#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 0.80 0.12 -5.12 0.00 -1.26 -4.98 121.76 111.32 1rdu s ALA 2 Ca 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.56 1rdu s ALA 2 Cb 0.00 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1rdu s ALA 2 CO 0.00 -0.51 0.18 1.03 0.00 0.00 0.00 175.76 176.45 1rdu s ARG 3 N -4.05 3.14 0.32 0.00 0.52 -1.22 -1.10 118.95 116.56 1rdu s ARG 3 Ca 0.25 -0.67 0.06 0.00 -0.52 0.00 0.00 55.73 54.84 1rdu s ARG 3 Cb 0.07 -2.83 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 1rdu s ARG 3 CO 0.02 0.54 0.00 0.54 0.02 0.00 0.00 175.30 176.42 1rdu s VAL 4 N -1.62 1.52 0.06 3.52 0.11 -1.00 -0.56 120.40 122.43 1rdu s VAL 4 Ca 0.32 -2.05 0.04 0.00 -2.93 0.00 0.00 61.98 57.36 1rdu s VAL 4 Cb -0.11 -2.69 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 1rdu s VAL 4 CO 0.25 -0.12 -0.12 0.00 -3.33 0.00 0.00 175.10 171.78 1rdu s ALA 5 N -3.07 0.97 -0.11 1.54 0.00 -1.15 -3.37 121.76 116.56 1rdu s ALA 5 Ca 0.33 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 1rdu s ALA 5 Cb 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1rdu s ALA 5 CO 0.14 0.11 -0.08 0.42 0.00 0.00 0.00 175.76 176.36 1rdu s ILE 6 N -1.25 1.03 0.01 0.00 1.09 0.46 -1.29 121.20 121.24 1rdu s ILE 6 Ca -0.04 -0.29 -0.30 0.00 -1.10 0.00 0.00 60.65 58.92 1rdu s ILE 6 Cb -0.10 -1.05 -0.06 0.00 -1.06 0.00 0.00 42.46 40.19 1rdu s ILE 6 CO 0.02 0.37 1.56 -2.16 -0.10 0.00 0.00 174.94 174.62 1rdu s PRO 7 N 1.71 4.22 0.32 2.79 0.04 -1.26 -0.96 135.00 141.87 1rdu s PRO 7 Ca 0.05 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.29 1rdu s PRO 7 Cb -0.13 -3.69 -0.06 0.00 0.04 0.00 0.00 34.50 30.66 1rdu s PRO 7 CO -0.08 -0.71 0.04 0.45 0.04 0.00 0.00 177.00 176.74 1rdu s SER 8 N 2.46 2.49 -0.25 6.66 0.15 0.25 -0.65 113.70 124.81 1rdu s SER 8 Ca 0.70 -1.35 0.13 0.00 0.70 0.00 0.00 55.95 56.14 1rdu s SER 8 Cb -0.35 -0.11 0.47 0.00 -1.71 0.00 0.00 66.02 64.32 1rdu s SER 8 CO 0.29 -0.56 1.17 1.33 1.20 0.00 0.00 173.24 176.67 1rdu n VAL 9 N -0.68 1.94 -3.85 4.45 0.24 -0.71 -2.32 118.33 117.40 1rdu n VAL 9 Ca -0.03 -3.47 -0.01 0.00 -2.04 0.00 0.00 64.34 58.79 1rdu n VAL 9 Cb 0.66 -0.17 0.02 0.00 -1.47 0.00 0.00 33.84 32.88 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 0.62 2.09 7.63 0.00 -1.26 -4.79 105.19 108.84 1rdu n GLY 10 Ca 0.27 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.62 3.35 -3.89 1.61 5.02 -1.26 -4.80 118.16 117.57 1rdu n LYS 11 Ca -0.00 -3.92 -0.11 0.00 -2.02 0.00 0.00 58.31 52.26 1rdu n LYS 11 Cb 0.46 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.09 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 -3.11 0.06 0.03 4.39 1.01 -1.26 -5.03 116.67 112.76 1rdu s ASP 12 Ca 0.55 -0.21 0.03 0.00 0.71 0.00 0.00 52.55 53.63 1rdu s ASP 12 Cb 0.44 0.18 0.17 0.00 1.01 0.00 0.00 42.92 44.72 1rdu s ASP 12 CO 0.03 -0.30 1.10 -0.11 0.21 0.00 0.00 175.17 176.10 1rdu n LEU 13 N 1.72 0.06 -1.81 1.23 -0.00 -1.26 -0.94 117.00 116.00 1rdu n LEU 13 Ca -0.21 0.53 -0.20 0.00 -0.00 0.00 0.00 56.01 56.12 1rdu n LEU 13 Cb 0.56 -0.53 0.10 0.00 -0.00 0.00 0.00 43.42 43.54 1rdu n LEU 13 CO 0.21 -0.53 0.67 -1.54 -0.00 0.00 0.00 177.39 176.20 1rdu n SER 14 N -1.58 4.76 -4.95 1.96 3.41 -1.26 -1.60 113.62 114.37 1rdu n SER 14 Ca 0.00 -3.78 -0.23 0.00 -0.26 0.00 0.00 58.87 54.60 1rdu n SER 14 Cb 0.02 -0.60 0.04 0.00 -0.26 0.00 0.00 64.21 63.41 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 -2.81 5.33 0.25 4.04 0.01 -0.12 -4.78 113.70 115.62 1rdu s SER 15 Ca 0.52 0.28 -0.30 0.00 1.31 0.00 0.00 55.95 57.77 1rdu s SER 15 Cb 0.43 -1.20 -0.09 0.00 0.21 0.00 0.00 66.02 65.37 1rdu s SER 15 CO 0.01 -1.15 1.00 -0.04 0.41 0.00 0.00 173.24 173.47 1rdu s MET 16 N -4.87 