.57 0.00 0.00 175.55 174.30 1rdu s PHE 27 N -3.05 1.32 -0.22 2.71 0.08 0.19 -0.78 117.98 118.22 1rdu s PHE 27 Ca 0.02 -0.93 -0.29 0.00 0.12 0.00 0.00 56.93 55.85 1rdu s PHE 27 Cb 0.02 -1.14 0.01 0.00 -0.57 0.00 0.00 43.02 41.34 1rdu s PHE 27 CO -0.05 -0.59 1.05 0.42 -0.10 0.00 0.00 175.22 175.94 1rdu s ILE 28 N 1.76 4.66 -0.27 0.64 -1.09 -0.51 -0.34 121.20 126.05 1rdu s ILE 28 Ca -0.00 2.01 -0.06 0.00 -2.23 0.00 0.00 60.65 60.36 1rdu s ILE 28 Cb -0.16 -4.30 -0.00 0.00 -1.58 0.00 0.00 42.46 36.42 1rdu s ILE 28 CO -0.07 -0.17 0.06 -0.63 -1.23 0.00 0.00 174.94 172.89 1rdu s ILE 29 N 3.17 3.95 -0.22 2.92 1.01 -0.81 -0.49 121.20 130.74 1rdu s ILE 29 Ca 0.45 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 1rdu s ILE 29 Cb -0.15 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1rdu s ILE 29 CO 0.07 0.21 0.10 -0.47 0.00 0.00 0.00 174.94 174.84 1rdu s TYR 30 N 1.53 3.23 -0.35 3.97 5.04 -0.77 -1.19 117.35 128.81 1rdu s TYR 30 Ca 0.04 0.02 -0.20 0.00 -2.44 0.00 0.00 57.07 54.48 1rdu s TYR 30 Cb -0.16 -2.18 0.00 0.00 0.35 0.00 0.00 41.96 39.97 1rdu s TYR 30 CO 0.02 0.01 0.63 -0.51 -1.34 0.00 0.00 175.55 174.36 1rdu s ASP 31 N 0.89 6.43 0.00 4.32 1.11 -0.19 -2.06 116.67 127.17 1rdu s ASP 31 Ca 0.05 0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.96 1rdu s ASP 31 Cb -0.13 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1rdu s ASP 31 CO 0.03 -0.58 0.55 0.35 1.18 0.00 0.00 175.17 176.70 1rdu n THR 32 N 5.56 0.30 -0.32 -1.27 -2.24 -1.03 -2.67 114.28 112.62 1rdu n THR 32 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1rdu n THR 32 Cb 0.49 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.29 0.79 -2.18 -0.78 2.13 -1.26 -4.74 120.64 114.89 1rdu n GLU 33 Ca 0.00 -0.04 -0.02 0.00 0.66 0.00 0.00 57.16 57.76 1rdu n GLU 33 Cb 0.27 -0.30 0.05 0.00 0.27 0.00 0.00 31.44 31.73 1rdu n GLU 33 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1rdu n SER 34 N -0.12 -0.40 -2.80 4.31 2.88 -1.21 -4.98 113.62 111.29 1rdu n SER 34 Ca 0.00 -2.10 -0.15 0.00 -1.33 0.00 0.00 58.87 55.30 1rdu n SER 34 Cb 0.08 0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 1rdu n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rdu n GLY 35 N -0.74 -0.34 3.88 0.46 0.00 -1.09 -4.90 105.19 102.47 1rdu n GLY 35 Ca -0.12 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1rdu n GLY 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rdu s ASN 36 N -2.03 6.50 -0.04 1.61 3.84 -1.12 -4.88 114.94 118.82 1rdu s ASN 36 Ca 0.28 0.99 -0.03 0.00 0.21 0.00 0.00 52.86 54.32 1rdu s ASN 36 Cb -0.17 -2.26 0.02 0.00 -0.55 0.00 0.00 41.25 38.29 1rdu s ASN 36 CO 0.35 -0.33 0.10 -0.69 -2.79 0.00 0.00 177.10 173.74 1rdu s VAL 37 N -2.26 -0.01 0.17 -5.21 1.01 -1.26 -1.03 120.40 111.80 1rdu s VAL 37 Ca 0.49 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.59 1rdu s VAL 37 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1rdu s VAL 37 CO 0.31 0.02 0.02 -0.70 0.00 0.00 0.00 175.10 