#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 -0.86 -3.89 3.04 0.00 -1.26 -5.01 120.51 112.53 1rdu n ALA 2 Ca 0.00 -0.45 -0.34 0.00 0.00 0.00 0.00 53.44 52.65 1rdu n ALA 2 Cb 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.03 2.87 0.03 0.00 3.00 -1.26 -0.67 118.95 120.89 1rdu s ARG 3 Ca 0.07 -0.94 -0.14 0.00 0.00 0.00 0.00 55.73 54.72 1rdu s ARG 3 Cb -0.02 -2.83 -0.06 0.00 0.00 0.00 0.00 34.95 32.05 1rdu s ARG 3 CO 0.03 -0.33 0.43 0.54 0.00 0.00 0.00 175.30 175.97 1rdu s VAL 4 N 1.30 5.00 0.16 3.52 0.11 -1.01 -1.78 120.40 127.71 1rdu s VAL 4 Ca 0.01 0.82 0.04 0.00 -2.93 0.00 0.00 61.98 59.92 1rdu s VAL 4 Cb -0.16 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1rdu s VAL 4 CO -0.07 0.52 0.18 0.00 -3.33 0.00 0.00 175.10 172.39 1rdu s ALA 5 N -1.15 3.69 -0.06 1.54 0.00 -1.06 -1.66 121.76 123.06 1rdu s ALA 5 Ca 0.26 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1rdu s ALA 5 Cb -0.16 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.50 1rdu s ALA 5 CO 0.15 0.51 0.01 0.42 0.00 0.00 0.00 175.76 176.84 1rdu s ILE 6 N -1.76 0.27 -0.55 0.00 1.09 -0.29 -1.00 121.20 118.96 1rdu s ILE 6 Ca 0.32 0.15 -0.27 0.00 -1.10 0.00 0.00 60.65 59.75 1rdu s ILE 6 Cb -0.10 -0.43 -0.02 0.00 -1.06 0.00 0.00 42.46 40.85 1rdu s ILE 6 CO 0.25 0.23 1.78 -2.16 -0.10 0.00 0.00 174.94 174.94 1rdu s PRO 7 N 1.79 2.86 0.52 2.79 0.04 -1.26 -1.24 135.00 140.49 1rdu s PRO 7 Ca 0.02 0.74 0.09 0.00 0.04 0.00 0.00 61.00 61.88 1rdu s PRO 7 Cb -0.13 -4.31 0.06 0.00 0.04 0.00 0.00 34.50 30.16 1rdu s PRO 7 CO -0.04 -2.45 0.70 0.45 0.04 0.00 0.00 177.00 175.70 1rdu s SER 8 N 7.17 5.29 -0.24 6.66 0.15 0.06 -0.33 113.70 132.46 1rdu s SER 8 Ca 0.67 -0.70 0.14 0.00 0.70 0.00 0.00 55.95 56.76 1rdu s SER 8 Cb -0.14 -0.05 0.46 0.00 -1.71 0.00 0.00 66.02 64.58 1rdu s SER 8 CO 0.24 -1.12 1.17 1.33 1.20 0.00 0.00 173.24 176.06 1rdu n VAL 9 N -2.09 1.89 -1.90 4.45 0.24 -0.77 -1.22 118.33 118.93 1rdu n VAL 9 Ca 0.13 -3.37 0.00 0.00 -2.04 0.00 0.00 64.34 59.05 1rdu n VAL 9 Cb 0.61 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.63 -1.26 2.19 7.63 0.00 -1.26 -4.87 105.19 106.97 1rdu n GLY 10 Ca 0.26 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 1rdu n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rdu n LYS 11 N -0.04 3.00 -4.09 1.61 2.85 -1.26 -4.79 118.16 115.44 1rdu n LYS 11 Ca 0.00 -3.94 -0.12 0.00 -1.05 0.00 0.00 58.31 53.20 1rdu n LYS 11 Cb 0.00 -2.05 -0.11 0.00 -0.65 0.00 0.00 35.03 32.22 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 -3.62 0.91 0.00 -5.58 1.01 -1.26 -5.06 116.67 103.06 1rdu s ASP 12 Ca 0.44 -0.69 0.23 0.00 0.71 0.00 0.00 52.55 53.24 1rdu