4.78 0.20 12.44 -1.94 -1.26 -0.15 119.30 128.50 1rdu s MET 16 Ca 0.56 1.60 -0.30 0.00 -1.71 0.00 0.00 55.69 55.84 1rdu s MET 16 Cb -0.10 -3.25 -0.08 0.00 2.01 0.00 0.00 34.83 33.40 1rdu s MET 16 CO 0.41 0.40 1.19 0.08 -0.01 0.00 0.00 175.02 177.09 1rdu s VAL 17 N -1.13 3.52 0.02 -6.03 1.01 -0.82 -1.73 120.40 115.25 1rdu s VAL 17 Ca 0.42 1.32 -0.22 0.00 0.00 0.00 0.00 61.98 63.50 1rdu s VAL 17 Cb -0.28 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 1rdu s VAL 17 CO 0.35 0.23 0.64 -0.55 0.00 0.00 0.00 175.10 175.77 1rdu s SER 18 N -0.04 7.06 0.00 3.32 0.15 0.18 -4.88 113.70 119.48 1rdu s SER 18 Ca 0.51 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.43 1rdu s SER 18 Cb -0.33 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1rdu s SER 18 CO 0.38 0.11 1.78 0.47 1.20 0.00 0.00 173.24 177.17 1rdu n ASP 19 N 2.57 4.81 -3.11 5.45 9.92 -1.26 -4.53 116.55 130.40 1rdu n ASP 19 Ca -0.06 -2.30 0.05 0.00 -0.53 0.00 0.00 54.79 51.95 1rdu n ASP 19 Cb 0.51 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1rdu n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rdu s ARG 20 N 0.04 0.12 0.14 -1.24 1.70 -1.26 -4.49 118.95 113.96 1rdu s ARG 20 Ca 0.00 0.10 -0.21 0.00 -0.47 0.00 0.00 55.73 55.15 1rdu s ARG 20 Cb 0.00 0.05 0.01 0.00 -0.57 0.00 0.00 34.95 34.44 1rdu s ARG 20 CO 0.00 -0.22 1.66 0.35 -1.08 0.00 0.00 175.30 176.01 1rdu h PHE 21 N 7.03 -0.39 0.00 5.89 3.57 -1.26 -2.25 116.94 129.54 1rdu h PHE 21 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1rdu h PHE 21 Cb 1.18 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1rdu h PHE 21 CO -0.16 -0.22 0.00 0.00 -2.23 0.00 0.00 178.31 175.70 1rdu n ALA 22 N -2.64 2.25 -2.33 2.41 0.00 -1.26 -3.42 120.51 115.52 1rdu n ALA 22 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 1rdu n ALA 22 Cb 0.23 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.18 2.56 -3.96 0.00 5.12 -0.85 -4.88 116.66 113.46 1rdu n ARG 23 Ca 0.13 -3.74 -0.34 0.00 -1.93 0.00 0.00 57.85 51.98 1rdu n ARG 23 Cb 0.15 -1.85 -0.14 0.00 -1.16 0.00 0.00 32.46 29.45 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 -3.46 2.75 0.61 7.54 0.00 -1.21 -4.89 121.76 123.10 1rdu s ALA 24 Ca 0.40 -1.84 0.29 0.00 0.00 0.00 0.00 51.96 50.80 1rdu s ALA 24 Cb 0.37 -1.84 1.50 0.00 0.00 0.00 0.00 23.12 23.15 1rdu s ALA 24 CO -0.01 -1.30 1.90 0.93 0.00 0.00 0.00 175.76 177.29 1rdu h GLU 25 N 7.90 0.00 -4.13 0.00 5.08 -1.68 -3.41 114.58 118.34 1rdu h GLU 25 Ca -0.19 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.99 1rdu h GLU 25 Cb 1.05 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.10 1rdu h GLU 25 CO 0.51 0.00 -0.70 0.71 -1.00 0.00 0.00 179.01 178.53 1rdu s TYR 26 N -4.49 0.37 -0.19 4.33 2.02 -0.98 -0.84 117.35 117.57 1rdu s TYR 26 Ca -0.04 -0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 56.06 1rdu s TYR 26 Cb 0.14 -0.26 0.05 0.00 -0.40 0.00 0.00 41.96 41.49 1rdu s TYR 26 CO 0.48 -0.19 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.18 1rdu s PHE 27 N -1.75 1.70 -0.29 2.71 0.08 -0.14 -0.59 117.98 119.71 1rdu s PHE 27 Ca -0.12 -1.18 -0.19 0.00 0.12 0.00 0.00 56.93 55.56 1rdu s PHE 27 Cb -0.08 -1.30 -0.02 0.00 -0.57 0.00 0.00 43.02 41.05 1rdu s PHE 27 CO -0.02 -0.65 0.56 0.42 -0.10 0.00 0.00 175.22 175.43 1rdu s ILE 28 N 1.63 5.01 -0.42 0.64 -1.09 -0.13 -0.89 121.20 125.95 1rdu s ILE 28 Ca -0.01 0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 59.14 1rdu s ILE 28 Cb -0.17 -3.92 0.11 0.00 -1.58 0.00 0.00 42.46 36.91 1rdu s ILE 28 CO -0.07 -0.05 0.22 -0.63 -1.23 0.00 0.00 174.94 173.18 1rdu s ILE 29 N 2.44 3.46 0.22 2.92 1.01 -0.19 -0.41 121.20 130.66 1rdu s ILE 29 Ca 0.22 -1.98 -0.25 0.00 0.00 0.00 0.00 60.65 58.64 1rdu