#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 3.45 -0.35 3.17 0.00 -1.26 -4.83 121.76 121.94 1rdu s ALA 2 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 1rdu s ALA 2 Cb 0.00 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1rdu s ALA 2 CO 0.00 0.10 0.18 1.03 0.00 0.00 0.00 175.76 177.07 1rdu s ARG 3 N 0.07 2.96 -0.18 0.00 0.52 -1.26 -1.08 118.95 119.97 1rdu s ARG 3 Ca 0.32 -0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 54.43 1rdu s ARG 3 Cb -0.18 -3.67 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 1rdu s ARG 3 CO 0.17 -0.62 0.23 0.54 0.02 0.00 0.00 175.30 175.65 1rdu s VAL 4 N 1.56 5.34 -0.17 3.52 0.11 -0.70 -2.49 120.40 127.57 1rdu s VAL 4 Ca 0.03 0.41 -0.08 0.00 -2.93 0.00 0.00 61.98 59.40 1rdu s VAL 4 Cb -0.19 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1rdu s VAL 4 CO 0.06 0.39 0.10 0.00 -3.33 0.00 0.00 175.10 172.33 1rdu s ALA 5 N 0.55 3.63 -0.20 1.54 0.00 -0.93 -1.06 121.76 125.30 1rdu s ALA 5 Ca 0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 1rdu s ALA 5 Cb -0.12 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 1rdu s ALA 5 CO 0.02 0.31 -0.08 0.42 0.00 0.00 0.00 175.76 176.43 1rdu s ILE 6 N -0.06 3.10 -0.86 0.00 1.09 0.11 -2.52 121.20 122.06 1rdu s ILE 6 Ca 0.09 -0.59 -0.25 0.00 -1.10 0.00 0.00 60.65 58.79 1rdu s ILE 6 Cb -0.12 -2.38 -0.01 0.00 -1.06 0.00 0.00 42.46 38.90 1rdu s ILE 6 CO 0.00 0.46 1.72 -2.16 -0.10 0.00 0.00 174.94 174.86 1rdu s PRO 7 N 1.30 2.92 0.68 2.79 0.04 -1.26 -1.96 135.00 139.51 1rdu s PRO 7 Ca 0.04 -0.32 -0.05 0.00 0.04 0.00 0.00 61.00 60.71 1rdu s PRO 7 Cb -0.14 -4.90 0.07 0.00 0.04 0.00 0.00 34.50 29.57 1rdu s PRO 7 CO -0.04 -2.79 0.97 0.45 0.04 0.00 0.00 177.00 175.62 1rdu s SER 8 N 6.72 4.81 -0.26 6.66 0.15 0.10 -0.14 113.70 131.74 1rdu s SER 8 Ca 0.59 0.26 0.12 0.00 0.70 0.00 0.00 55.95 57.61 1rdu s SER 8 Cb -0.06 -0.92 0.46 0.00 -1.71 0.00 0.00 66.02 63.79 1rdu s SER 8 CO 0.03 -1.56 1.18 1.33 1.20 0.00 0.00 173.24 175.42 1rdu n VAL 9 N -2.81 2.12 -3.99 4.45 0.24 -0.73 -1.62 118.33 115.99 1rdu n VAL 9 Ca 0.09 -3.66 0.02 0.00 -2.04 0.00 0.00 64.34 58.75 1rdu n VAL 9 Cb 0.60 -0.43 0.01 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.70 0.30 2.13 7.63 0.00 -1.26 -4.87 105.19 108.42 1rdu n GLY 10 Ca 0.31 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 1rdu n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rdu n LYS 11 N -0.47 3.15 -3.96 1.61 5.02 -1.26 -4.72 118.16 117.53 1rdu n LYS 11 Ca 0.03 -3.75 -0.08 0.00 -2.02 0.00 0.00 58.31 52.48 1rdu n LYS 11 Cb 0.28 -2.27 -0.09 0.00 -0.02 0.00 0.00 35.03 32.93 1rdu n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rdu s ASP 12 N -2.79 0.26 0.17 4.39 1.01 -1.26 -5.05 116.67 113.40 1rdu s ASP 12 Ca 0.57 -0.70 0.26 0.00 0.71 0.00 0.00 52.55 53.39 1rdu s ASP 12 Cb 0.45 0.24 0.90 0.00 1.01 0.00 0.00 42.92 45.53 1rdu s ASP 12 CO 0.02 -0.59 1.79 -0.11 0.21 0.00 0.00 175.17 176.49 1rdu n LEU 13 N 0.38 0.64 -2.14 1.23 -0.00 -1.26 -2.35 117.00 113.49 1rdu n LEU 13 Ca -0.17 0.57 -0.28 0.00 -0.00 0.00 0.00 56.01 56.13 1rdu n LEU 13 Cb 0.60 -0.38 0.10 0.00 -0.00 0.00 0.00 43.42 43.74 1rdu n LEU 13 CO 0.24 -0.18 1.12 -1.54 -0.00 0.00 0.00 177.39 177.03 1rdu n SER 14 N -2.11 6.04 -4.86 1.96 3.41 -1.26 -1.28 113.62 115.53 1rdu n SER 14 Ca 0.05 -3.75 -0.27 0.00 -0.26 0.00 0.00 58.87 54.64 1rdu n SER 14 Cb 0.39 -0.81 0.09 0.00 -0.26 0.00 0.00 64.21 63.62 1rdu n SER 14 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rdu s SER 15 N -2.14 4.55 0.11 4.04 1.04 -0.99 -4.68 113.70 115.63 1rdu s SER 15 Ca 0.59 0.57 -0.30 0.00 0.48 0.00 0.00 55.95 57.29 1rdu s SER 15 Cb 0.48 -1.10 -0.06 0.00 0.10 0.00 0.00 66.02 65.43 1rdu s SER 15 CO 0.02 -1.82 1.01 -0.04 0.98 0.00 0.00 173.24 173.39 1rdu s MET 16 N -5.44 4.64 0.08 4.02 -1.94 -1.26 -0.04 119.30 