s ASP 12 Cb 0.38 0.06 1.10 0.00 1.01 0.00 0.00 42.92 45.47 1rdu s ASP 12 CO 0.01 -0.29 1.75 -0.11 0.21 0.00 0.00 175.17 176.74 1rdu n LEU 13 N 1.01 0.00 -1.88 1.23 -0.00 -1.26 -0.98 117.00 115.12 1rdu n LEU 13 Ca -0.20 0.36 -0.22 0.00 -0.00 0.00 0.00 56.01 55.96 1rdu n LEU 13 Cb 0.56 -0.36 0.06 0.00 -0.00 0.00 0.00 43.42 43.69 1rdu n LEU 13 CO 0.23 -0.08 0.48 -0.24 -0.00 0.00 0.00 177.39 177.78 1rdu n SER 14 N -1.36 4.92 -4.88 1.96 2.88 -1.26 -1.61 113.62 114.27 1rdu n SER 14 Ca 0.09 -3.77 -0.30 0.00 -1.33 0.00 0.00 58.87 53.56 1rdu n SER 14 Cb 0.21 -0.50 0.07 0.00 -0.75 0.00 0.00 64.21 63.24 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 -3.14 4.94 0.27 -3.46 0.01 -0.15 -4.74 113.70 107.43 1rdu s SER 15 Ca 0.52 1.00 -0.29 0.00 1.31 0.00 0.00 55.95 58.48 1rdu s SER 15 Cb 0.43 -1.66 -0.09 0.00 0.21 0.00 0.00 66.02 64.90 1rdu s SER 15 CO 0.02 -1.65 1.01 -0.04 0.41 0.00 0.00 173.24 172.98 1rdu s MET 16 N -5.43 4.73 0.19 12.44 -1.94 -1.26 -0.70 119.30 127.34 1rdu s MET 16 Ca 0.60 1.61 -0.30 0.00 -1.71 0.00 0.00 55.69 55.89 1rdu s MET 16 Cb -0.11 -3.19 -0.08 0.00 2.01 0.00 0.00 34.83 33.46 1rdu s MET 16 CO 0.51 0.36 1.03 0.08 -0.01 0.00 0.00 175.02 176.99 1rdu s VAL 17 N -1.21 4.00 0.30 -6.03 1.01 -0.84 -1.84 120.40 115.79 1rdu s VAL 17 Ca 0.43 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 64.02 1rdu s VAL 17 Cb -0.28 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 1rdu s VAL 17 CO 0.35 0.36 0.83 -0.55 0.00 0.00 0.00 175.10 176.08 1rdu s SER 18 N -0.48 7.07 -0.18 3.32 0.15 0.55 -4.86 113.70 119.27 1rdu s SER 18 Ca 0.46 1.57 -0.00 0.00 0.70 0.00 0.00 55.95 58.67 1rdu s SER 18 Cb -0.28 -2.48 0.14 0.00 -1.71 0.00 0.00 66.02 61.69 1rdu s SER 18 CO 0.34 -0.10 1.92 0.47 1.20 0.00 0.00 173.24 177.07 1rdu n ASP 19 N 0.26 5.69 0.00 5.45 8.00 -1.26 -4.67 116.55 130.01 1rdu n ASP 19 Ca 0.02 -2.76 0.00 0.00 0.71 0.00 0.00 54.79 52.76 1rdu n ASP 19 Cb 0.52 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1rdu n ASP 19 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1rdu n ARG 20 N 0.72 0.00 0.11 -1.24 1.85 -1.25 -4.37 116.66 112.48 1rdu n ARG 20 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.95 1rdu n ARG 20 Cb 0.58 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.95 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 -0.64 -0.03 2.89 3.57 -1.08 -2.42 116.94 119.23 1rdu h PHE 21 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1rdu h PHE 21 Cb 0.00 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1rdu h PHE 21 CO 0.00 -0.29 0.00 0.00 -2.23 0.00 0.00 178.31 175.79 1rdu n ALA 22 N -2.54 2.51 -2.38 2.41 0.00 -1.26 -1.79 120.51 