#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 3.59 0.04 3.17 0.00 -1.26 -4.85 121.76 122.46 1rdu s ALA 2 Ca 0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 1rdu s ALA 2 Cb 0.00 -2.33 -0.06 0.00 0.00 0.00 0.00 23.12 20.73 1rdu s ALA 2 CO 0.00 0.14 0.47 1.03 0.00 0.00 0.00 175.76 177.40 1rdu s ARG 3 N -3.78 4.01 0.44 0.00 3.00 -1.15 -0.23 118.95 121.24 1rdu s ARG 3 Ca 0.44 0.51 0.01 0.00 0.00 0.00 0.00 55.73 56.69 1rdu s ARG 3 Cb -0.10 -3.19 -0.00 0.00 0.00 0.00 0.00 34.95 31.66 1rdu s ARG 3 CO 0.32 0.65 0.65 0.54 0.00 0.00 0.00 175.30 177.46 1rdu s VAL 4 N -1.14 3.93 0.12 3.52 0.11 -0.61 -0.24 120.40 126.08 1rdu s VAL 4 Ca 0.27 -0.56 0.06 0.00 -2.93 0.00 0.00 61.98 58.82 1rdu s VAL 4 Cb -0.17 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1rdu s VAL 4 CO 0.16 -0.29 -0.14 0.00 -3.33 0.00 0.00 175.10 171.50 1rdu s ALA 5 N -2.52 1.45 -0.07 1.54 0.00 -1.21 -2.92 121.76 118.03 1rdu s ALA 5 Ca 0.48 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 1rdu s ALA 5 Cb -0.10 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1rdu s ALA 5 CO 0.37 0.09 0.00 0.42 0.00 0.00 0.00 175.76 176.65 1rdu s ILE 6 N -2.13 0.36 -0.39 0.00 1.09 0.12 -1.01 121.20 119.23 1rdu s ILE 6 Ca 0.08 0.13 -0.28 0.00 -1.10 0.00 0.00 60.65 59.48 1rdu s ILE 6 Cb -0.05 -0.52 -0.01 0.00 -1.06 0.00 0.00 42.46 40.82 1rdu s ILE 6 CO 0.03 0.26 1.68 -2.16 -0.10 0.00 0.00 174.94 174.65 1rdu s PRO 7 N 1.97 3.32 0.40 2.79 0.04 -1.26 -1.51 135.00 140.75 1rdu s PRO 7 Ca 0.05 1.16 0.08 0.00 0.04 0.00 0.00 61.00 62.33 1rdu s PRO 7 Cb -0.12 -4.17 -0.02 0.00 0.04 0.00 0.00 34.50 30.23 1rdu s PRO 7 CO -0.05 -1.88 0.39 0.45 0.04 0.00 0.00 177.00 175.95 1rdu s SER 8 N 5.66 5.21 -0.25 6.66 0.15 0.17 -0.28 113.70 131.02 1rdu s SER 8 Ca 0.72 -0.64 0.12 0.00 0.70 0.00 0.00 55.95 56.86 1rdu s SER 8 Cb -0.18 -0.68 0.46 0.00 -1.71 0.00 0.00 66.02 63.90 1rdu s SER 8 CO 0.32 -0.60 1.18 1.33 1.20 0.00 0.00 173.24 176.66 1rdu n VAL 9 N -1.56 2.07 -3.64 4.45 0.24 -0.21 -1.47 118.33 118.21 1rdu n VAL 9 Ca 0.03 -3.59 -0.04 0.00 -2.04 0.00 0.00 64.34 58.70 1rdu n VAL 9 Cb 0.61 -0.37 -0.01 0.00 -1.47 0.00 0.00 33.84 32.59 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 -3.47 -0.34 -0.48 7.63 0.00 -1.26 -4.81 107.32 104.58 1rdu s GLY 10 Ca 0.43 0.67 -0.01 0.00 0.00 0.00 0.00 44.72 45.80 1rdu s GLY 10 CO -0.01 0.18 2.02 0.58 0.00 0.00 0.00 173.10 175.87 1rdu n LYS 11 N -0.36 2.21 -3.88 2.90 2.85 -1.26 -4.76 118.16 115.85 1rdu n LYS 11 Ca -0.07 -2.38 -0.11 0.00 -1.05 0.00 0.00 58.31 54.71 1rdu n LYS 11 Cb 0.61 -1.93 -0.10 0.00 -0.65 0.00 0.00 35.03 32.95 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 -0.77 0.04 0.28 -5.58 1.01 -1.26 -5.03 116.67 105.37 1rdu s ASP 12 Ca 0.47 -0.20 0.23 0.00 0.71 0.00 0.00 52.55 53.75 1rdu s ASP 12 Cb 0.37 0.19 1.05 0.00 1.01 0.00 0.00 42.92 45.54 1rdu s ASP 12 CO -0.00 -0.32 1.69 -0.11 0.21 0.00 0.00 175.17 176.64 1rdu n LEU 13 N 1.66 0.63 -1.78 1.23 -0.00 -1.26 -2.16 117.00 115.32 1rdu n LEU 13 Ca -0.22 0.70 -0.14 0.00 -0.00 0.00 0.00 56.01 56.35 1rdu n LEU 13 Cb 0.56 -0.67 0.06 0.00 -0.00 0.00 0.00 43.42 43.38 1rdu n LEU 13 CO 0.21 -0.70 0.20 -0.24 -0.00 0.00 0.00 177.39 176.85 1rdu n SER 14 N -2.25 3.78 -4.93 1.96 2.88 -1.26 -1.05 113.62 112.75 1rdu n SER 14 Ca 0.01 -3.56 -0.20 0.00 -1.33 0.00 0.00 58.87 53.79 1rdu n SER 14 Cb 0.16 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.22 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 -3.49 5.22 0.19 -3.46 0.01 -0.92 -4.81 113.70 106.45 1rdu s SER 15 Ca 0.45 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 1rdu s SER 15 Cb 0.39 -0.49 -0.08 0.00 0.21 0.00 0.00 66.02 66.05 1rdu s SER 15 CO 0.00 -0.75 1.03 -0.04 0.41 0.00 0.00 173.24 173.89 1rdu s MET 16 N -4.24 4.69 0.11 12.44 -1.94 -1.26 -0.28 119.30 