119.36 1rdu s MET 16 Ca 0.62 1.53 -0.30 0.00 -1.71 0.00 0.00 55.69 55.83 1rdu s MET 16 Cb -0.10 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.33 1rdu s MET 16 CO 0.47 0.13 1.04 0.08 -0.01 0.00 0.00 175.02 176.72 1rdu s VAL 17 N 0.10 4.43 0.48 -6.03 1.01 -0.36 -1.78 120.40 118.24 1rdu s VAL 17 Ca 0.49 1.87 -0.19 0.00 0.00 0.00 0.00 61.98 64.15 1rdu s VAL 17 Cb -0.25 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 1rdu s VAL 17 CO 0.31 0.22 0.97 -0.55 0.00 0.00 0.00 175.10 176.05 1rdu s SER 18 N 0.52 6.74 -0.26 3.32 0.15 0.80 -4.68 113.70 120.28 1rdu s SER 18 Ca 0.51 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.81 1rdu s SER 18 Cb -0.25 -2.53 0.23 0.00 -1.71 0.00 0.00 66.02 61.77 1rdu s SER 18 CO 0.30 -0.50 1.80 -0.67 1.20 0.00 0.00 173.24 175.37 1rdu n ASP 19 N -1.13 5.30 0.00 5.45 -0.08 -1.26 -4.63 116.55 120.20 1rdu n ASP 19 Ca 0.07 -2.90 0.00 0.00 -1.51 0.00 0.00 54.79 50.45 1rdu n ASP 19 Cb 0.54 -0.92 0.00 0.00 2.34 0.00 0.00 41.12 43.08 1rdu n ASP 19 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1rdu n ARG 20 N 0.21 0.00 0.42 -0.67 1.85 -1.26 -4.34 116.66 112.88 1rdu n ARG 20 Ca 0.27 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.93 1rdu n ARG 20 Cb 0.73 0.00 -0.10 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 -1.27 -0.00 2.89 3.57 -1.29 -3.00 116.94 117.84 1rdu h PHE 21 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1rdu h PHE 21 Cb 0.00 0.45 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1rdu h PHE 21 CO 0.00 -0.71 0.00 0.00 -2.23 0.00 0.00 178.31 175.37 1rdu n ALA 22 N -2.71 2.67 -3.15 2.41 0.00 -1.26 -1.96 120.51 116.51 1rdu n ALA 22 Ca -0.14 -0.18 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 1rdu n ALA 22 Cb 0.49 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.93 2.26 -4.52 0.00 1.74 -1.22 -4.61 116.66 109.37 1rdu n ARG 23 Ca 0.21 -4.29 -0.24 0.00 -0.77 0.00 0.00 57.85 52.75 1rdu n ARG 23 Cb 0.10 -2.00 -0.11 0.00 -1.02 0.00 0.00 32.46 29.43 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 -2.70 2.73 -0.02 7.54 0.00 -0.83 -4.67 121.76 123.81 1rdu s ALA 24 Ca 0.43 -2.15 0.02 0.00 0.00 0.00 0.00 51.96 50.26 1rdu s ALA 24 Cb 0.25 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1rdu s ALA 24 CO -0.09 -0.18 0.01 0.39 0.00 0.00 0.00 175.76 175.89 1rdu n GLU 25 N -0.80 3.44 -4.51 0.00 1.02 -0.64 -4.23 120.64 114.92 1rdu n GLU 25 Ca -0.04 -0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.86 1rdu n GLU 25 Cb 0.66 -1.06 -0.14 0.00 -0.02 0.00 0.00 31.44 30.88 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 -2.06 1.62 -0.42 -0.32 1.51 -0.69 -0.36 117.35 116.63 1rdu s TYR 26 Ca -0.01 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1rdu s TYR 26 Cb 0.01 -0.96 0.14 0.00 -0.11 0.00 0.00 41.96 41.04 1rdu s TYR 26 CO 0.10 0.09 0.24 -0.06 -1.11 0.00 0.00 175.55 174.80 1rdu s PHE 27 N -0.86 1.60 -0.54 2.71 0.40 -1.25 0.00 117.98 120.04 1rdu s PHE 27 Ca 0.05 -2.20 -0.28 0.00 -0.60 0.00 0.00 56.93 53.90 1rdu s PHE 27 Cb -0.09 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.90 1rdu s PHE 27 CO 0.02 -0.79 1.23 0.42 0.70 0.00 0.00 175.22 176.79 1rdu s ILE 28 N 0.50 4.02 -0.47 0.64 -1.09 -0.83 -2.99 121.20 120.99 1rdu s ILE 28 Ca 0.19 0.95 -0.19 0.00 -2.23 0.00 0.00 60.65 59.37 1rdu s ILE 28 Cb -0.22 -4.62 0.04 0.00 -1.58 0.00 0.00 42.46 36.08 1rdu s ILE 28 CO -0.01 -1.20 0.58 -0.63 -1.23 0.00 0.00 174.94 172.45 1rdu s ILE 29 N 5.03 4.92 -0.07 2.92 1.01 -0.10 -0.71 121.20 134.19 1rdu s ILE 29 Ca 0.47 -0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 1rdu s ILE 29 Cb -0.08 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1rdu s ILE 29 CO 0.27 -0.65 0.55 -0.47 0.00 0.00 0.00 174.94 174.65 1rdu s TYR 30 N 2.55 3.58 -0.41 3.97 5.04 -0.22 -1.67 117.35 130.19 1rdu s TYR 30 Ca 0.16 1.05 -0.14 0.00 -2.44 0.00 0.00 57.07 55.70 1rdu s TYR 30 Cb -0.17 -2.61 0.03 0.00 0.35 0.00 0.00 41.96 39.55 1rdu s TYR 30 CO 0.14 0.21 0.30 0.34 -1.34 0.00 0.00 175.55 175.20 1rdu s ASP 31 N 0.40 6.05 -0.66 4.32 -1.08 -0.22 -1.72 116.67 123.76 1rdu s ASP 31 Ca 0.30 -0.98 -0.07 0.00 -0.52 0.00 0.00 52.55 51.28 1rdu s ASP 31 Cb -0.16 -2.14 -0.14 0.00 -1.46 0.00 0.00 42.92 39.01 1rdu s ASP 31 CO 0.14 -0.47 3.22 0.35 0.52 0.00 0.00 175.17 178.94 1rdu n THR 32 N 5.14 3.63 0.00 1.71 -2.24 -0.24 -1.75 114.28 120.53 1rdu n THR 32 Ca -0.11 -2.24 0.00 0.00 -2.27 0.00 0.00 64.05 59.43 1rdu n THR 32 Cb 0.46 -2.15 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 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 2.57 5.44 -1.98 -0.78 1.02 -1.26 -0.10 120.64 125.54 1rdu n GLU 33 Ca 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.69 1rdu n GLU 33 Cb 0.61 -0.48 0.03 0.00 -0.02 0.00 0.00 31.44 31.58 1rdu n GLU 33 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1rdu n SER 34 N -0.03 -0.05 0.00 1.62 3.41 -1.15 -5.00 113.62 112.42 1rdu n SER 34 Ca 0.00 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 1rdu n SER 34 Cb 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1rdu n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rdu n GLY 35 N -0.43 0.00 3.73 5.00 0.00 -0.72 -4.94 105.19 107.84 1rdu n GLY 35 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.49 4.44 0.11 1.61 -0.87 -1.25 -4.81 114.94 112.69 1rdu s ASN 36 Ca 0.00 2.38 0.02 0.00 -1.57 0.00 0.00 52.86 53.69 1rdu s ASN 36 Cb 0.00 -2.59 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 1rdu s ASN 36 CO 0.00 -2.10 -0.06 -0.69 -2.57 0.00 0.00 177.10 171.68 1rdu s VAL 37 N -1.86 0.72 -0.14 1.60 1.01 -1.26 -1.06 120.40 119.41 1rdu s VAL 37 Ca 0.76 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 1rdu s VAL 37 Cb -0.30 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1rdu s VAL 37 CO 0.42 -0.80 0.36 -0.70 0.00 0.00 0.00 175.10 174.38 1rdu s GLU 38 N -3.84 0.39 -0.34 2.72 2.56 -0.67 -4.95 118.70 114.57 1rdu s GLU 38 Ca 0.14 0.56 -0.12 0.00 0.00 0.00 0.00 54.97 55.56 1rdu s GLU 38 Cb 0.05 0.12 -0.01 0.00 2.00 0.00 0.00 34.13 36.30 1rdu s GLU 38 CO -0.03 -0.08 0.21 0.08 -0.56 0.00 0.00 175.26 174.87 1rdu s VAL 39 N 0.55 4.96 0.60 3.70 1.01 -1.26 -0.93 120.40 129.03 1rdu s VAL 39 Ca -0.03 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 1rdu s VAL 39 Cb -0.05 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1rdu s VAL 39 CO -0.03 -0.02 1.03 -0.69 0.00 0.00 0.00 175.10 175.39 1rdu s VAL 40 N 1.66 4.48 -0.16 2.92 1.01 -1.16 -4.98 120.40 124.17 1rdu s VAL 40 Ca 0.05 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.98 1rdu s VAL 40 Cb -0.18 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1rdu s VAL 40 CO 0.08 -0.93 -0.21 -0.70 0.00 0.00 0.00 175.10 173.35 1rdu s GLU 41 N -4.78 2.99 -0.18 2.72 2.12 -1.26 -3.76 118.70 116.54 1rdu s GLU 41 Ca 0.57 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 55.04 1rdu s GLU 41 Cb -0.12 -2.50 0.05 0.00 0.26 0.00 0.00 34.13 31.83 1rdu s GLU 41 CO 0.47 -0.13 0.02 1.21 -0.54 0.00 0.00 175.26 176.29 1rdu s ASN 42 N 1.09 2.78 -1.33 -1.70 3.04 0.51 -5.02 114.94 114.30 1rdu s ASN 42 Ca -0.00 -0.73 -0.14 0.00 0.04 0.00 0.00 52.86 52.02 1rdu s ASN 42 Cb -0.14 -0.63 0.10 0.00 -1.54 0.00 0.00 41.25 39.04 1rdu s ASN 42 CO -0.08 -0.28 1.86 0.35 -3.04 0.00 0.00 177.10 175.91 1rdu n THR 43 N 5.03 3.93 -3.43 -5.21 -2.24 -1.26 -4.33 114.28 106.77 1rdu n THR 43 Ca -0.09 -3.94 -0.42 0.00 -2.27 0.00 0.00 64.05 57.34 1rdu n THR 43 Cb 0.47 -2.45 -0.10 0.00 -2.10 0.00 0.00 70.33 66.15 1rdu n THR 43 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1rdu s ILE 44 N 2.68 5.20 0.00 2.28 -1.09 -1.26 -5.04 121.20 123.96 1rdu s ILE 44 Ca 0.47 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1rdu