174.75 1rdu s GLU 38 N 0.34 2.49 -0.34 2.72 2.56 -0.33 -4.97 118.70 121.18 1rdu s GLU 38 Ca -0.02 -1.05 -0.09 0.00 0.00 0.00 0.00 54.97 53.81 1rdu s GLU 38 Cb -0.04 -2.42 0.02 0.00 2.00 0.00 0.00 34.13 33.70 1rdu s GLU 38 CO -0.01 0.47 0.15 0.08 -0.56 0.00 0.00 175.26 175.38 1rdu s VAL 39 N -1.70 4.28 0.18 3.70 1.01 -1.26 -1.92 120.40 124.68 1rdu s VAL 39 Ca 0.28 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1rdu s VAL 39 Cb -0.10 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 1rdu s VAL 39 CO 0.19 -0.11 0.95 -0.69 0.00 0.00 0.00 175.10 175.44 1rdu s VAL 40 N 1.52 4.28 -0.05 2.92 1.01 0.54 -4.95 120.40 125.66 1rdu s VAL 40 Ca 0.02 2.08 -0.16 0.00 0.00 0.00 0.00 61.98 63.92 1rdu s VAL 40 Cb -0.18 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 1rdu s VAL 40 CO 0.05 0.41 0.42 -0.70 0.00 0.00 0.00 175.10 175.29 1rdu s GLU 41 N -0.63 4.10 -0.34 2.72 2.12 -1.26 -0.64 118.70 124.77 1rdu s GLU 41 Ca 0.44 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 56.16 1rdu s GLU 41 Cb -0.25 -3.31 0.12 0.00 0.26 0.00 0.00 34.13 30.95 1rdu s GLU 41 CO 0.31 0.47 0.17 1.21 -0.54 0.00 0.00 175.26 176.88 1rdu s ASN 42 N -0.37 3.51 -1.19 -1.70 2.47 0.29 -4.90 114.94 113.05 1rdu s ASN 42 Ca 0.24 -1.90 -0.11 0.00 0.42 0.00 0.00 52.86 51.51 1rdu s ASN 42 Cb -0.16 -0.62 0.21 0.00 -1.45 0.00 0.00 41.25 39.23 1rdu s ASN 42 CO 0.12 -0.36 1.45 0.35 -3.72 0.00 0.00 177.10 174.94 1rdu n THR 43 N 4.46 4.48 -1.84 -5.21 -2.24 -1.26 -4.13 114.28 108.54 1rdu n THR 43 Ca 0.03 -4.96 -0.30 0.00 -2.27 0.00 0.00 64.05 56.55 1rdu n THR 43 Cb 0.39 -2.43 0.04 0.00 -2.10 0.00 0.00 70.33 66.23 1rdu n THR 43 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1rdu s ILE 44 N 0.13 3.77 -0.04 2.28 -0.00 -1.26 -5.08 121.20 121.00 1rdu s ILE 44 Ca 0.38 0.57 0.02 0.00 -0.00 0.00 0.00 60.65 61.62 1rdu s ILE 44 Cb -0.01 -3.54 0.01 0.00 -0.00 0.00 0.00 42.46 38.92 1rdu s ILE 44 CO -0.00 -0.75 -0.09 0.00 -0.00 0.00 0.00 174.94 174.10 1rdu s ALA 45 N -3.29 0.92 -1.32 2.27 0.00 -1.26 -5.02 121.76 114.06 1rdu s ALA 45 Ca 0.58 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 1rdu s ALA 45 Cb -0.11 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.66 1rdu s ALA 45 CO 0.53 0.11 1.88 -3.47 0.00 0.00 0.00 175.76 174.80 1rdu n ASP 46 N 3.56 4.50 -3.36 0.00 -0.08 -1.26 -4.64 116.55 115.26 1rdu n ASP 46 Ca -0.21 -2.88 0.02 0.00 -1.51 0.00 0.00 54.79 50.21 1rdu n ASP 46 Cb 0.53 -1.71 -0.03 0.00 2.34 0.00 0.00 41.12 42.25 1rdu n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rdu s ALA 47 N 4.46 -2.39 0.00 -1.67 0.00 -1.26 -5.03 121.76 115.87 1rdu s ALA 47 Ca 0.53 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.49 1rdu s ALA 47 Cb 0.06 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1rdu s ALA 47 CO 0.04 -1.15 0.00 0.72 0.00 0.00 0.00 175.76 175.37 1rdu n HIS 48 N 5.38 0.00 -2.65 0.00 8.25 -1.26 -4.82 115.22 120.11 1rdu n HIS 48 Ca -0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.35 