128.82 1rdu s MET 16 Ca 0.50 1.61 -0.31 0.00 -1.71 0.00 0.00 55.69 55.79 1rdu s MET 16 Cb -0.05 -3.29 -0.07 0.00 2.01 0.00 0.00 34.83 33.43 1rdu s MET 16 CO 0.30 0.24 1.28 0.08 -0.01 0.00 0.00 175.02 176.92 1rdu s VAL 17 N -0.58 3.60 0.33 -6.03 1.01 -0.91 -1.05 120.40 116.78 1rdu s VAL 17 Ca 0.46 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 63.37 1rdu s VAL 17 Cb -0.28 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1rdu s VAL 17 CO 0.34 0.11 0.96 -0.55 0.00 0.00 0.00 175.10 175.96 1rdu s SER 18 N 0.87 7.27 -0.15 3.32 0.15 0.62 -4.87 113.70 120.92 1rdu s SER 18 Ca 0.60 1.85 0.00 0.00 0.70 0.00 0.00 55.95 59.10 1rdu s SER 18 Cb -0.33 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.53 1rdu s SER 18 CO 0.32 -0.12 1.73 0.47 1.20 0.00 0.00 173.24 176.84 1rdu n ASP 19 N 0.47 4.97 0.00 5.45 8.00 -1.26 -4.64 116.55 129.54 1rdu n ASP 19 Ca 0.02 -2.63 0.00 0.00 0.71 0.00 0.00 54.79 52.89 1rdu n ASP 19 Cb 0.50 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1rdu n ASP 19 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1rdu n ARG 20 N 0.60 0.00 0.03 -1.24 1.85 -1.24 -4.16 116.66 112.50 1rdu n ARG 20 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 57.00 1rdu n ARG 20 Cb 0.63 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 32.04 1rdu n ARG 20 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1rdu h PHE 21 N 0.00 -0.07 0.00 2.89 3.57 -0.92 -3.21 116.94 119.20 1rdu h PHE 21 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1rdu h PHE 21 Cb 0.00 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1rdu h PHE 21 CO 0.00 -0.04 0.00 0.00 -2.23 0.00 0.00 178.31 176.04 1rdu n ALA 22 N -2.05 2.29 -3.31 2.41 0.00 -1.26 -1.34 120.51 117.25 1rdu n ALA 22 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 1rdu n ALA 22 Cb 0.03 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.45 1.27 -3.97 0.00 1.74 -1.25 -4.56 116.66 109.44 1rdu n ARG 23 Ca 0.00 -3.72 -0.27 0.00 -0.77 0.00 0.00 57.85 53.09 1rdu n ARG 23 Cb 0.02 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 29.83 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 -1.49 4.48 0.00 7.54 0.00 -0.45 -4.54 121.76 127.32 1rdu s ALA 24 Ca 0.36 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1rdu s ALA 24 Cb 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1rdu s ALA 24 CO -0.09 -0.44 0.00 0.39 0.00 0.00 0.00 175.76 175.62 1rdu n GLU 25 N -1.77 2.25 -4.04 0.00 1.02 -0.54 -4.57 120.64 112.99 1rdu n GLU 25 Ca -0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.02 1rdu n GLU 25 Cb 0.65 -0.83 -0.10 0.00 -0.02 0.00 0.00 31.44 31.13 1rdu n GLU 25 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1rdu s TYR 26 N -1.63 0.39 -0.21 -0.32 1.51 -0.87 -0.96 117.35 115.26 1rdu s TYR 26 Ca 0.00 -0.81 -0.02 0.00 -1.01 0.00 0.00 57.07 55.23 1rdu s TYR 26 Cb 0.00 -0.29 0.07 0.00 -0.11 0.00 0.00 41.96 41.62 1rdu s TYR 26 CO 0.00 -0.29 0.03 -0.06 -1.11 0.00 0.00 175.55 174.13 1rdu s PHE 27 N -2.74 1.24 -0.11 2.71 0.08 0.11 -0.66 117.98 118.62 1rdu s PHE 27 Ca -0.04 -1.06 -0.23 0.00 0.12 0.00 0.00 56.93 55.72 1rdu s PHE 27 Cb -0.01 -1.16 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1rdu s PHE 27 CO -0.06 -0.66 0.70 0.42 -0.10 0.00 0.00 175.22 175.52 1rdu s ILE 28 N 1.78 5.02 -0.36 0.64 -1.09 -0.57 -0.86 121.20 125.77 1rdu s ILE 28 Ca -0.00 1.41 0.02 0.00 -2.23 0.00 0.00 60.65 59.85 1rdu s ILE 28 Cb -0.17 -4.03 0.11 0.00 -1.58 0.00 0.00 42.46 36.78 1rdu s ILE 28 CO -0.10 0.19 0.11 -0.63 -1.23 0.00 0.00 174.94 173.28 1rdu s ILE 29 N 1.21 1.73 -0.18 2.92 1.01 0.06 -0.70 121.20 127.24 1rdu s ILE 29 Ca 0.36 -2.15 -0.18 0.00 0.00 0.00 0.00 60.65 58.68 1rdu s ILE 29 Cb -0.17 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1rdu s ILE 29 CO 0.15 -0.68 0.47 -0.47 0.00 0.00 0.00 