s ILE 44 Cb 0.07 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1rdu s ILE 44 CO -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 174.94 173.52 1rdu n ALA 45 N 5.32 0.00 -2.53 9.38 0.00 -1.26 -4.54 120.51 126.88 1rdu n ALA 45 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 1rdu n ALA 45 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 1rdu n ALA 45 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rdu s ASP 46 N -0.30 6.47 0.24 0.00 -4.77 -1.26 -4.86 116.67 112.18 1rdu s ASP 46 Ca 0.00 0.41 0.12 0.00 -3.30 0.00 0.00 52.55 49.77 1rdu s ASP 46 Cb 0.00 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.23 1rdu s ASP 46 CO 0.00 -1.40 -0.21 0.00 0.70 0.00 0.00 175.17 174.26 1rdu s ALA 47 N 4.96 2.68 -0.04 2.11 0.00 -1.26 -5.08 121.76 125.12 1rdu s ALA 47 Ca 0.50 -1.75 -0.25 0.00 0.00 0.00 0.00 51.96 50.45 1rdu s ALA 47 Cb -0.09 -0.33 -0.21 0.00 0.00 0.00 0.00 23.12 22.49 1rdu s ALA 47 CO 0.30 0.35 1.13 0.45 0.00 0.00 0.00 175.76 177.99 1rdu h HIS 48 N 2.69 0.11 0.00 0.00 3.86 -2.02 -3.49 115.15 116.31 1rdu h HIS 48 Ca -0.43 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1rdu h HIS 48 Cb 1.23 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1rdu h HIS 48 CO 0.75 0.72 0.00 0.41 0.86 0.00 0.00 177.93 180.67 1rdu n GLY 49 N 0.67 -0.50 2.45 2.45 0.00 -1.26 -4.89 105.19 104.11 1rdu n GLY 49 Ca -0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00-11.69 -3.22 2.61 -1.04 -1.26 -4.95 114.28 94.73 1rdu n THR 50 Ca 0.00 2.43 0.04 0.00 -2.04 0.00 0.00 64.05 64.48 1rdu n THR 50 Cb 0.00 -6.20 -0.01 0.00 -1.82 0.00 0.00 70.33 62.30 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 1.46 -1.66 0.00 3.41 0.00 -1.26 -4.85 105.19 102.29 1rdu n GLY 51 Ca -0.37 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1rdu n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rdu n PRO 52 N -1.78 0.05 0.06 1.61 -0.04 -1.26 -4.80 135.00 128.84 1rdu n PRO 52 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1rdu n PRO 52 Cb 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 1rdu n PRO 52 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1rdu n LYS 53 N -0.83 0.00 0.04 0.54 2.85 -1.26 -4.89 118.16 114.61 1rdu n LYS 53 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1rdu n LYS 53 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 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 0.81 0.19 0.58 3.04 -1.96 -3.37 116.25 115.54 1rdu h VAL 54 Ca 0.00 -2.46 -0.01 0.00 -1.01 0.00 0.00 66.70 63.22 1rdu h VAL 54 Cb 0.00 2.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1rdu h VAL 54 CO 0.00 0.87 -0.09 0.58 -1.01 0.00 0.00 177.57 177.92 1rdu h VAL 55 N 0.09 0.84 -0.80 1.51 2.07 -1.95 -0.86 116.25 117.14 1rdu h VAL 55 Ca -0.37 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 67.17 1rdu h VAL 55 Cb 2.07 0.92 -0.15 0.00 -1.52 0.00 0.00 31.29 32.61 1rdu h VAL 55 CO 0.14 0.03 -0.19 1.56 0.02 0.00 0.00 177.57 179.13 1rdu h GLN 56 N -0.33 0.00 0.47 1.57 1.08 -1.91 -0.16 115.11 115.84 1rdu h GLN 56 Ca -0.03 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1rdu h GLN 56 Cb 0.25 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1rdu h GLN 56 CO 0.04 0.00 -0.27 0.77 -0.95 0.00 0.00 178.83 178.43 1rdu h SER 57 N 0.00 -0.67 -0.92 1.46 0.02 -1.67 -3.08 113.55 108.70 1rdu h SER 57 Ca 0.39 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1rdu h SER 57 Cb 0.60 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1rdu h SER 57 CO -0.82 -0.43 0.58 -0.07 -1.14 0.00 0.00 176.83 174.95 1rdu h LEU 58 N -0.69 1.08 -1.62 5.07 3.38 0.25 0.07 115.31 122.86 1rdu h LEU 58 Ca -0.06 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1rdu h LEU 58 Cb 0.54 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1rdu h LEU 58 CO 0.08 0.81 0.37 0.58 0.09 