s ILE 29 Cb -0.15 -3.34 -0.09 0.00 0.01 0.00 0.00 42.46 38.89 1rdu s ILE 29 CO 0.11 -0.69 0.83 -0.47 0.00 0.00 0.00 174.94 174.73 1rdu s TYR 30 N 1.19 3.83 -0.27 3.97 5.04 -1.22 -1.85 117.35 128.04 1rdu s TYR 30 Ca 0.07 1.68 0.01 0.00 -2.44 0.00 0.00 57.07 56.39 1rdu s TYR 30 Cb -0.23 -2.81 0.05 0.00 0.35 0.00 0.00 41.96 39.32 1rdu s TYR 30 CO -0.03 0.41 -0.07 0.34 -1.34 0.00 0.00 175.55 174.85 1rdu s ASP 31 N -1.34 4.53 -0.18 4.32 -1.08 0.33 -2.39 116.67 120.86 1rdu s ASP 31 Ca 0.41 -1.28 -0.02 0.00 -0.52 0.00 0.00 52.55 51.14 1rdu s ASP 31 Cb -0.22 -1.61 0.05 0.00 -1.46 0.00 0.00 42.92 39.68 1rdu s ASP 31 CO 0.26 -0.20 2.38 0.35 0.52 0.00 0.00 175.17 178.48 1rdu n THR 32 N 4.52 2.64 0.00 1.71 -2.24 -0.26 -1.00 114.28 119.65 1rdu n THR 32 Ca -0.14 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 1rdu n THR 32 Cb 0.43 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 1.14 2.58 -2.08 -0.78 -0.58 -1.26 -0.59 120.64 119.08 1rdu n GLU 33 Ca 0.25 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1rdu n GLU 33 Cb 0.60 -0.83 0.04 0.00 -0.57 0.00 0.00 31.44 30.68 1rdu n GLU 33 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1rdu n SER 34 N -1.45 0.33 -1.81 1.62 2.88 -1.18 -4.97 113.62 109.04 1rdu n SER 34 Ca 0.00 -2.05 -0.13 0.00 -1.33 0.00 0.00 58.87 55.36 1rdu n SER 34 Cb 0.31 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 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 -0.36 0.51 3.73 0.46 0.00 -0.17 -4.95 105.19 104.42 1rdu n GLY 35 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.06 4.20 0.13 1.61 0.01 -1.18 -4.74 114.94 112.92 1rdu s ASN 36 Ca 0.00 2.17 0.02 0.00 -0.71 0.00 0.00 52.86 54.33 1rdu s ASN 36 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1rdu s ASN 36 CO 0.00 -2.25 -0.03 -0.69 -1.51 0.00 0.00 177.10 172.63 1rdu s VAL 37 N -2.32 0.63 -0.05 1.60 1.01 -1.26 -0.51 120.40 119.51 1rdu s VAL 37 Ca 0.69 -1.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 1rdu s VAL 37 Cb -0.24 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.26 1rdu s VAL 37 CO 0.48 -0.66 0.09 -0.70 0.00 0.00 0.00 175.10 174.31 1rdu s GLU 38 N -3.89 0.02 -0.53 2.72 2.56 -0.77 -4.95 118.70 113.85 1rdu s GLU 38 Ca 0.18 0.32 -0.21 0.00 0.00 0.00 0.00 54.97 55.26 1rdu s GLU 38 Cb 0.06 -0.25 0.06 0.00 2.00 0.00 0.00 34.13 35.99 1rdu s GLU 38 CO -0.00 -0.20 0.76 0.08 -0.56 0.00 0.00 175.26 175.33 1rdu s VAL 39 N 1.35 4.68 0.31 3.70 1.01 -1.26 -1.02 120.40 129.17 1rdu s VAL 39 Ca -0.06 -0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 1rdu s VAL 39 Cb -0.12 -4.41 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 1rdu s VAL 39 CO -0.04 -0.96 0.98 -0.69 0.00 0.00 0.00 175.10 174.38 1rdu s VAL 40 N 3.16 4.01 -0.20 2.92 1.01 -0.07 -4.94 120.40 126.30 1rdu s VAL 40 Ca 0.20 1.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.93 1rdu s VAL 40 Cb -0.17 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 1rdu s VAL 40 CO 0.14 0.23 -0.09 -0.70 0.00 0.00 0.00 175.10 174.68 1rdu s GLU 41 N -1.86 3.30 -0.09 2.72 2.12 -1.26 -0.96 118.70 122.66 1rdu s GLU 41 Ca 0.49 -0.68 -0.03 0.00 0.36 0.00 0.00 54.97 55.11 1rdu s GLU 41 Cb -0.22 -2.86 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1rdu s GLU 41 CO 0.28 -0.14 0.05 1.21 -0.54 0.00 0.00 175.26 176.12 1rdu s ASN 42 N 1.28 1.66 -0.67 -1.70 3.84 -0.02 -4.98 114.94 114.35 1rdu s ASN 42 Ca 0.03 -0.19 -0.04 0.00 0.21 0.00 0.00 52.86 52.87 1rdu s ASN 42 Cb -0.14 -0.26 0.12 0.00 -0.55 0.00 0.00 41.25 40.42 1rdu s ASN 42 CO -0.04 -0.27 2.57 0.35 -2.79 0.00 0.00 177.10 176.92 1rdu n THR 43 N 5.25 3.78 -0.31 -5.21 -2.24 -1.26 -4.25 114.28 110.04 1rdu n THR 43 Ca -0.05 -3.51 0.00 0.00 -2.27 0.00 0.00 64.05 