174.94 174.42 1rdu s TYR 30 N 0.96 3.40 -0.10 3.97 5.04 -1.15 -1.79 117.35 127.68 1rdu s TYR 30 Ca 0.12 0.75 -0.29 0.00 -2.44 0.00 0.00 57.07 55.21 1rdu s TYR 30 Cb -0.20 -2.60 -0.01 0.00 0.35 0.00 0.00 41.96 39.50 1rdu s TYR 30 CO -0.12 -0.02 0.99 -0.51 -1.34 0.00 0.00 175.55 174.54 1rdu s ASP 31 N 1.02 7.23 -0.28 4.32 1.01 -0.18 -1.58 116.67 128.21 1rdu s ASP 31 Ca 0.23 1.51 0.02 0.00 0.71 0.00 0.00 52.55 55.02 1rdu s ASP 31 Cb -0.15 -2.55 0.36 0.00 1.01 0.00 0.00 42.92 41.60 1rdu s ASP 31 CO 0.09 -0.42 1.62 0.35 0.21 0.00 0.00 175.17 177.02 1rdu n THR 32 N 4.49 2.40 0.00 -1.27 -2.24 0.68 -2.48 114.28 115.87 1rdu n THR 32 Ca 0.08 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1rdu n THR 32 Cb 0.49 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1rdu n THR 32 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rdu n GLU 33 N -0.35 0.00 -1.01 -0.78 1.02 -1.26 -0.82 120.64 117.43 1rdu n GLU 33 Ca 0.35 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.27 1rdu n GLU 33 Cb 1.07 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.58 1rdu n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rdu n SER 34 N 0.00 5.52 -0.60 1.62 2.88 -1.26 -4.82 113.62 116.96 1rdu n SER 34 Ca 0.00 -3.31 -0.03 0.00 -1.33 0.00 0.00 58.87 54.20 1rdu n SER 34 Cb 0.00 -0.90 -0.01 0.00 -0.75 0.00 0.00 64.21 62.55 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 -0.45 0.29 3.77 0.46 0.00 -1.03 -4.93 105.19 103.29 1rdu n GLY 35 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.05 5.10 0.03 1.61 0.01 -1.26 -4.73 114.94 114.65 1rdu s ASN 36 Ca 0.00 2.03 0.05 0.00 -0.71 0.00 0.00 52.86 54.24 1rdu s ASN 36 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 1rdu s ASN 36 CO 0.00 -1.63 -0.16 -0.69 -1.51 0.00 0.00 177.10 173.11 1rdu s VAL 37 N -2.28 1.26 -0.08 1.60 1.01 -1.26 -1.01 120.40 119.65 1rdu s VAL 37 Ca 0.68 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1rdu s VAL 37 Cb -0.21 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1rdu s VAL 37 CO 0.41 0.14 -0.19 -0.70 0.00 0.00 0.00 175.10 174.75 1rdu s GLU 38 N -0.95 2.40 -0.45 2.72 2.56 -0.74 -4.95 118.70 119.29 1rdu s GLU 38 Ca 0.04 -0.67 -0.17 0.00 0.00 0.00 0.00 54.97 54.17 1rdu s GLU 38 Cb -0.08 -1.88 0.04 0.00 2.00 0.00 0.00 34.13 34.22 1rdu s GLU 38 CO 0.01 0.13 0.46 0.08 -0.56 0.00 0.00 175.26 175.38 1rdu s VAL 39 N 0.44 5.09 0.37 3.70 1.01 -1.26 -0.76 120.40 128.98 1rdu s VAL 39 Ca -0.16 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 1rdu s VAL 39 Cb -0.17 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 1rdu s VAL 39 CO 0.06 -0.54 0.95 -0.69 0.00 0.00 0.00 175.10 174.88 1rdu s VAL 40 N 2.10 4.24 0.09 2.92 1.01 -0.04 -4.94 120.40 125.78 1rdu s VAL 40 Ca 0.10 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.80 1rdu s VAL 40 Cb -0.19 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1rdu s VAL 40 CO 0.11 -0.03 0.03 -0.70 0.00 0.00 0.00 175.10 174.51 1rdu s GLU 41 N -2.49 2.69 -0.27 2.72 2.12 -1.26 -0.71 118.70 121.50 1rdu s GLU 41 Ca 0.55 -0.78 -0.19 0.00 0.36 0.00 0.00 54.97 54.91 1rdu s GLU 41 Cb -0.15 -2.62 0.08 0.00 0.26 0.00 0.00 34.13 31.69 1rdu s GLU 41 CO 0.20 0.55 0.69 1.21 -0.54 0.00 0.00 175.26 177.37 1rdu s ASN 42 N -2.37 -0.86 -0.60 -1.70 3.04 -0.13 -4.90 114.94 107.42 1rdu s ASN 42 Ca 0.27 1.46 0.05 0.00 0.04 0.00 0.00 52.86 54.69 1rdu s ASN 42 Cb -0.12 1.39 0.33 0.00 -1.54 0.00 0.00 41.25 41.31 1rdu s ASN 42 CO 0.20 -0.24 0.94 0.35 -3.04 0.00 0.00 177.10 175.31 1rdu n THR 43 N 3.72 3.05 -2.15 -5.21 -2.24 -1.26 -4.23 114.28 105.97 1rdu n THR 43 Ca -0.18 -5.55 -0.42 0.00 -2.27 0.00 0.00 64.05 55.64 1rdu n THR 43 Cb 0.57 -1.50 -0.01 0.00 -2.10 0.00 0.00 70.33 67.30 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 -0.09 3.52 -1.57 2.28 -0.00 -1.26 -4.77 