1rdu n HIS 48 Cb 0.51 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.62 1rdu n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rdu n GLY 49 N 0.00 -2.15 0.01 -1.41 0.00 -1.26 -4.90 105.19 95.48 1rdu n GLY 49 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 46.02 46.97 1rdu n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rdu n THR 50 N -0.03 1.05 -3.63 2.61 -2.24 -1.26 -4.87 114.28 105.91 1rdu n THR 50 Ca 0.07 0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 62.11 1rdu n THR 50 Cb 0.28 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 67.48 1rdu n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rdu n GLY 51 N -0.10 0.98 0.14 3.38 0.00 -1.26 -5.07 105.19 103.27 1rdu n GLY 51 Ca 0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 0.28 0.00 1.61 0.13 -1.99 -3.47 132.00 128.55 1rdu h PRO 52 Ca -0.09 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1rdu h PRO 52 Cb 0.40 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1rdu h PRO 52 CO 0.12 0.99 0.00 1.63 -0.23 0.00 0.00 178.00 180.51 1rdu n LYS 53 N -3.71 0.00 -0.11 0.86 4.01 -1.26 -3.75 118.16 114.20 1rdu n LYS 53 Ca -0.05 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.68 1rdu n LYS 53 Cb 0.80 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 35.30 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 0.24 0.20 -0.18 3.04 -1.94 -1.47 116.25 116.14 1rdu h VAL 54 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1rdu h VAL 54 Cb 0.00 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 29.52 1rdu h VAL 54 CO 0.00 0.00 -0.09 0.58 -1.01 0.00 0.00 177.57 177.05 1rdu h VAL 55 N -0.26 0.90 -0.77 1.51 2.07 -1.97 0.32 116.25 118.04 1rdu h VAL 55 Ca 0.17 -0.63 0.17 0.00 0.82 0.00 0.00 66.70 67.23 1rdu h VAL 55 Cb 0.54 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1rdu h VAL 55 CO -0.52 0.14 0.52 1.56 0.02 0.00 0.00 177.57 179.29 1rdu h GLN 56 N -0.58 0.30 0.16 1.57 1.08 -1.79 -1.18 115.11 114.66 1rdu h GLN 56 Ca -0.03 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1rdu h GLN 56 Cb 0.43 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1rdu h GLN 56 CO 0.04 0.20 -0.08 0.77 -0.95 0.00 0.00 178.83 178.82 1rdu h SER 57 N 0.31 -0.18 -0.88 1.46 0.02 -0.95 -3.31 113.55 110.02 1rdu h SER 57 Ca 0.38 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.36 1rdu h SER 57 Cb 1.04 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 1rdu h SER 57 CO -0.10 -0.08 0.58 -0.07 -1.14 0.00 0.00 176.83 176.02 1rdu h LEU 58 N -0.31 0.97 -1.35 5.07 3.38 -0.31 0.12 115.31 122.87 1rdu h LEU 58 Ca -0.02 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1rdu h LEU 58 Cb 0.16 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1rdu h LEU 58 CO 0.04 0.69 0.55 0.58 0.09 0.00 0.00 178.44 180.38 1rdu h VAL 59 N 1.14 0.86 0.00 1.22 2.07 -1.43 0.29 116.25 120.40 1rdu h VAL 59 Ca 0.34 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1rdu h VAL 59 Cb -0.05 