58.22 1rdu n THR 43 Cb 0.50 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 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 0.77 1.77 -0.97 2.28 -0.00 -1.26 -4.42 119.36 117.53 1rdu n ILE 44 Ca 0.52 -0.42 -0.21 0.00 -0.00 0.00 0.00 62.75 62.64 1rdu n ILE 44 Cb 0.45 -1.41 0.05 0.00 -0.00 0.00 0.00 39.64 38.73 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 1.42 5.38 -2.78 -1.28 0.00 -1.26 -4.90 120.51 117.09 1rdu n ALA 45 Ca 0.00 -2.14 -0.10 0.00 0.00 0.00 0.00 53.44 51.21 1rdu n ALA 45 Cb 0.47 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.39 0.01 0.90 0.00 2.15 -1.26 -5.17 116.67 112.92 1rdu s ASP 46 Ca 0.40 -1.01 -0.14 0.00 0.43 0.00 0.00 52.55 52.23 1rdu s ASP 46 Cb 0.32 0.48 0.15 0.00 -0.30 0.00 0.00 42.92 43.57 1rdu s ASP 46 CO -0.00 -0.98 1.23 0.00 -0.17 0.00 0.00 175.17 175.26 1rdu s ALA 47 N -4.03 2.28 0.11 3.66 0.00 -1.26 -4.99 121.76 117.54 1rdu s ALA 47 Ca 0.24 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1rdu s ALA 47 Cb 0.03 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1rdu s ALA 47 CO 0.06 -2.16 0.00 0.72 0.00 0.00 0.00 175.76 174.38 1rdu n HIS 48 N -3.63 -2.41 0.00 0.00 8.25 -1.26 -5.07 115.22 111.10 1rdu n HIS 48 Ca 0.11 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.16 1rdu n HIS 48 Cb 0.60 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.75 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 -1.43 4.20 0.04 -1.41 0.00 -1.26 -5.01 105.19 100.31 1rdu n GLY 49 Ca 0.00 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.66 0.20 -1.08 2.61 -1.04 -1.26 -5.03 114.28 107.02 1rdu n THR 50 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1rdu n THR 50 Cb 0.00 0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 1.41 -0.55 0.23 3.41 0.00 -1.26 -5.02 105.19 103.41 1rdu n GLY 51 Ca 0.04 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 0.73 0.00 1.61 0.13 -1.96 -3.46 132.00 129.05 1rdu h PRO 52 Ca 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1rdu h PRO 52 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1rdu h PRO 52 CO 0.00 0.72 0.00 1.63 -0.23 0.00 0.00 178.00 180.12 1rdu n LYS 53 N -4.51 0.00 -0.01 0.86 5.02 -1.26 -4.14 118.16 114.13 1rdu n LYS 53 Ca 0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.26 1rdu n LYS 53 Cb 0.21 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.19 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1rdu h VAL 54 N 0.00 0.00 -0.21 -0.18 3.04 -1.95 -2.61 116.25 114.34 1rdu h VAL 54 Ca 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.73 1rdu h VAL 54 Cb 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.24 1rdu h VAL 54 CO 0.00 0.00 -0.05 0.58 -1.01 0.00 0.00 177.57 177.09 1rdu h VAL 55 N -0.15 0.79 -0.61 1.51 2.07 -1.96 -0.18 116.25 117.72 1rdu h VAL 55 Ca 0.01 -0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.65 1rdu h VAL 55 Cb 0.17 0.79 -0.12 0.00 -1.52 0.00 0.00 31.29 30.61 1rdu h VAL 55 CO -0.12 0.00 -0.17 1.56 0.02 0.00 0.00 177.57 178.86 1rdu h GLN 56 N 0.00 -0.02 -0.22 1.57 4.20 -1.83 0.15 115.11 118.97 1rdu h GLN 56 Ca 0.10 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.66 1rdu h GLN 56 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1rdu h GLN 56 CO -0.22 -0.01 -0.44 1.03 -0.67 0.00 0.00 178.83 178.52 1rdu h SER 57 N -0.02 0.77 -0.34 1.46 0.87 -0.95 -1.24 113.55 114.11 1rdu h SER 57 Ca 0.29 -0.55 -0.06 0.00 -1.23 0.00 0.00 61.79 60.25 1rdu h SER 57 Cb 0.46 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1rdu h SER 57 CO -0.64 1.18 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.75 1rdu h LEU 58 N 0.40 0.60 -1.78 2.23 3.38 -0.17 -1.42 115.31 118.55 1rdu h LEU 58 Ca 0.01 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1rdu h LEU 58 Cb 1.