119.36 117.46 1rdu n ILE 44 Ca 0.31 -3.42 -0.28 0.00 -0.00 0.00 0.00 62.75 59.36 1rdu n ILE 44 Cb 0.39 -2.44 0.08 0.00 -0.00 0.00 0.00 39.64 37.67 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 7.86 5.65 -3.83 -1.28 0.00 -1.26 -4.84 120.51 122.80 1rdu n ALA 45 Ca 0.50 -3.52 -0.13 0.00 0.00 0.00 0.00 53.44 50.29 1rdu n ALA 45 Cb 0.43 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 1rdu n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rdu n ASP 46 N -0.88 -0.80 -2.00 0.00 -0.08 -1.26 -5.09 116.55 106.43 1rdu n ASP 46 Ca 0.53 -2.49 -0.25 0.00 -1.51 0.00 0.00 54.79 51.08 1rdu n ASP 46 Cb 0.87 1.60 0.05 0.00 2.34 0.00 0.00 41.12 45.98 1rdu n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rdu n ALA 47 N -1.31 5.28 -1.66 -1.67 0.00 -1.26 -5.07 120.51 114.83 1rdu n ALA 47 Ca -0.09 -3.65 -0.37 0.00 0.00 0.00 0.00 53.44 49.32 1rdu n ALA 47 Cb 0.44 -0.73 0.06 0.00 0.00 0.00 0.00 19.45 19.22 1rdu n ALA 47 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rdu n HIS 48 N -0.81 1.22 -0.10 0.00 8.25 -1.26 -4.97 115.22 117.55 1rdu n HIS 48 Ca 0.48 0.43 -0.10 0.00 -0.26 0.00 0.00 57.72 58.26 1rdu n HIS 48 Cb 0.89 -2.18 -0.15 0.00 1.12 0.00 0.00 29.99 29.67 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 1.16 -0.93 3.31 -1.41 0.00 -1.26 -4.89 105.19 101.17 1rdu n GLY 49 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1rdu n GLY 49 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rdu s THR 50 N -2.48 0.07 -0.03 2.61 -1.32 -1.26 -5.02 115.64 108.21 1rdu s THR 50 Ca -0.12 -1.48 -0.02 0.00 -1.21 0.00 0.00 61.69 58.87 1rdu s THR 50 Cb 0.06 -1.88 0.01 0.00 -1.51 0.00 0.00 72.50 69.17 1rdu s THR 50 CO 0.79 -0.32 0.03 0.61 -2.21 0.00 0.00 174.62 173.53 1rdu n GLY 51 N -0.20 -3.27 0.33 6.08 0.00 -1.26 -4.94 105.19 101.93 1rdu n GLY 51 Ca -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 0.58 0.99 0.00 1.61 0.13 -1.96 -3.46 132.00 129.89 1rdu h PRO 52 Ca -0.08 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1rdu h PRO 52 Cb 0.18 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1rdu h PRO 52 CO 0.00 0.81 0.00 0.36 -0.23 0.00 0.00 178.00 178.94 1rdu n LYS 53 N -4.30 0.00 0.07 0.86 2.85 -1.26 -4.20 118.16 112.19 1rdu n LYS 53 Ca 0.06 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.18 1rdu n LYS 53 Cb 0.18 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.47 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1rdu h VAL 54 N 0.00 0.00 0.22 0.58 3.04 -1.99 -0.85 116.25 117.25 1rdu h VAL 54 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1rdu h VAL 54 Cb 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.26 1rdu h VAL 54 CO 0.00 0.00 -0.22 0.58 -1.01 0.00 0.00 177.57 176.92 1rdu h VAL 55 N -0.61 0.53 -0.67 1.51 2.07 -1.97 0.03 116.25 117.13 1rdu h VAL 55 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1rdu h VAL 55 Cb 0.63 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1rdu h VAL 55 CO -0.27 0.00 0.06 1.56 0.02 0.00 0.00 177.57 178.94 1rdu h GLN 56 N -0.46 0.16 0.02 1.57 1.08 -1.78 0.53 115.11 116.23 1rdu h GLN 56 Ca -0.00 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1rdu h GLN 56 Cb 0.43 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1rdu h GLN 56 CO -0.05 0.11 -0.01 1.03 -0.95 0.00 0.00 178.83 178.95 1rdu h SER 57 N 0.17 -0.03 -0.56 1.46 0.87 -0.79 -0.66 113.55 114.00 1rdu h SER 57 Ca 0.36 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 1rdu h SER 57 Cb 0.60 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1rdu h SER 57 CO -0.54 0.34 0.02 -0.07 -0.53 0.00 0.00 176.83 176.06 1rdu h LEU 58 N -0.40 0.97 -0.77 2.23 3.38 -0.38 -2.01 115.31 118.34 1rdu h LEU 58 Ca -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1rdu h LEU 58 Cb 0.38 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1rdu