0.00 0.00 178.44 180.37 1rdu h VAL 59 N 1.26 0.96 -0.10 1.22 2.07 -1.20 0.32 116.25 120.77 1rdu h VAL 59 Ca 0.33 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1rdu h VAL 59 Cb -0.09 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1rdu h VAL 59 CO -0.07 0.08 0.07 -1.28 0.02 0.00 0.00 177.57 176.39 1rdu h SER 60 N 0.46 0.10 -0.99 0.57 0.87 -0.88 -2.41 113.55 111.27 1rdu h SER 60 Ca 0.24 -0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 60.16 1rdu h SER 60 Cb 0.37 -0.03 -0.30 0.00 -0.44 0.00 0.00 62.40 62.01 1rdu h SER 60 CO -0.07 0.07 0.78 0.29 -0.53 0.00 0.00 176.83 177.38 1rdu n LYS 61 N -4.52 2.62 -1.98 2.24 4.01 0.09 -4.91 118.16 115.70 1rdu n LYS 61 Ca -0.01 -3.25 -0.14 0.00 -0.51 0.00 0.00 58.31 54.39 1rdu n LYS 61 Cb 0.09 -2.26 -0.03 0.00 -0.51 0.00 0.00 35.03 32.32 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 -0.96 0.34 3.55 0.72 0.00 -0.91 -4.87 105.19 103.06 1rdu n GLY 62 Ca 0.62 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.50 3.56 -0.50 1.61 1.01 -1.15 -4.18 120.40 118.25 1rdu s VAL 63 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1rdu s VAL 63 Cb 0.00 -4.40 0.50 0.00 0.00 0.00 0.00 36.38 32.48 1rdu s VAL 63 CO 0.00 -1.34 1.77 -0.62 0.00 0.00 0.00 175.10 174.91 1rdu n GLU 64 N 9.15 2.68 -3.51 2.72 1.02 -1.09 -4.62 120.64 126.99 1rdu n GLU 64 Ca 0.20 -3.41 -0.11 0.00 -0.02 0.00 0.00 57.16 53.82 1rdu n GLU 64 Cb 0.50 -2.20 -0.03 0.00 -0.02 0.00 0.00 31.44 29.69 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 -3.61 -0.44 -0.17 -0.32 1.51 -1.04 -0.57 117.35 112.70 1rdu s TYR 65 Ca 0.58 0.49 -0.28 0.00 -1.01 0.00 0.00 57.07 56.85 1rdu s TYR 65 Cb 0.47 0.50 0.10 0.00 -0.11 0.00 0.00 41.96 42.92 1rdu s TYR 65 CO 0.02 -0.57 0.87 -1.17 -1.11 0.00 0.00 175.55 173.59 1rdu s LEU 66 N -1.99 -0.54 -0.30 -1.29 2.96 0.07 -2.18 118.68 115.42 1rdu s LEU 66 Ca -0.00 0.78 0.03 0.00 -0.22 0.00 0.00 54.13 54.72 1rdu s LEU 66 Cb -0.01 2.17 0.08 0.00 0.50 0.00 0.00 46.19 48.93 1rdu s LEU 66 CO -0.04 -0.36 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.97 1rdu s ILE 67 N -0.58 2.14 -0.14 6.68 1.01 -1.05 -0.61 121.20 128.65 1rdu s ILE 67 Ca -0.03 -1.94 -0.10 0.00 0.00 0.00 0.00 60.65 58.58 1rdu s ILE 67 Cb -0.02 -2.42 0.05 0.00 0.01 0.00 0.00 42.46 40.07 1rdu s ILE 67 CO 0.02 -0.32 0.36 0.00 0.00 0.00 0.00 174.94 175.00 1rdu s ALA 68 N 1.04 -0.90 0.26 9.38 0.00 0.50 -4.11 121.76 127.93 1rdu s ALA 68 Ca 0.01 1.21 0.27 0.00 0.00 0.00 0.00 51.96 53.45 1rdu s ALA 68 Cb -0.19 -0.73 1.21 0.00 0.00 0.00 0.00 23.12 23.41 1rdu s ALA 68 CO -0.07 -0.21 1.95 0.66 0.00 0.00 0.00 175.76 178.09 1rdu h SER 69 N 6.44 0.00 -1.35 0.00 4.64 -1.78 -3.32 113.55 118.18 1rdu h SER 69 Ca -0.33 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.22 1rdu h SER 69 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1rdu h SER 69 CO 0.30 0.16 0.59 -3.20 -0.87 0.00 0.00 176.83 173.81 1rdu n ASN 70 N -3.45 -0.71 -3.92 4.97 2.85 -1.26 -4.77 115.26 108.97 1rdu n ASN 70 Ca -0.01 -1.11 -0.13 0.00 -0.11 0.00 0.00 54.58 53.22 1rdu n ASN 70 Cb 0.33 1.09 -0.14 0.00 1.24 0.00 0.00 39.78 42.30 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 -2.05 0.21 -0.62 3.44 0.11 -1.26 -0.85 120.40 119.37 1rdu s VAL 71 Ca 0.19 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 59.11 1rdu s VAL 71 Cb -0.00 -0.20 0.08 0.00 -1.53 0.00 0.00 36.38 34.72 1rdu s VAL 71 CO -0.01 -0.00 1.20 0.61 -3.33 0.00 0.00 175.10 173.57 1rdu n GLY 72 N 2.85 -0.60 0.00 6.54 0.00 -1.26 -4.80 105.19 107.91 1rdu n GLY 72 Ca -0.14 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1rdu n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rdu n ARG 73 N -1.75 0.00 -2.01 1.61 1.74 -1.26 -4.73 116.66 110.26 1rdu n ARG 73 Ca -0.01 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 1rdu n ARG 73 Cb 0.06 