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1rdu h LEU 58 CO 0.10 0.78 0.18 0.58 0.09 0.00 0.00 178.44 180.17 1rdu h VAL 59 N 0.41 1.02 0.00 1.22 2.07 -0.80 0.15 116.25 120.33 1rdu h VAL 59 Ca 0.09 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1rdu h VAL 59 Cb 0.48 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1rdu h VAL 59 CO 0.02 0.05 0.00 -1.20 0.02 0.00 0.00 177.57 176.46 1rdu n SER 60 N -4.50 0.00 -1.82 0.57 7.64 -0.47 -2.42 113.62 112.63 1rdu n SER 60 Ca 0.02 -0.95 -0.20 0.00 1.01 0.00 0.00 58.87 58.75 1rdu n SER 60 Cb 0.14 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.90 3.29 -1.42 1.43 5.02 0.52 -4.99 118.16 121.10 1rdu n LYS 61 Ca 0.15 -4.01 -0.15 0.00 -2.02 0.00 0.00 58.31 52.28 1rdu n LYS 61 Cb 0.07 -2.18 -0.06 0.00 -0.02 0.00 0.00 35.03 32.84 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 -0.78 1.39 3.55 0.72 0.00 -1.02 -4.80 105.19 104.25 1rdu n GLY 62 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.23 3.32 -0.56 1.61 1.01 -1.10 -3.45 120.40 118.99 1rdu s VAL 63 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1rdu s VAL 63 Cb 0.00 -3.79 0.52 0.00 0.00 0.00 0.00 36.38 33.12 1rdu s VAL 63 CO 0.00 -0.76 1.94 -0.62 0.00 0.00 0.00 175.10 175.66 1rdu n GLU 64 N 9.04 2.55 0.00 2.72 1.02 0.27 -4.66 120.64 131.59 1rdu n GLU 64 Ca 0.30 -3.24 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 1rdu n GLU 64 Cb 0.50 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1rdu n GLU 64 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1rdu n TYR 65 N -0.99 0.00 -3.54 -0.32 4.01 -1.21 -3.22 117.16 111.88 1rdu n TYR 65 Ca 0.60 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 58.22 1rdu n TYR 65 Cb 1.02 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.01 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 -0.44 -0.31 7.72 2.96 -0.04 -2.95 118.68 125.62 1rdu s LEU 66 Ca 0.00 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1rdu s LEU 66 Cb 0.00 2.08 0.09 0.00 0.50 0.00 0.00 46.19 48.86 1rdu s LEU 66 CO 0.00 -0.49 0.02 -0.63 -1.32 0.00 0.00 176.35 173.93 1rdu s ILE 67 N -1.68 1.89 -0.15 6.68 1.01 -0.42 -0.12 121.20 128.42 1rdu s ILE 67 Ca -0.02 -1.90 -0.08 0.00 0.00 0.00 0.00 60.65 58.65 1rdu s ILE 67 Cb -0.00 -2.30 0.05 0.00 0.01 0.00 0.00 42.46 40.22 1rdu s ILE 67 CO 0.01 -0.45 0.36 0.00 0.00 0.00 0.00 174.94 174.85 1rdu s ALA 68 N 1.14 -0.89 0.48 9.38 0.00 0.58 -4.03 121.76 128.41 1rdu s ALA 68 Ca 0.05 1.36 0.20 0.00 0.00 0.00 0.00 51.96 53.57 1rdu s ALA 68 Cb -0.19 -0.84 1.27 0.00 0.00 0.00 0.00 23.12 23.36 1rdu s ALA 68 CO -0.10 -0.24 2.08 0.66 0.00 0.00 0.00 175.76 178.15 1rdu h SER 69 N 7.15 0.00 -0.76 0.00 4.64 -1.77 -3.35 113.55 119.46 1rdu h SER 69 Ca -0.38 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.96 1rdu h SER 69 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1rdu h SER 69 CO 0.32 0.11 0.07 -3.20 -0.87 0.00 0.00 176.83 173.26 1rdu n ASN 70 N -4.14 -0.19 -3.92 4.97 5.15 -1.26 -4.75 115.26 111.12 1rdu n ASN 70 Ca -0.02 -1.09 -0.17 0.00 -0.60 0.00 0.00 54.58 52.70 1rdu n ASN 70 Cb 0.19 0.30 -0.15 0.00 -0.53 0.00 0.00 39.78 39.59 1rdu n ASN 70 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rdu s VAL 71 N -2.49 0.37 0.25 3.44 0.11 -1.26 -0.91 120.40 119.91 1rdu s VAL 71 Ca 0.03 -0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1rdu s VAL 71 Cb -0.00 -0.35 0.17 0.00 -1.53 0.00 0.00 36.38 34.66 1rdu s VAL 71 CO 0.01 0.13 1.82 1.23 -3.33 0.00 0.00 175.10 174.96 1rdu h GLY 72 N 6.45 1.09 0.00 6.54 0.00 -1.89 -3.46 103.07 111.81 1rdu h GLY 72 Ca -0.32 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1rdu h GLY 72 CO 0.49 0.56 0.00 -0.96 0.00 0.00 0.00 176.54 176.63 1rdu n ARG 73 N -4.29 -2.44 -4.27 4.80 0.00 -1.26 -4.74 116.66 104.47 1rdu n ARG 73 Ca 0.06 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.60 1rdu n ARG 73 Cb 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 32.46 32.56 1rdu n ARG 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1rdu n ASN 74 N 0.00 0.62 0.00 2.89 3.02 -1.26 -4.63 115.26 115.90 1rdu n ASN 74 Ca 0.00 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1rdu n ASN 74 Cb 0.00 -1.76 0.00 0.00 -0.61 0.00 0.00 39.78 37.41 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rdu n ALA 75 N -4.59 0.11 -0.08 5.41 0.00 -1.26 -4.70 120.51 115.41 1rdu n ALA 75 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1rdu n ALA 75 Cb 0.69 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.43 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 0.70 -0.18 0.00 3.57 -1.99 -1.29 116.94 117.75 1rdu h PHE 76 Ca 0.00 -0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 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 0.55 -0.45 0.93 -2.23 0.00 0.00 178.31 177.11 1rdu h GLU 77 N 0.69 0.43 0.00 1.11 5.08 -1.98 -2.54 114.58 117.37 1rdu h GLU 77 Ca 0.17 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1rdu h GLU 77 Cb 0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1rdu h GLU 77 CO -0.01 0.80 -0.00 1.15 -1.00 0.00 0.00 179.01 179.94 1rdu h THR 78 N 0.35 0.01 0.41 1.13 2.02 -1.65 -0.82 112.91 114.35 1rdu h THR 78 Ca 0.02 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1rdu h THR 78 Cb 0.93 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1rdu h THR 78 CO 0.08 0.00 -0.20 -0.07 0.37 0.00 0.00 175.52 175.71 1rdu h LEU 79 N 0.00 -0.47 -1.50 2.58 3.38 -0.89 -3.11 115.31 115.31 1rdu h LEU 79 Ca -0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1rdu h LEU 79 Cb 0.66 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1rdu h LEU 79 CO 0.00 -0.04 -0.25 0.07 0.09 0.00 0.00 178.44 178.31 1rdu h LYS 80 N -1.02 0.00 0.00 1.13 2.10 -1.50 0.03 116.57 117.30 1rdu h LYS 80 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1rdu h LYS 80 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1rdu h LYS 80 CO 0.09 0.25 0.00 0.00 -2.00 0.00 0.00 179.45 177.80 1rdu n ALA 81 N -2.48 1.65 -2.62 0.07 0.00 -0.32 -1.24 120.51 115.57 1rdu n ALA 81 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1rdu n ALA 81 Cb 0.31 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.09 2.84 -2.67 0.00 0.00 -0.29 -5.02 120.51 114.29 1rdu n ALA 82 Ca 0.04 -2.79 -0.07 0.00 0.00 0.00 0.00 53.44 50.62 1rdu n ALA 82 Cb 0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.37 -0.49 3.65 0.00 0.00 -0.37 -4.88 105.19 102.71 1rdu n GLY 83 Ca 0.11 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.30 4.51 -0.76 1.61 1.01 -0.16 -4.77 120.40 119.55 1rdu s VAL 84 Ca 0.08 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 63.57 1rdu s VAL 84 Cb -0.04 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 32.02 1rdu s VAL 84 CO 0.10 -0.37 1.35 -0.54 0.00 0.00 0.00 175.10 175.63 1rdu s LYS 85 N 3.55 3.18 -0.29 2.72 1.02 -1.20 -4.52 119.74 124.20 1rdu s LYS 85 Ca 0.46 -0.26 -0.27 0.00 0.02 0.00 0.00 55.97 55.93 1rdu s LYS 85 Cb -0.14 -4.31 0.01 0.00 -0.52 0.00 0.00 37.83 32.87 1rdu s LYS 85 CO 0.13 -2.21 0.96 0.08 -0.92 0.00 0.00 175.35 173.39 1rdu s VAL 86 N 5.96 4.66 0.31 3.17 1.01 -1.26 -0.87 120.40 133.39 1rdu s VAL 86 Ca 0.39 1.62 -0.05 0.00 0.00 0.00 0.00 61.98 63.93 1rdu s VAL 86 Cb -0.08 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1rdu s VAL 86 CO 0.13 -0.31 0.58 -0.31 0.00 0.00 0.00 175.10 175.19 1rdu s TYR 87 N 3.27 3.48 0.57 5.22 1.51 0.83 0.08 117.35 132.31 1rdu s TYR 