h LEU 58 CO 0.01 1.01 0.41 0.58 0.09 0.00 0.00 178.44 180.54 1rdu h VAL 59 N 0.93 1.23 0.00 1.22 2.07 -0.93 -0.45 116.25 120.32 1rdu h VAL 59 Ca 0.17 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1rdu h VAL 59 Cb 0.51 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1rdu h VAL 59 CO 0.02 0.26 0.00 -1.20 0.02 0.00 0.00 177.57 176.68 1rdu n SER 60 N -4.43 0.00 -1.93 0.57 7.64 -0.26 -1.13 113.62 114.08 1rdu n SER 60 Ca 0.07 -0.31 -0.11 0.00 1.01 0.00 0.00 58.87 59.53 1rdu n SER 60 Cb 0.10 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.36 1rdu n SER 60 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rdu n LYS 61 N -0.93 2.52 -1.43 1.43 5.02 -0.20 -5.01 118.16 119.56 1rdu n LYS 61 Ca 0.06 -3.69 -0.15 0.00 -2.02 0.00 0.00 58.31 52.51 1rdu n LYS 61 Cb 0.03 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.15 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 -0.66 1.42 3.56 0.72 0.00 -0.29 -4.78 105.19 105.17 1rdu n GLY 62 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.26 3.30 -0.52 1.61 1.01 -1.07 -2.95 120.40 119.52 1rdu s VAL 63 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1rdu s VAL 63 Cb 0.00 -3.65 0.51 0.00 0.00 0.00 0.00 36.38 33.24 1rdu s VAL 63 CO 0.00 -0.58 1.83 -0.62 0.00 0.00 0.00 175.10 175.73 1rdu n GLU 64 N 8.97 2.61 0.00 2.72 -0.58 0.67 -4.72 120.64 130.31 1rdu n GLU 64 Ca 0.25 -3.33 0.00 0.00 -0.42 0.00 0.00 57.16 53.66 1rdu n GLU 64 Cb 0.51 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 1rdu n GLU 64 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1rdu n TYR 65 N -0.97 0.00 -3.63 -0.32 4.01 -1.17 -3.66 117.16 111.42 1rdu n TYR 65 Ca 0.56 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 58.25 1rdu n TYR 65 Cb 0.99 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.97 1rdu n TYR 65 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1rdu s LEU 66 N 0.00 -0.19 -0.36 7.72 2.96 -0.47 -3.31 118.68 125.04 1rdu s LEU 66 Ca 0.00 0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1rdu s LEU 66 Cb 0.00 1.41 0.09 0.00 0.50 0.00 0.00 46.19 48.18 1rdu s LEU 66 CO 0.00 -0.13 0.10 -0.63 -1.32 0.00 0.00 176.35 174.38 1rdu s ILE 67 N -0.61 3.03 -0.29 6.68 1.01 -0.18 0.05 121.20 130.89 1rdu s ILE 67 Ca 0.05 -1.84 0.04 0.00 0.00 0.00 0.00 60.65 58.90 1rdu s ILE 67 Cb -0.02 -2.97 0.19 0.00 0.01 0.00 0.00 42.46 39.67 1rdu s ILE 67 CO -0.07 -0.45 0.56 0.00 0.00 0.00 0.00 174.94 174.98 1rdu s ALA 68 N 1.15 -2.20 0.23 9.38 0.00 0.99 -4.05 121.76 127.25 1rdu s ALA 68 Ca 0.03 1.09 0.34 0.00 0.00 0.00 0.00 51.96 53.42 1rdu s ALA 68 Cb -0.21 -2.40 1.80 0.00 0.00 0.00 0.00 23.12 22.30 1rdu s ALA 68 CO -0.04 -1.73 2.03 1.03 0.00 0.00 0.00 175.76 177.06 1rdu h SER 69 N 8.02 0.00 -5.19 0.00 0.87 -1.80 -3.38 113.55 112.07 1rdu h SER 69 Ca -0.06 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1rdu h SER 69 Cb 1.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1rdu h SER 69 CO 0.18 0.00 0.42 0.21 -0.53 0.00 0.00 176.83 177.11 1rdu s ASN 70 N -4.65 -0.01 0.17 6.23 3.84 -1.26 -4.88 114.94 114.37 1rdu s ASN 70 Ca -0.03 -0.90 0.08 0.00 0.21 0.00 0.00 52.86 52.21 1rdu s ASN 70 Cb 0.10 0.68 -0.04 0.00 -0.55 0.00 0.00 41.25 41.44 1rdu s ASN 70 CO 0.32 -1.35 -0.16 0.54 -2.79 0.00 0.00 177.10 173.66 1rdu s VAL 71 N -2.32 1.68 -0.95 -5.21 0.11 -1.26 -0.30 120.40 112.15 1rdu s VAL 71 Ca 0.18 -1.96 0.00 0.00 -2.93 0.00 0.00 61.98 57.27 1rdu s VAL 71 Cb -0.04 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 1rdu s VAL 71 CO 0.08 -0.42 0.14 0.61 -3.33 0.00 0.00 175.10 172.18 1rdu n GLY 72 N 0.14 0.41 3.79 6.54 0.00 -1.26 -4.75 105.19 110.07 1rdu n GLY 72 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1rdu n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rdu n ARG 73 N 0.39 -0.13 -3.60 1.61 0.63 -1.26 -4.84 116.66 109.46 1rdu n ARG 73 Ca 0.00 0.03 -0.29 0.00 -0.92 0.00 0.00 57.85 56.67 1rdu n ARG 73 Cb 0.07 -4.27 -0.15 0.00 0.45 0.00 0.00 32.46 28.56 1rdu n ARG 73 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1rdu s ASN 74 N -2.12 3.56 0.00 6.15 2.20 -1.26 -4.87 114.94 118.59 1rdu s ASN 74 Ca 0.00 -1.31 0.00 0.00 -0.94 0.00 0.00 52.86 50.61 1rdu s ASN 74 Cb 0.00 -0.48 0.00 0.00 -2.00 0.00 0.00 41.25 38.77 1rdu s ASN 74 CO 0.00 -0.42 0.00 0.00 -2.94 0.00 0.00 177.10 173.74 1rdu n ALA 75 N 5.15 0.00 -0.21 3.54 0.00 -1.26 -4.83 120.51 122.90 1rdu n ALA 75 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1rdu n ALA 75 Cb 0.43 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.96 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 0.59 -0.68 0.00 3.04 -1.99 -0.34 116.94 117.56 1rdu h PHE 76 Ca 0.00 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 1rdu h PHE 76 Cb 0.00 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.31 1rdu h PHE 76 CO 0.00 0.27 0.15 0.93 -2.02 0.00 0.00 178.31 177.65 1rdu h GLU 77 N 0.60 1.10 0.00 1.11 5.08 -1.98 -0.71 114.58 119.79 1rdu h GLU 77 Ca 0.28 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rdu h GLU 77 Cb 0.19 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1rdu h GLU 77 CO -0.19 0.99 0.00 1.15 -1.00 0.00 0.00 179.01 179.96 1rdu h THR 78 N 1.03 0.00 -0.02 1.13 2.02 -1.55 0.12 112.91 115.63 1rdu h THR 78 Ca 0.21 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1rdu h THR 78 Cb 0.39 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1rdu h THR 78 CO 0.00 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.57 1rdu h LEU 79 N 0.00 0.26 -1.26 2.58 3.38 0.38 -2.95 115.31 117.71 1rdu h LEU 79 Ca 0.00 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.21 1rdu h LEU 79 Cb 0.35 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1rdu h LEU 79 CO 0.00 0.95 0.13 0.11 0.09 0.00 0.00 178.44 179.71 1rdu h LYS 80 N -0.40 0.64 -0.57 1.13 1.79 -0.92 0.14 116.57 118.39 1rdu h LYS 80 Ca -0.03 -0.10 0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1rdu h LYS 80 Cb 0.97 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.46 1rdu h LYS 80 CO 0.05 0.57 0.32 0.00 -1.08 0.00 0.00 179.45 179.31 1rdu h ALA 81 N 1.52 0.74 -0.76 3.86 0.00 -0.74 -0.39 119.26 123.48 1rdu h ALA 81 Ca 0.15 0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.59 1rdu h ALA 81 Cb 0.20 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 17.65 1rdu h ALA 81 CO -0.01 0.00 0.61 0.00 0.00 0.00 0.00 179.25 179.85 1rdu n ALA 82 N -2.32 5.44 -2.78 0.00 0.00 -1.00 -4.92 120.51 114.94 1rdu n ALA 82 Ca 0.05 -2.48 -0.07 0.00 0.00 0.00 0.00 53.44 50.95 1rdu n ALA 82 Cb 0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.49 -0.47 3.69 0.00 0.00 -0.16 -4.89 105.19 102.87 1rdu n GLY 83 Ca 0.47 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.15 4.71 0.65 1.61 1.01 0.47 -4.84 120.40 121.86 1rdu s VAL 84 Ca 0.14 1.99 -0.11 0.00 0.00 0.00 0.00 61.98 64.00 1rdu s VAL 84 Cb -0.08 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1rdu s VAL 84 CO 0.17 -0.00 1.04 -0.54 0.00 0.00 0.00 175.10 175.77 1rdu s LYS 85 N 2.09 3.37 -0.07 2.72 1.02 -1.24 -4.41 119.74 123.22 1rdu s LYS 85 Ca 0.49 0.80 -0.03 0.00 0.02 0.00 0.00 55.97 57.25 1rdu s LYS 85 Cb -0.19 -2.05 0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1rdu s LYS 85 CO 0.18 -0.75 0.15 0.08 -0.92 0.00 0.00 175.35 174.09 1rdu s VAL 86 N -3.15 -0.04 0.22 3.17 1.01 -1.26 -1.37 120.40 118.98 1rdu s VAL 86 Ca 0.56 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.76 1rdu s VAL 86 Cb -0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1rdu s VAL 86 CO 0.54 0.06 0.12 -0.31 0.00 0.00 0.00 175.10 175.51 1rdu s TYR 87 N 1.00 3.02 0.63 5.22 1.51 0.11 -0.64 117.35 128.20 1rdu s