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1rdu h VAL 59 CO -0.09 0.12 0.00 -0.24 0.02 0.00 0.00 177.57 177.38 1rdu n SER 60 N -4.53 0.47 -1.99 0.57 2.88 0.03 -1.88 113.62 109.17 1rdu n SER 60 Ca 0.16 0.64 -0.24 0.00 -1.33 0.00 0.00 58.87 58.09 1rdu n SER 60 Cb 0.43 -0.73 0.09 0.00 -0.75 0.00 0.00 64.21 63.26 1rdu n SER 60 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1rdu n LYS 61 N -2.04 2.77 -2.11 -1.46 4.01 0.08 -4.95 118.16 114.46 1rdu n LYS 61 Ca 0.02 -3.53 -0.16 0.00 -0.51 0.00 0.00 58.31 54.13 1rdu n LYS 61 Cb 0.17 -2.18 -0.03 0.00 -0.51 0.00 0.00 35.03 32.48 1rdu n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rdu n GLY 62 N -0.92 0.14 3.55 0.72 0.00 -0.79 -4.87 105.19 103.03 1rdu n GLY 62 Ca 0.51 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.63 3.51 -0.49 1.61 1.01 -1.18 -3.99 120.40 118.24 1rdu s VAL 63 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1rdu s VAL 63 Cb 0.00 -4.28 0.53 0.00 0.00 0.00 0.00 36.38 32.63 1rdu s VAL 63 CO 0.00 -1.23 1.80 -0.62 0.00 0.00 0.00 175.10 175.05 1rdu n GLU 64 N 9.14 2.52 -3.61 2.72 1.02 -0.73 -4.70 120.64 127.00 1rdu n GLU 64 Ca 0.21 -3.30 -0.05 0.00 -0.02 0.00 0.00 57.16 54.00 1rdu n GLU 64 Cb 0.50 -2.18 -0.04 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 -3.54 -0.17 0.05 -0.32 1.51 -1.11 -1.35 117.35 112.42 1rdu s TYR 65 Ca 0.57 0.27 -0.26 0.00 -1.01 0.00 0.00 57.07 56.64 1rdu s TYR 65 Cb 0.47 0.48 0.07 0.00 -0.11 0.00 0.00 41.96 42.87 1rdu s TYR 65 CO 0.03 -0.17 0.62 -1.17 -1.11 0.00 0.00 175.55 173.75 1rdu s LEU 66 N -1.22 -0.51 -0.28 -1.29 2.96 -0.40 -1.88 118.68 116.05 1rdu s LEU 66 Ca 0.05 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1rdu s LEU 66 Cb -0.01 2.48 0.08 0.00 0.50 0.00 0.00 46.19 49.25 1rdu s LEU 66 CO -0.04 -0.77 0.03 -0.63 -1.32 0.00 0.00 176.35 173.62 1rdu s ILE 67 N -2.39 1.42 -0.30 6.68 1.01 -0.80 -0.31 121.20 126.52 1rdu s ILE 67 Ca -0.05 -1.52 -0.01 0.00 0.00 0.00 0.00 60.65 59.06 1rdu s ILE 67 Cb -0.01 -1.92 0.19 0.00 0.01 0.00 0.00 42.46 40.73 1rdu s ILE 67 CO -0.01 -0.43 0.70 0.00 0.00 0.00 0.00 174.94 175.20 1rdu s ALA 68 N 1.38 -2.64 -0.46 9.38 0.00 0.75 -4.08 121.76 126.10 1rdu s ALA 68 Ca 0.04 1.49 0.17 0.00 0.00 0.00 0.00 51.96 53.65 1rdu s ALA 68 Cb -0.18 -2.40 0.85 0.00 0.00 0.00 0.00 23.12 21.39 1rdu s ALA 68 CO -0.13 -1.58 1.51 0.43 0.00 0.00 0.00 175.76 175.98 1rdu n SER 69 N 5.40 0.42 -2.46 0.00 7.64 -1.25 -4.48 113.62 118.90 1rdu n SER 69 Ca 0.01 0.68 -0.09 0.00 1.01 0.00 0.00 58.87 60.48 1rdu n SER 69 Cb 0.53 -0.74 0.01 0.00 -1.01 0.00 0.00 64.21 63.00 1rdu n SER 69 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1rdu n ASN 70 N -2.05 -1.57 -4.30 6.43 3.02 -1.25 -4.89 115.26 110.65 1rdu n ASN 70 Ca -0.00 -2.33 -0.16 0.00 -0.03 0.00 0.00 54.58 52.06 1rdu n ASN 70 Cb 0.06 2.69 -0.10 0.00 -0.61 0.00 0.00 39.78 41.82 1rdu n ASN 70 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rdu s VAL 71 N -2.44 0.80 0.10 2.41 