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.48 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 6.64 0.00 0.55 -0.87 -1.26 -4.29 114.94 111.71 1rdu s ASN 74 Ca 0.00 2.74 0.00 0.00 -1.57 0.00 0.00 52.86 54.03 1rdu s ASN 74 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1rdu s ASN 74 CO 0.00 -0.68 0.00 0.00 -2.57 0.00 0.00 177.10 173.85 1rdu n ALA 75 N 1.54 0.00 -0.30 0.60 0.00 -1.26 -4.82 120.51 116.27 1rdu n ALA 75 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 1rdu n ALA 75 Cb 0.40 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.97 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 0.99 -0.82 0.00 3.57 -1.95 -0.43 116.94 118.30 1rdu h PHE 76 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1rdu h PHE 76 Cb 0.00 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.38 1rdu h PHE 76 CO 0.00 0.55 0.39 0.93 -2.23 0.00 0.00 178.31 177.95 1rdu h GLU 77 N 1.02 1.18 0.00 1.11 5.08 -1.96 -1.76 114.58 119.24 1rdu h GLU 77 Ca 0.34 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1rdu h GLU 77 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1rdu h GLU 77 CO -0.13 0.90 -0.29 1.15 -1.00 0.00 0.00 179.01 179.64 1rdu h THR 78 N 1.16 0.60 0.06 1.13 2.02 -1.57 -1.70 112.91 114.62 1rdu h THR 78 Ca 0.28 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1rdu h THR 78 Cb 0.12 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1rdu h THR 78 CO -0.04 0.28 -0.03 -0.07 0.37 0.00 0.00 175.52 176.04 1rdu h LEU 79 N 0.00 -0.06 -1.23 2.58 3.38 -0.30 -2.27 115.31 117.40 1rdu h LEU 79 Ca -0.00 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 1rdu h LEU 79 Cb 0.96 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1rdu h LEU 79 CO 0.04 0.46 -0.36 0.07 0.09 0.00 0.00 178.44 178.74 1rdu h LYS 80 N -0.61 0.05 0.23 1.13 2.10 -1.53 0.30 116.57 118.24 1rdu h LYS 80 Ca -0.01 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1rdu h LYS 80 Cb 0.53 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.82 1rdu h LYS 80 CO 0.01 0.40 -0.50 0.00 -2.00 0.00 0.00 179.45 177.36 1rdu h ALA 81 N 1.60 -1.03 -0.28 0.07 0.00 -1.27 -2.79 119.26 115.56 1rdu h ALA 81 Ca 0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1rdu h ALA 81 Cb 0.65 0.83 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 1rdu h ALA 81 CO 0.05 -1.12 0.22 0.00 0.00 0.00 0.00 179.25 178.40 1rdu n ALA 82 N -2.87 4.24 -2.18 0.00 0.00 -0.86 -4.81 120.51 114.04 1rdu n ALA 82 Ca -0.09 -0.91 -0.07 0.00 0.00 0.00 0.00 53.44 52.37 1rdu n ALA 82 Cb 0.41 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 0.58 -0.23 3.67 0.00 0.00 -1.05 -4.71 105.19 103.44 1rdu n GLY 83 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.18 4.65 0.53 1.61 1.01 0.07 -4.76 120.40 121.33 1rdu s VAL 84 Ca 0.00 1.97 -0.17 0.00 0.00 0.00 0.00 61.98 63.78 1rdu s VAL 84 Cb 0.00 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 1rdu s VAL 84 CO 0.00 -0.11 1.01 -0.75 0.00 0.00 0.00 175.10 175.25 1rdu s LYS 85 N 2.82 3.77 -0.13 2.72 2.47 0.26 -4.56 119.74 127.09 1rdu s LYS 85 Ca 0.47 1.10 -0.04 0.00 -1.56 0.00 0.00 55.97 55.94 1rdu s LYS 85 Cb -0.17 -2.10 0.06 0.00 -1.46 0.00 0.00 37.83 34.16 1rdu s LYS 85 CO 0.11 -0.43 0.19 0.08 0.16 0.00 0.00 175.35 175.46 1rdu s VAL 86 N -2.45 -0.29 0.29 4.02 1.01 -1.26 -0.75 120.40 120.98 1rdu s VAL 86 Ca 0.62 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1rdu s VAL 86 Cb -0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1rdu s VAL 86 CO 0.30 0.01 0.49 -0.31 0.00 0.00 0.00 175.10 175.59 1rdu s TYR 87 N 2.31 3.49 0.51 5.22 1.51 0.22 -0.35 117.35 130.26 1rdu s TYR 87 Ca 0.04 0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 56.27 1rdu s TYR 87 Cb -0.13 -1.87 -0.08 0.00 -0.11 0.00 0.00 41.96 39.77 1rdu s TYR 87 CO -0.08 0.23 0.99 0.50 -1.11 0.00 0.00 175.55 176.08 1rdu s