TYR 87 Ca -0.08 -0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 55.77 1rdu s TYR 87 Cb -0.10 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.33 1rdu s TYR 87 CO -0.05 0.54 1.04 0.50 -1.11 0.00 0.00 175.55 176.46 1rdu s ARG 88 N -3.48 3.48 0.13 -0.62 3.52 0.99 -0.01 118.95 122.96 1rdu s ARG 88 Ca 0.31 0.70 0.04 0.00 -0.13 0.00 0.00 55.73 56.65 1rdu s ARG 88 Cb -0.08 -2.07 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 1rdu s ARG 88 CO 0.23 -0.65 -0.09 -0.59 -0.81 0.00 0.00 175.30 173.39 1rdu s PHE 89 N -3.21 1.15 -0.55 5.12 -0.71 -1.26 -4.18 117.98 114.34 1rdu s PHE 89 Ca 0.56 -0.77 0.06 0.00 -1.04 0.00 0.00 56.93 55.73 1rdu s PHE 89 Cb -0.11 -0.60 0.21 0.00 -1.21 0.00 0.00 43.02 41.31 1rdu s PHE 89 CO 0.54 0.02 0.54 -0.85 -1.34 0.00 0.00 175.22 174.12 1rdu n GLU 90 N -0.02 1.40 -0.71 1.99 0.28 -1.26 -4.55 120.64 117.77 1rdu n GLU 90 Ca -0.12 -3.94 0.08 0.00 -0.16 0.00 0.00 57.16 53.02 1rdu n GLU 90 Cb 0.60 -1.88 -0.05 0.00 1.43 0.00 0.00 31.44 31.55 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 1.70 -3.02 0.00 -1.84 0.00 -1.26 -5.12 105.19 95.64 1rdu n GLY 91 Ca 0.25 -1.25 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 -3.14 4.02 3.97 -0.02 0.00 -1.26 -4.84 105.19 103.92 1rdu n GLY 92 Ca -0.05 -1.62 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.15 4.07 0.40 2.61 -4.23 -1.26 -2.13 115.64 112.94 1rdu s THR 93 Ca 0.00 -0.76 0.22 0.00 -1.18 0.00 0.00 61.69 59.97 1rdu s THR 93 Cb 0.00 -3.45 0.41 0.00 1.34 0.00 0.00 72.50 70.80 1rdu s THR 93 CO 0.00 -0.24 1.68 0.58 -0.54 0.00 0.00 174.62 176.09 1rdu h VAL 94 N 0.66 0.29 -0.20 2.29 2.07 -0.61 0.73 116.25 121.48 1rdu h VAL 94 Ca -0.46 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1rdu h VAL 94 Cb 1.25 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1rdu h VAL 94 CO 0.55 0.04 -0.11 -0.61 0.02 0.00 0.00 177.57 177.46 1rdu h GLN 95 N 0.24 0.32 -0.42 1.57 4.15 -1.39 -2.97 115.11 116.61 1rdu h GLN 95 Ca 0.73 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 60.00 1rdu h GLN 95 Cb 2.00 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.63 1rdu h GLN 95 CO -0.44 0.44 -0.02 0.93 -1.93 0.00 0.00 178.83 177.81 1rdu h GLU 96 N 0.30 0.75 -0.72 1.69 4.39 -1.16 0.14 114.58 119.97 1rdu h GLU 96 Ca 0.06 -0.25 0.21 0.00 0.34 0.00 0.00 59.36 59.72 1rdu h GLU 96 Cb 0.39 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1rdu h GLU 96 CO 0.02 0.84 0.57 0.00 -1.16 0.00 0.00 179.01 179.28 1rdu h ALA 97 N 0.88 2.62 0.00 3.43 0.00 -1.52 0.88 119.26 125.56 1rdu h ALA 97 Ca 0.11 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1rdu h ALA 97 Cb 0.52 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1rdu h ALA 97 CO 0.03 -0.94 -1.53 -0.89 0.00 0.00 0.00 179.25 175.92 1rdu n ILE 98 N -4.12 1.51 0.27 0.00 2.08 -0.70 -3.25 119.36 115.15 1rdu n ILE 98 Ca 0.15 -0.08 0.13 0.00 0.56 0.00 0.00 62.75 63.50 1rdu n ILE 98 Cb 0.84 -2.10 0.77 0.00 -0.75 0.00 0.00 39.64 38.40 1rdu n ILE 98 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1rdu h ASP 99 N -1.00 0.00 0.19 4.38 3.32 -0.62 0.49 116.42 123.19 1rdu h ASP 99 Ca -0.35 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1rdu h ASP 99 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1rdu h ASP 99 CO -0.21 0.09 -0.09 0.00 -1.72 0.00 0.00 179.24 177.30 1rdu h ALA 100 N 1.91 -0.26 -0.58 3.45 0.00 -1.01 -3.32 119.26 119.46 1rdu h ALA 100 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1rdu h ALA 100 Cb 0.23 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1rdu h ALA 100 CO 0.01 -0.28 0.38 0.35 0.00 0.00 0.00 179.25 179.71 1rdu h PHE 101 N -0.99 0.72 0.00 0.00 3.57 -1.34 0.30 116.94 119.20 1rdu h PHE 101 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1rdu h PHE 101 Cb 0.41 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1rdu