0.11 -1.26 -0.59 120.40 119.54 1rdu s VAL 71 Ca 0.16 -2.01 -0.24 0.00 -2.93 0.00 0.00 61.98 56.97 1rdu s VAL 71 Cb -0.03 -2.33 -0.11 0.00 -1.53 0.00 0.00 36.38 32.38 1rdu s VAL 71 CO 0.12 -0.31 1.71 1.23 -3.33 0.00 0.00 175.10 174.52 1rdu h GLY 72 N 2.53 -0.11 0.00 6.54 0.00 -1.86 -3.44 103.07 106.73 1rdu h GLY 72 Ca -0.38 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1rdu h GLY 72 CO 0.63 -0.08 0.00 0.54 0.00 0.00 0.00 176.54 177.63 1rdu n ARG 73 N -5.19 0.00 -1.86 4.80 1.74 -1.26 -5.02 116.66 109.87 1rdu n ARG 73 Ca -0.06 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.61 1rdu n ARG 73 Cb 0.12 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.55 1rdu n ARG 73 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1rdu s ASN 74 N -4.00 6.43 0.00 0.55 -0.87 -1.26 -4.32 114.94 111.47 1rdu s ASN 74 Ca 0.00 2.97 0.00 0.00 -1.57 0.00 0.00 52.86 54.26 1rdu s ASN 74 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 1rdu s ASN 74 CO 0.00 -0.81 0.00 0.00 -2.57 0.00 0.00 177.10 173.72 1rdu n ALA 75 N 0.76 0.00 -0.29 0.60 0.00 -1.26 -4.79 120.51 115.53 1rdu n ALA 75 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1rdu n ALA 75 Cb 0.39 0.00 0.21 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 0.78 -0.23 0.00 3.57 -2.00 -0.05 116.94 119.01 1rdu h PHE 76 Ca 0.00 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 1rdu h PHE 76 Cb 0.00 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1rdu h PHE 76 CO 0.00 0.21 -0.40 0.93 -2.23 0.00 0.00 178.31 176.82 1rdu h GLU 77 N 0.65 0.55 0.00 1.11 5.08 -1.95 -2.63 114.58 117.39 1rdu h GLU 77 Ca 0.45 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1rdu h GLU 77 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1rdu h GLU 77 CO -0.34 0.86 -0.18 1.15 -1.00 0.00 0.00 179.01 179.50 1rdu h THR 78 N 0.45 0.36 0.33 1.13 2.02 -1.51 -2.14 112.91 113.56 1rdu h THR 78 Ca 0.04 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 1rdu h THR 78 Cb 0.90 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1rdu h THR 78 CO 0.08 0.17 -0.16 -0.07 0.37 0.00 0.00 175.52 175.91 1rdu h LEU 79 N 0.00 -0.38 -2.01 2.58 3.38 -0.73 -3.28 115.31 114.87 1rdu h LEU 79 Ca -0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rdu h LEU 79 Cb 0.89 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1rdu h LEU 79 CO 0.02 -0.14 -0.01 0.07 0.09 0.00 0.00 178.44 178.47 1rdu h LYS 80 N -0.71 0.00 -1.01 1.13 2.10 -1.58 -0.24 116.57 116.27 1rdu h LYS 80 Ca -0.05 0.00 0.26 0.00 -2.00 0.00 0.00 60.65 58.86 1rdu h LYS 80 Cb 0.34 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.55 1rdu h LYS 80 CO 0.08 0.01 0.60 0.00 -2.00 0.00 0.00 179.45 178.13 1rdu h ALA 81 N 1.99 1.83 -0.80 0.07 0.00 -1.48 0.02 119.26 120.91 1rdu h ALA 81 Ca -0.00 0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 1rdu h ALA 81 Cb 0.01 0.04 -0.30 0.00 0.00 0.00 0.00 17.79 17.54 1rdu h ALA 81 CO 0.00 -0.33 0.15 0.00 0.00 0.00 0.00 179.25 179.07 1rdu