ARG 88 N -3.94 3.91 0.22 -0.62 6.06 0.52 -0.37 118.95 124.73 1rdu s ARG 88 Ca 0.39 1.01 0.02 0.00 -2.50 0.00 0.00 55.73 54.65 1rdu s ARG 88 Cb -0.10 -2.13 -0.05 0.00 0.06 0.00 0.00 34.95 32.73 1rdu s ARG 88 CO 0.33 -0.30 0.05 -0.59 -2.50 0.00 0.00 175.30 172.28 1rdu s PHE 89 N -2.53 1.41 -0.41 5.12 -0.71 -1.25 -4.05 117.98 115.55 1rdu s PHE 89 Ca 0.60 -1.09 0.05 0.00 -1.04 0.00 0.00 56.93 55.45 1rdu s PHE 89 Cb -0.11 -0.82 0.19 0.00 -1.21 0.00 0.00 43.02 41.08 1rdu s PHE 89 CO 0.29 -0.26 0.42 -0.85 -1.34 0.00 0.00 175.22 173.49 1rdu n GLU 90 N -0.37 0.34 -2.09 1.99 0.28 -1.26 -4.17 120.64 115.36 1rdu n GLU 90 Ca -0.03 -3.08 -0.01 0.00 -0.16 0.00 0.00 57.16 53.89 1rdu n GLU 90 Cb 0.65 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.98 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 2.48 -3.12 3.62 -1.84 0.00 -1.26 -5.09 105.19 99.98 1rdu n GLY 91 Ca 0.27 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 1rdu n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rdu s GLY 92 N -0.94 -0.37 0.81 -0.02 0.00 -1.26 -5.09 107.32 100.45 1rdu s GLY 92 Ca 0.02 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 44.84 1rdu s GLY 92 CO 0.37 0.07 1.17 -0.51 0.00 0.00 0.00 173.10 174.21 1rdu s THR 93 N -3.70 2.09 0.29 0.90 -4.23 -1.26 -1.23 115.64 108.50 1rdu s THR 93 Ca 0.06 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1rdu s THR 93 Cb -0.03 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 71.08 1rdu s THR 93 CO -0.04 -0.04 1.74 0.58 -0.54 0.00 0.00 174.62 176.32 1rdu h VAL 94 N -1.07 0.62 -0.99 2.29 2.07 -0.43 -0.27 116.25 118.48 1rdu h VAL 94 Ca -0.46 -0.20 0.16 0.00 0.82 0.00 0.00 66.70 67.02 1rdu h VAL 94 Cb 1.33 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 1rdu h VAL 94 CO 0.66 0.11 0.62 -0.61 0.02 0.00 0.00 177.57 178.36 1rdu h GLN 95 N 0.58 0.82 -0.22 1.57 4.15 -1.48 -2.69 115.11 117.84 1rdu h GLN 95 Ca 0.54 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.88 1rdu h GLN 95 Cb 0.89 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1rdu h GLN 95 CO -0.43 0.54 0.02 0.93 -1.93 0.00 0.00 178.83 177.96 1rdu h GLU 96 N 0.84 0.37 -1.10 1.69 4.39 -1.37 0.22 114.58 119.63 1rdu h GLU 96 Ca 0.53 -0.11 0.30 0.00 0.34 0.00 0.00 59.36 60.42 1rdu h GLU 96 Cb 0.73 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.25 1rdu h GLU 96 CO -0.31 0.54 0.73 0.00 -1.16 0.00 0.00 179.01 178.81 1rdu h ALA 97 N 0.82 2.52 0.00 3.43 0.00 -1.39 0.22 119.26 124.85 1rdu h ALA 97 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1rdu h ALA 97 Cb 0.36 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rdu h ALA 97 CO 0.01 -0.92 -0.37 0.82 0.00 0.00 0.00 179.25 178.78 1rdu h ILE 98 N 0.26 0.21 -0.47 0.00 1.08 -1.18 -2.97 117.51 114.44 1rdu h ILE 98 Ca 0.60 -1.20 0.14 0.00 -0.39 0.00 0.00 64.86 64.00 1rdu h ILE 98 Cb 1.79 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 1rdu h ILE 98 CO -0.22 0.07 0.36 0.44 -0.69 0.00 0.00 178.15 178.11 1rdu h ASP 99 N -1.00 0.00 0.34 1.72 5.19 -0.46 0.45 116.42 122.65 1rdu h ASP 99 Ca -0.03 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1rdu h ASP 99 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1rdu h ASP 99 CO -0.02 0.00 -0.16 0.00 -3.12 0.00 0.00 179.24 175.94 1rdu h ALA 100 N 1.72 -0.47 -0.31 3.45 0.00 -0.71 -3.14 119.26 119.80 1rdu h ALA 100 Ca 0.22 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1rdu h ALA 100 Cb 0.94 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1rdu h ALA 100 CO -0.00 -0.44 0.04 0.35 0.00 0.00 0.00 179.25 179.20 1rdu h PHE 101 N -1.07 0.07 -0.02 0.00 3.57 -0.94 0.37 116.94 118.91 1rdu h PHE 101 Ca -0.05 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 1rdu h PHE 101 Cb 0.35 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1rdu h PHE 101 CO 0.00 -0.00 -0.62 0.66 -2.23 0.00 