h PHE 101 CO 0.05 0.45 0.00 -1.13 -2.23 0.00 0.00 178.31 175.46 1rdu n SER 102 N -4.69 0.43 -1.35 0.41 3.41 0.17 -0.76 113.62 111.25 1rdu n SER 102 Ca 0.04 0.63 -0.09 0.00 -0.26 0.00 0.00 58.87 59.18 1rdu n SER 102 Cb 0.02 -0.71 0.11 0.00 -0.26 0.00 0.00 64.21 63.37 1rdu n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rdu n GLU 103 N -2.00 2.60 -0.37 4.33 -0.58 -1.02 -4.98 120.64 118.62 1rdu n GLU 103 Ca 0.02 -3.73 0.00 0.00 -0.42 0.00 0.00 57.16 53.02 1rdu n GLU 103 Cb 0.17 -1.94 0.00 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 -0.89 0.00 1.53 0.62 0.00 0.07 -4.83 105.19 101.69 1rdu n GLY 104 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.33 1.09 -1.31 1.61 1.74 0.06 -4.71 116.66 114.82 1rdu n ARG 105 Ca 0.00 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1rdu n ARG 105 Cb 0.08 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1rdu n ARG 105 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rdu n LEU 106 N 1.34 0.00 -4.27 0.55 4.77 -1.26 -4.64 117.00 113.49 1rdu n LEU 106 Ca 0.04 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 1rdu n LEU 106 Cb 0.51 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1rdu n LEU 106 CO 0.04 0.00 -0.46 -1.61 -1.33 0.00 0.00 177.39 174.04 1rdu s GLU 107 N -0.96 1.09 0.07 3.23 2.02 -1.26 -5.01 118.70 117.88 1rdu s GLU 107 Ca 0.00 -1.28 -0.30 0.00 0.02 0.00 0.00 54.97 53.41 1rdu s GLU 107 Cb 0.00 -1.02 -0.05 0.00 0.10 0.00 0.00 34.13 33.16 1rdu s GLU 107 CO 0.00 0.20 1.03 -2.00 0.02 0.00 0.00 175.26 174.50 1rdu s GLU 108 N -2.70 4.59 -0.71 1.61 2.12 -1.26 -0.01 118.70 122.34 1rdu s GLU 108 Ca 0.11 1.53 0.04 0.00 0.36 0.00 0.00 54.97 57.01 1rdu s GLU 108 Cb -0.05 -3.39 0.25 0.00 0.26 0.00 0.00 34.13 31.19 1rdu s GLU 108 CO 0.04 0.02 0.81 -0.11 -0.54 0.00 0.00 175.26 175.48 1rdu n LEU 109 N 3.36 4.04 -1.89 2.70 7.94 0.18 -4.69 117.00 128.63 1rdu n LEU 109 Ca 0.05 -5.38 -0.22 0.00 -1.11 0.00 0.00 56.01 49.34 1rdu n LEU 109 Cb 0.49 -0.77 0.08 0.00 0.53 0.00 0.00 43.42 43.75 1rdu n LEU 109 CO 0.53 1.96 0.67 0.35 -1.11 0.00 0.00 177.39 179.79 1rdu n THR 110 N 1.07 2.85 0.00 1.96 -2.24 -1.26 -4.70 114.28 111.96 1rdu n THR 110 Ca 0.28 -3.48 0.00 0.00 -2.27 0.00 0.00 64.05 58.58 1rdu n THR 110 Cb 0.39 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1rdu n THR 110 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1rdu n THR 111 N -0.88 0.00 -3.69 4.28 5.66 -1.26 -5.13 114.28 113.26 1rdu n THR 111 Ca 0.47 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.39 1rdu n THR 111 Cb 0.91 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.67 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 -0.30 0.27 1.09 -0.71 -1.26 -5.19 117.98 111.87 1rdu s PHE 112 Ca 0.00 -0.04 -0.04 0.00 -1.04 0.00 0.00 56.93 55.81 1rdu s PHE 112 Cb 0.00 0.64 -0.02 0.00 -1.21 0.00 0.00 43.02 42.44 1rdu s PHE 112 CO 0.00 -1.01 0.34 0.95 -1.34 0.00 0.00 175.22 174.16 1rdu s THR 113 N -3.72 0.00 -0.09 -4.49 -4.23 -1.26 -5.08 115.64 96.76 1rdu s THR 113 Ca 0.08 -1.71 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 1rdu s THR 113 Cb -0.03 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1rdu s THR 113 CO -0.01 0.00 0.22 -0.60 -0.54 0.00 0.00 174.62 173.69 1rdu s ARG 114 N -3.75 0.18 -0.38 3.99 6.06 -1.26 -4.98 118.95 118.81 1rdu s ARG 114 Ca 0.32 0.46 0.01 0.00 -2.50 0.00 0.00 55.73 54.01 1rdu s ARG 114 Cb 0.02 -0.10 0.14 0.00 0.06 0.00 0.00 34.95 35.07 1rdu s ARG 114 CO 0.15 -0.14 0.23 -2.00 -2.50 0.00 0.00 175.30 171.03 1rdu s GLU 115 N 1.07 0.73 0.00 5.12 2.12 -1.26 -4.99 118.70 121.49 1rdu s GLU 115 Ca -0.08 -1.54 0.00 0.00 0.36 0.00 0.00 54.97 53.71 1rdu s GLU 115 Cb -0.09 -1.51 0.00 0.00 0.26 0.00 0.00 34.13 32.79 1rdu s GLU 115 CO -0.07 -1.22 0.00 0.41 -0.54 0.00 0.00 175.26 173.84