n ALA 82 N -2.31 5.49 -2.55 0.00 0.00 -0.19 -4.95 120.51 116.00 1rdu n ALA 82 Ca 0.28 -3.46 -0.06 0.00 0.00 0.00 0.00 53.44 50.20 1rdu n ALA 82 Cb 0.79 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.92 -0.50 3.69 0.00 0.00 -0.01 -4.90 105.19 102.56 1rdu n GLY 83 Ca 0.51 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.26 4.74 0.63 1.61 1.01 -0.69 -4.81 120.40 120.63 1rdu s VAL 84 Ca 0.03 2.00 -0.11 0.00 0.00 0.00 0.00 61.98 63.90 1rdu s VAL 84 Cb -0.02 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1rdu s VAL 84 CO 0.04 0.04 1.03 -0.75 0.00 0.00 0.00 175.10 175.46 1rdu s LYS 85 N 1.78 3.50 -0.11 2.72 2.20 -0.45 -4.33 119.74 125.06 1rdu s LYS 85 Ca 0.50 0.79 -0.07 0.00 -0.36 0.00 0.00 55.97 56.82 1rdu s LYS 85 Cb -0.20 -2.07 0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1rdu s LYS 85 CO 0.21 -0.65 0.27 0.08 -0.36 0.00 0.00 175.35 174.90 1rdu s VAL 86 N -3.15 -0.02 0.31 4.02 1.01 -1.26 -1.28 120.40 120.03 1rdu s VAL 86 Ca 0.56 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.72 1rdu s VAL 86 Cb -0.11 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1rdu s VAL 86 CO 0.54 0.04 -0.05 -0.31 0.00 0.00 0.00 175.10 175.32 1rdu s TYR 87 N 0.88 2.51 0.50 5.22 1.51 0.57 -0.63 117.35 127.91 1rdu s TYR 87 Ca -0.06 -0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 55.44 1rdu s TYR 87 Cb -0.07 -1.31 -0.08 0.00 -0.11 0.00 0.00 41.96 40.38 1rdu s TYR 87 CO -0.06 0.57 0.98 0.50 -1.11 0.00 0.00 175.55 176.43 1rdu s ARG 88 N -3.65 3.99 -0.12 -0.62 6.06 0.72 -0.18 118.95 125.14 1rdu s ARG 88 Ca 0.33 1.01 -0.06 0.00 -2.50 0.00 0.00 55.73 54.50 1rdu s ARG 88 Cb -0.02 -2.14 0.05 0.00 0.06 0.00 0.00 34.95 32.90 1rdu s ARG 88 CO 0.18 -0.24 0.29 0.12 -2.50 0.00 0.00 175.30 173.15 1rdu s PHE 89 N -2.51 -0.41 -0.27 5.12 5.36 -1.26 -4.25 117.98 119.76 1rdu s PHE 89 Ca 0.60 0.93 0.13 0.00 -0.96 0.00 0.00 56.93 57.62 1rdu s PHE 89 Cb -0.10 0.10 0.47 0.00 -0.34 0.00 0.00 43.02 43.16 1rdu s PHE 89 CO 0.27 -0.27 1.17 -0.85 -1.46 0.00 0.00 175.22 174.08 1rdu n GLU 90 N 4.28 2.87 0.00 10.12 0.28 -1.26 -3.90 120.64 133.03 1rdu n GLU 90 Ca -0.24 -3.88 0.00 0.00 -0.16 0.00 0.00 57.16 52.87 1rdu n GLU 90 Cb 0.53 -2.00 0.00 0.00 1.43 0.00 0.00 31.44 31.41 1rdu n GLU 90 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rdu n GLY 91 N -0.67 3.93 0.00 -1.84 0.00 -1.26 -5.19 105.19 100.16 1rdu n GLY 91 Ca 0.31 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.03 3.17 3.94 -0.02 0.00 -1.26 -4.95 105.19 106.04 1rdu n GLY 92 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 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 2.39 0.27 2.61 -4.23 -1.26 -1.97 115.64 111.45 1rdu s THR 93 Ca 0.00 -0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.08 1rdu s THR 93 Cb 0.00 -3.00 0.34 0.00 1.34 0.00 0.00 72.50 71.18 1rdu s THR 93 CO 0.00 0.00 1.61 0.58 -0.54 0.00 0.00 174.62 176.27 1rdu h VAL 94 N -0.39 0.21 -0.87 2.29 2.07 -0.61 0.40 116.25 119.36 