0.00 178.31 176.13 1rdu h SER 102 N 0.15 0.09 -0.88 0.41 4.64 -0.36 -1.08 113.55 116.52 1rdu h SER 102 Ca 0.15 -0.05 -0.55 0.00 -0.47 0.00 0.00 61.79 60.86 1rdu h SER 102 Cb 0.17 -0.03 -0.29 0.00 -0.31 0.00 0.00 62.40 61.94 1rdu h SER 102 CO -0.21 0.68 0.46 -0.62 -0.87 0.00 0.00 176.83 176.27 1rdu n GLU 103 N -3.83 2.58 -0.43 4.77 -0.58 -1.15 -4.96 120.64 117.05 1rdu n GLU 103 Ca -0.02 -3.32 0.00 0.00 -0.42 0.00 0.00 57.16 53.40 1rdu n GLU 103 Cb 0.62 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 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 -0.98 0.27 1.43 0.62 0.00 -0.41 -4.91 105.19 101.20 1rdu n GLY 104 Ca 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.00 1.01 -1.32 1.61 1.74 0.12 -4.78 116.66 113.04 1rdu n ARG 105 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1rdu n ARG 105 Cb 0.00 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 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 1.33 0.00 -4.02 0.55 4.77 -1.26 -4.79 117.00 113.58 1rdu n LEU 106 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1rdu n LEU 106 Cb 0.50 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1rdu n LEU 106 CO 0.00 0.00 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.06 1rdu s GLU 107 N -0.98 0.43 -0.70 3.23 2.02 -1.26 -5.00 118.70 116.44 1rdu s GLU 107 Ca 0.00 -0.61 -0.27 0.00 0.02 0.00 0.00 54.97 54.11 1rdu s GLU 107 Cb 0.00 -0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.07 1rdu s GLU 107 CO 0.00 0.03 1.23 -2.00 0.02 0.00 0.00 175.26 174.54 1rdu s GLU 108 N -1.29 3.23 -1.10 1.61 2.12 -1.26 -0.36 118.70 121.66 1rdu s GLU 108 Ca -0.09 -0.23 -0.04 0.00 0.36 0.00 0.00 54.97 54.97 1rdu s GLU 108 Cb -0.08 -4.16 0.29 0.00 0.26 0.00 0.00 34.13 30.44 1rdu s GLU 108 CO -0.00 -2.03 1.64 -0.11 -0.54 0.00 0.00 175.26 174.22 1rdu n LEU 109 N 9.03 6.73 -2.09 2.70 7.94 0.53 -4.82 117.00 137.02 1rdu n LEU 109 Ca 0.03 -5.18 -0.27 0.00 -1.11 0.00 0.00 56.01 49.49 1rdu n LEU 109 Cb 0.49 -1.28 0.10 0.00 0.53 0.00 0.00 43.42 43.26 1rdu n LEU 109 CO 0.70 1.75 1.07 0.35 -1.11 0.00 0.00 177.39 180.16 1rdu n THR 110 N 1.26 3.19 -2.44 1.96 -2.24 -1.24 -4.54 114.28 110.23 1rdu n THR 110 Ca 0.33 -2.98 -0.02 0.00 -2.27 0.00 0.00 64.05 59.12 1rdu n THR 110 Cb 0.32 -0.91 0.05 0.00 -2.10 0.00 0.00 70.33 67.69 1rdu n THR 110 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rdu n THR 111 N -0.95 0.00 -4.48 4.28 -2.24 -1.26 -5.06 114.28 104.57 1rdu n THR 111 Ca 0.55 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 61.63 1rdu n THR 111 Cb 0.96 0.69 -0.11 0.00 -2.10 0.00 0.00 70.33 69.78 1rdu n THR 111 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1rdu s PHE 112 N 0.06 2.09 0.00 4.78 -0.71 -1.26 -5.15 117.98 117.78 1rdu s PHE 112 Ca 0.04 -0.78 0.00 0.00 -1.04 0.00 0.00 56.93 55.15 1rdu s PHE 112 Cb 0.21 -1.32 0.00 0.00 -1.21 0.00 0.00 43.02 40.70 1rdu s PHE 112 CO -0.06 0.23 0.00 0.25 -1.34 0.00 0.00 175.22 174.29 1rdu n THR 113 N -0.71 0.00 -4.36 -4.49 -2.24 -1.26 -5.00 114.28 96.22 1rdu n THR 113 Ca -0.04 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.51 1rdu n THR 113 Cb 0.65 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.77 1rdu n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rdu s ARG 114 N -1.78 1.34 -0.69 -0.78 1.04 -1.26 -4.65 118.95 112.17 1rdu s ARG 114 Ca 0.00 -1.46 -0.01 0.00 -1.04 0.00 0.00 55.73 53.21 1rdu s ARG 114 Cb 0.00 -1.43 0.17 0.00 -2.04 0.00 0.00 34.95 31.66 1rdu s ARG 114 CO 0.00 0.29 0.52 -2.00 -0.04 0.00 0.00 175.30 174.07 1rdu s GLU 115 N -2.88 2.69 0.00 3.89 2.12 -1.26 -5.14 118.70 118.12 1rdu s GLU 115 Ca 0.18 -2.81 0.00 0.00 0.36 0.00 0.00 54.97 52.70 1rdu s GLU 115 Cb -0.06 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.61 1rdu s GLU 115 CO 0.08 -1.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.00