87 Ca 0.40 0.65 -0.13 0.00 -1.01 0.00 0.00 57.07 56.98 1rdu s TYR 87 Cb -0.14 -2.12 -0.06 0.00 -0.11 0.00 0.00 41.96 39.54 1rdu s TYR 87 CO 0.12 0.13 1.00 0.50 -1.11 0.00 0.00 175.55 176.19 1rdu s ARG 88 N -3.68 3.75 0.14 -0.62 6.06 0.31 -0.31 118.95 124.61 1rdu s ARG 88 Ca 0.44 0.81 0.01 0.00 -2.50 0.00 0.00 55.73 54.50 1rdu s ARG 88 Cb -0.11 -2.12 -0.04 0.00 0.06 0.00 0.00 34.95 32.74 1rdu s ARG 88 CO 0.31 -0.42 -0.01 -0.59 -2.50 0.00 0.00 175.30 172.09 1rdu s PHE 89 N -2.92 1.06 -0.43 5.12 -0.71 -1.26 -4.18 117.98 114.67 1rdu s PHE 89 Ca 0.56 -1.02 0.08 0.00 -1.04 0.00 0.00 56.93 55.51 1rdu s PHE 89 Cb -0.11 -0.61 0.26 0.00 -1.21 0.00 0.00 43.02 41.36 1rdu s PHE 89 CO 0.44 -0.24 0.72 -1.91 -1.34 0.00 0.00 175.22 172.89 1rdu n GLU 90 N -0.16 0.78 0.00 1.99 0.00 -1.26 -4.19 120.64 117.81 1rdu n GLU 90 Ca -0.08 -2.62 0.00 0.00 0.00 0.00 0.00 57.16 54.46 1rdu n GLU 90 Cb 0.62 -1.34 0.00 0.00 0.00 0.00 0.00 31.44 30.73 1rdu n GLU 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1rdu n GLY 91 N 1.30 0.86 0.00 8.31 0.00 -1.26 -5.16 105.19 109.24 1rdu n GLY 91 Ca 0.16 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 1.68 4.35 3.90 -0.02 0.00 -1.26 -4.85 105.19 108.99 1rdu n GLY 92 Ca 0.00 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 2.00 0.32 2.61 -4.23 -1.26 -1.93 115.64 111.15 1rdu s THR 93 Ca 0.00 -0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 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 1.64 0.58 -0.54 0.00 0.00 174.62 176.30 1rdu h VAL 94 N -1.13 0.23 -0.89 2.29 2.07 -0.59 0.15 116.25 118.37 1rdu h VAL 94 Ca -0.46 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1rdu h VAL 94 Cb 1.32 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1rdu h VAL 94 CO 0.62 0.04 0.59 -0.61 0.02 0.00 0.00 177.57 178.23 1rdu h GLN 95 N 0.21 1.13 -0.41 1.57 4.15 -1.59 -3.11 115.11 117.05 1rdu h GLN 95 Ca 0.68 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.94 1rdu h GLN 95 Cb 1.53 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 1rdu h GLN 95 CO -0.68 0.74 -0.10 0.93 -1.93 0.00 0.00 178.83 177.79 1rdu h GLU 96 N 1.16 0.80 -1.04 1.69 3.07 -1.29 0.14 114.58 119.11 1rdu h GLU 96 Ca 0.34 -0.31 0.29 0.00 -0.50 0.00 0.00 59.36 59.19 1rdu h GLU 96 Cb -0.06 -0.04 -0.13 0.00 -0.84 0.00 0.00 28.75 27.68 1rdu h GLU 96 CO -0.09 0.92 0.62 0.00 -1.40 0.00 0.00 179.01 179.07 1rdu h ALA 97 N 0.85 2.01 0.00 3.43 0.00 -1.46 0.21 119.26 124.30 1rdu h ALA 97 Ca 0.10 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1rdu h ALA 97 Cb 0.63 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1rdu h ALA 97 CO 0.04 -0.53 -0.59 0.82 0.00 0.00 0.00 179.25 178.99 1rdu h ILE 98 N 0.42 0.78 -0.03 0.00 1.08 -1.30 -2.46 117.51 116.00 1rdu h ILE 98 Ca 0.68 -1.77 0.01 0.00 -0.39 0.00 0.00 64.86 63.39 1rdu h ILE 98 Cb 1.54 1.66 -0.00 0.00 -3.07 0.00 0.00 36.82 36.95 1rdu h ILE 98 CO -0.48 0.27 0.03 0.44 -0.69 0.00 0.00 178.15 177.71 1rdu h ASP 99 N -1.00 0.00 0.26 1.72 5.19 -0.65 0.48 116.42 122.41 1rdu h ASP 99 Ca -0.13 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.27 1rdu h ASP 99 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1rdu h ASP 99 CO -0.08 0.00 -0.12 0.00 -3.12 0.00 0.00 179.24 175.91 1rdu h ALA 100 N 1.97 -0.44 -0.48 3.45 0.00 -0.69 -2.75 119.26 120.32 1rdu h ALA 100 Ca 0.01 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1rdu h ALA 100 Cb 0.07 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1rdu h ALA 100 CO -0.00 -0.41 -0.02 0.35 0.00 0.00 0.00 179.25 179.17 1rdu h PHE 101 N -0.83 -0.07 0.00 0.00 3.04 -0.74 0.16 116.94 118.50 1rdu h PHE 101 Ca -0.04 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1rdu h PHE 101 Cb 0.27 