1rdu h VAL 94 Ca -0.44 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1rdu h VAL 94 Cb 1.31 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1rdu h VAL 94 CO 0.58 0.01 0.57 -0.61 0.02 0.00 0.00 177.57 178.14 1rdu h GLN 95 N 0.08 0.89 -0.22 1.57 4.15 -1.63 -2.66 115.11 117.29 1rdu h GLN 95 Ca 0.49 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.82 1rdu h GLN 95 Cb 0.92 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1rdu h GLN 95 CO -0.77 0.59 -0.01 0.93 -1.93 0.00 0.00 178.83 177.64 1rdu h GLU 96 N 0.92 0.39 -0.92 1.69 4.39 -1.24 0.23 114.58 120.04 1rdu h GLU 96 Ca 0.39 -0.13 0.27 0.00 0.34 0.00 0.00 59.36 60.23 1rdu h GLU 96 Cb 0.31 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 1rdu h GLU 96 CO -0.15 0.59 0.66 0.00 -1.16 0.00 0.00 179.01 178.95 1rdu h ALA 97 N 0.78 2.86 0.00 3.43 0.00 -1.31 0.17 119.26 125.20 1rdu h ALA 97 Ca 0.06 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1rdu h ALA 97 Cb 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1rdu h ALA 97 CO 0.01 -1.13 -1.52 -0.89 0.00 0.00 0.00 179.25 175.73 1rdu n ILE 98 N -4.27 1.52 -0.29 0.00 2.08 -0.81 -2.97 119.36 114.63 1rdu n ILE 98 Ca 0.19 -0.09 0.01 0.00 0.56 0.00 0.00 62.75 63.42 1rdu n ILE 98 Cb 0.99 -2.06 0.14 0.00 -0.75 0.00 0.00 39.64 37.95 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 0.73 -0.05 4.38 1.82 -0.36 0.36 116.42 122.30 1rdu h ASP 99 Ca -0.38 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.27 1rdu h ASP 99 Cb 1.27 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.16 1rdu h ASP 99 CO -0.23 0.46 -0.02 0.00 -1.61 0.00 0.00 179.24 177.83 1rdu h ALA 100 N 1.40 0.07 -0.56 -0.78 0.00 -0.84 -1.25 119.26 117.29 1rdu h ALA 100 Ca 0.36 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1rdu h ALA 100 Cb 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1rdu h ALA 100 CO -0.19 -0.20 0.26 0.35 0.00 0.00 0.00 179.25 179.47 1rdu h PHE 101 N -0.29 0.46 -0.07 0.00 3.04 -1.32 0.35 116.94 119.11 1rdu h PHE 101 Ca 0.01 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 1rdu h PHE 101 Cb 0.45 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 1rdu h PHE 101 CO 0.07 0.19 -0.38 0.66 -2.02 0.00 0.00 178.31 176.83 1rdu h SER 102 N 0.48 0.14 -0.86 0.41 4.64 -0.02 -0.52 113.55 117.82 1rdu h SER 102 Ca 0.27 -0.05 -0.55 0.00 -0.47 0.00 0.00 61.79 60.98 1rdu h SER 102 Cb 0.24 -0.04 -0.29 0.00 -0.31 0.00 0.00 62.40 62.00 1rdu h SER 102 CO -0.22 0.51 0.38 -0.62 -0.87 0.00 0.00 176.83 176.01 1rdu n GLU 103 N -4.07 2.65 -0.60 4.77 -0.58 -0.50 -4.95 120.64 117.38 1rdu n GLU 103 Ca -0.02 -3.39 -0.02 0.00 -0.42 0.00 0.00 57.16 53.32 1rdu n GLU 103 Cb 0.44 -2.20 -0.01 0.00 -0.57 0.00 0.00 31.44 29.10 1rdu n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rdu n GLY 104 N -0.96 0.17 1.57 0.62 0.00 -0.20 -4.81 105.19 101.58 1rdu n GLY 104 Ca 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 0.04 1.41 -4.26 1.61 1.74 0.12 -4.81 116.66 112.51 1rdu n ARG 105 Ca -0.02 -0.85 -0.17 0.00 -0.77 0.00 0.00 57.85 56.05 1rdu n ARG 105 Cb 0.23 -1.33 -0.09 0.00 -1.02 0.00 0.00 32.46 30.25 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 -0.97 1.52 0.27 0.55 1.43 -1.25 -4.78 118.68 115.45 1rdu s LEU 106 Ca 0.17 -1.61 0.10 0.00 -1.03 0.00 0.00 54.13 51.76 1rdu s LEU 106 Cb 0.13 0.47 -0.04 0.00 0.03 0.00 0.00 46.19 46.78 1rdu s LEU 106 CO 0.01 -0.97 -0.05 -1.61 0.23 0.00 0.00 176.35 173.96 1rdu s GLU 107 N -3.74 2.15 0.19 1.70 0.41 -1.26 -4.97 118.70 113.19 1rdu s GLU 107 Ca 0.40 -1.49 -0.30 0.00 -0.41 0.00 0.00 54.97 53.17 1rdu s GLU 107 Cb 0.04 -2.07 -0.08 0.00 -1.78 0.00 0.00 34.13 30.24 1rdu s GLU 107 CO 0.21 0.36 0.98 -2.00 -0.49 0.00 0.00 175.26 174.32 1rdu s GLU 108 N -3.61 4.75 -0.56 1.61 2.12 -1.26 -0.20 118.70 121.54 1rdu s GLU 108 Ca 0.31 1.53 0.05 0.00 0.36 0.00 0.00 54.97 57.23 1rdu s GLU 108 Cb -0.06 -3.31 0.35 0.00 0.26 0.00 0.00 34.13 31.37 1rdu s GLU 108 CO 0.19 0.32 0.96 -0.11 -0.54 0.00 0.00 175.26 176.08 1rdu n LEU 109 N 2.06 4.40 -2.13 2.70 7.94 0.20 -4.60 117.00 127.57 1rdu n LEU 109 Ca 0.00 -5.62 -0.27 0.00 -1.11 0.00 0.00 56.01 49.01 1rdu n LEU 109 Cb 0.47 -0.51 0.11 0.00 0.53 0.00 0.00 43.42 44.02 1rdu n LEU 109 CO 0.51 2.34 1.15 1.07 -1.11 0.00 0.00 177.39 181.36 1rdu n THR 110 N -0.26 3.26 -2.87 1.96 5.66 -1.25 -4.65 114.28 116.14 1rdu n THR 110 Ca 0.31 -2.87 0.01 0.00 -3.05 0.00 0.00 64.05 58.46 1rdu n THR 110 Cb 0.42 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.30 1rdu n THR 110 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1rdu s THR 111 N -4.27 -0.43 0.61 1.09 -1.32 -1.26 -5.09 115.64 104.97 1rdu s THR 111 Ca 0.59 -0.04 -0.12 0.00 -1.21 0.00 0.00 61.69 60.91 1rdu s THR 111 Cb 0.48 0.00 -0.04 0.00 -1.51 0.00 0.00 72.50 71.43 1rdu s THR 111 CO 0.02 0.00 1.03 -0.36 -2.21 0.00 0.00 174.62 173.10 1rdu s PHE 112 N 1.84 3.51 -0.31 9.09 0.40 -1.26 -5.02 117.98 126.22 1rdu s PHE 112 Ca 0.16 1.35 0.17 0.00 -0.60 0.00 0.00 56.93 58.00 1rdu s PHE 112 Cb 0.02 -2.76 0.47 0.00 0.51 0.00 0.00 43.02 41.26 1rdu s PHE 112 CO -0.12 -0.72 1.05 2.41 0.70 0.00 0.00 175.22 178.53 1rdu n THR 113 N -2.57 1.43 -3.80 0.64 -1.04 -1.26 -5.03 114.28 102.65 1rdu n THR 113 Ca 0.06 -3.38 -0.35 0.00 -2.04 0.00 0.00 64.05 58.34 1rdu n THR 113 Cb 0.54 0.43 -0.12 0.00 -1.82 0.00 0.00 70.33 69.36 1rdu n THR 113 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1rdu s ARG 114 N -3.45 2.06 -0.88 -2.82 6.06 -1.26 -5.04 118.95 113.61 1rdu s ARG 114 Ca 0.32 -2.01 -0.25 0.00 -2.50 0.00 0.00 55.73 51.30 1rdu s ARG 114 Cb 0.40 -3.56 0.04 0.00 0.06 0.00 0.00 34.95 31.89 1rdu s ARG 114 CO -0.02 -1.08 1.38 -2.00 -2.50 0.00 0.00 175.30 171.08 1rdu s GLU 115 N 0.81 3.37 0.00 5.12 2.56 -1.26 -5.21 118.70 124.10 1rdu s GLU 115 Ca 0.11 -0.67 0.00 0.00 0.00 0.00 0.00 54.97 54.41 1rdu s GLU 115 Cb -0.22 -4.79 0.00 0.00 2.00 0.00 0.00 34.13 31.12 1rdu s GLU 115 CO -0.04 -2.21 0.00 0.41 -0.56 0.00 0.00 175.26 172.86