0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1rdu h PHE 101 CO 0.02 -0.13 0.00 0.43 -2.02 0.00 0.00 178.31 176.62 1rdu n SER 102 N -5.25 0.54 -1.87 0.41 7.64 0.16 -1.79 113.62 113.46 1rdu n SER 102 Ca 0.05 0.57 -0.22 0.00 1.01 0.00 0.00 58.87 60.28 1rdu n SER 102 Cb 0.26 -0.71 0.07 0.00 -1.01 0.00 0.00 64.21 62.83 1rdu n SER 102 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rdu n GLU 103 N -2.02 3.01 -0.97 1.43 1.02 -0.84 -4.99 120.64 117.28 1rdu n GLU 103 Ca 0.05 -3.77 -0.04 0.00 -0.02 0.00 0.00 57.16 53.38 1rdu n GLU 103 Cb 0.36 -2.17 -0.02 0.00 -0.02 0.00 0.00 31.44 29.59 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 -0.85 0.42 1.80 0.62 0.00 -0.60 -4.86 105.19 101.73 1rdu n GLY 104 Ca 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.00 1.73 -4.25 1.61 1.74 0.45 -4.87 116.66 113.07 1rdu n ARG 105 Ca -0.04 -1.50 -0.14 0.00 -0.77 0.00 0.00 57.85 55.40 1rdu n ARG 105 Cb 0.43 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.72 1.75 -0.03 0.55 1.43 -1.26 -4.75 118.68 114.65 1rdu s LEU 106 Ca 0.29 -1.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.12 1rdu s LEU 106 Cb 0.23 0.09 -0.03 0.00 0.03 0.00 0.00 46.19 46.51 1rdu s LEU 106 CO 0.01 -0.69 -0.02 -1.61 0.23 0.00 0.00 176.35 174.27 1rdu s GLU 107 N -4.01 2.79 -0.45 1.70 0.41 -1.26 -4.99 118.70 112.89 1rdu s GLU 107 Ca 0.31 -0.57 -0.28 0.00 -0.41 0.00 0.00 54.97 54.02 1rdu s GLU 107 Cb 0.07 -2.66 0.03 0.00 -1.78 0.00 0.00 34.13 29.78 1rdu s GLU 107 CO 0.08 0.65 1.07 -2.00 -0.49 0.00 0.00 175.26 174.57 1rdu s GLU 108 N -1.27 3.72 -1.00 1.61 2.12 -1.26 -0.53 118.70 122.08 1rdu s GLU 108 Ca 0.17 0.52 -0.01 0.00 0.36 0.00 0.00 54.97 56.00 1rdu s GLU 108 Cb -0.11 -3.89 0.31 0.00 0.26 0.00 0.00 34.13 30.70 1rdu s GLU 108 CO 0.07 -1.28 1.90 -0.11 -0.54 0.00 0.00 175.26 175.30 1rdu n LEU 109 N 7.54 7.42 -2.22 2.70 7.94 0.11 -4.82 117.00 135.67 1rdu n LEU 109 Ca 0.10 -5.25 -0.29 0.00 -1.11 0.00 0.00 56.01 49.46 1rdu n LEU 109 Cb 0.49 -1.16 0.12 0.00 0.53 0.00 0.00 43.42 43.40 1rdu n LEU 109 CO 0.68 1.99 1.29 0.35 -1.11 0.00 0.00 177.39 180.60 1rdu n THR 110 N -0.06 3.37 -2.32 1.96 -2.24 -1.24 -4.37 114.28 109.39 1rdu n THR 110 Ca 0.49 -2.63 -0.01 0.00 -2.27 0.00 0.00 64.05 59.64 1rdu n THR 110 Cb 0.26 -0.87 0.02 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.00 0.00 -2.41 4.28 5.66 -1.26 -5.05 114.28 114.49 1rdu n THR 111 Ca 0.59 -0.17 -0.24 0.00 -3.05 0.00 0.00 64.05 61.18 1rdu n THR 111 Cb 1.06 0.49 0.09 0.00 -1.55 0.00 0.00 70.33 70.43 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 0.02 2.16 0.46 1.09 -0.71 -1.26 -5.12 117.98 114.62 1rdu s PHE 112 Ca 0.02 0.03 0.08 0.00 -1.04 0.00 0.00 56.93 56.01 1rdu s PHE 112 Cb 0.08 -3.15 0.00 0.00 -1.21 0.00 0.00 43.02 38.74 1rdu s PHE 112 CO -0.02 -1.60 0.44 0.95 -1.34 0.00 0.00 175.22 173.65 1rdu s THR 113 N -3.20 2.45 -0.07 -4.49 -4.23 -1.26 -5.14 115.64 99.71 1rdu s THR 113 Ca 0.64 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.82 1rdu s THR 113 Cb -0.07 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 71.05 1rdu s THR 113 CO 0.44 0.00 0.14 -0.60 -0.54 0.00 0.00 174.62 174.06 1rdu s ARG 114 N -4.23 0.02 -0.40 3.99 3.00 -1.26 -4.86 118.95 115.20 1rdu s ARG 114 Ca 0.48 0.49 0.05 0.00 -1.00 0.00 0.00 55.73 55.74 1rdu s ARG 114 Cb -0.04 -0.29 0.17 0.00 0.00 0.00 0.00 34.95 34.79 1rdu s ARG 114 CO 0.28 -0.28 0.49 -2.00 0.00 0.00 0.00 175.30 173.79 1rdu s GLU 115 N 2.03 0.77 0.00 5.12 2.56 -1.26 -5.07 118.70 122.85 1rdu s GLU 115 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 54.97 54.17 1rdu s GLU 115 Cb -0.12 -0.46 0.00 0.00 2.00 0.00 0.00 34.13 35.55 1rdu s GLU 115 CO -0.05 -1.23 0.00 0.41 -0.56 0.00 0.00 175.26 173.83