117.45 1rdu n ALA 22 Ca -0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1rdu n ALA 22 Cb 0.20 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.30 2.08 -1.53 0.00 1.74 -1.15 -4.47 116.66 113.04 1rdu n ARG 23 Ca 0.01 -3.49 -0.16 0.00 -0.77 0.00 0.00 57.85 53.45 1rdu n ARG 23 Cb 0.09 -1.60 0.10 0.00 -1.02 0.00 0.00 32.46 30.03 1rdu n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rdu n ALA 24 N -0.54 -0.36 0.00 7.54 0.00 -0.74 -4.84 120.51 121.58 1rdu n ALA 24 Ca 0.20 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1rdu n ALA 24 Cb 0.89 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1rdu n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rdu n GLU 25 N -2.41 3.81 -3.90 0.00 1.02 -0.35 -4.08 120.64 114.73 1rdu n GLU 25 Ca 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1rdu n GLU 25 Cb 0.36 -0.64 -0.09 0.00 -0.02 0.00 0.00 31.44 31.05 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 -1.23 0.15 -0.13 -0.32 1.51 -0.90 -1.17 117.35 115.25 1rdu s TYR 26 Ca 0.00 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1rdu s TYR 26 Cb 0.00 -0.10 0.04 0.00 -0.11 0.00 0.00 41.96 41.79 1rdu s TYR 26 CO 0.00 -0.38 -0.01 -0.06 -1.11 0.00 0.00 175.55 173.98 1rdu s PHE 27 N -2.56 1.09 -0.30 2.71 0.08 -0.48 -0.76 117.98 117.75 1rdu s PHE 27 Ca -0.05 -0.62 -0.16 0.00 0.12 0.00 0.00 56.93 56.22 1rdu s PHE 27 Cb -0.01 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.38 1rdu s PHE 27 CO -0.04 -0.49 0.41 0.42 -0.10 0.00 0.00 175.22 175.42 1rdu s ILE 28 N 1.84 5.14 -0.50 0.64 -1.09 -0.38 -0.66 121.20 126.18 1rdu s ILE 28 Ca 0.03 0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 58.81 1rdu s ILE 28 Cb -0.14 -3.78 0.13 0.00 -1.58 0.00 0.00 42.46 37.09 1rdu s ILE 28 CO -0.07 0.03 0.34 -0.63 -1.23 0.00 0.00 174.94 173.38 1rdu s ILE 29 N 2.13 3.93 -0.44 2.92 1.01 0.36 -1.14 121.20 129.97 1rdu s ILE 29 Ca 0.15 -2.11 -0.26 0.00 0.00 0.00 0.00 60.65 58.43 1rdu s ILE 29 Cb -0.16 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1rdu s ILE 29 CO 0.11 -0.78 0.96 -0.47 0.00 0.00 0.00 174.94 174.76 1rdu s TYR 30 N 0.98 2.94 -0.69 3.97 5.04 -0.66 -2.15 117.35 126.77 1rdu s TYR 30 Ca 0.09 0.53 -0.27 0.00 -2.44 0.00 0.00 57.07 54.98 1rdu s TYR 30 Cb -0.23 -3.98 0.03 0.00 0.35 0.00 0.00 41.96 38.13 1rdu s TYR 30 CO -0.03 -1.07 1.31 -0.51 -1.34 0.00 0.00 175.55 173.91 1rdu s ASP 31 N 2.21 6.16 0.00 4.32 1.01 -0.04 -2.40 116.67 127.93 1rdu s ASP 31 Ca 0.39 -0.26 -0.02 0.00 0.71 0.00 0.00 52.55 53.37 1rdu s ASP 31 Cb -0.10 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.20 1rdu s ASP 31 CO 0.25 -1.80 2.04 0.35 0.21 0.00 0.00 175.17 176.22 1rdu n THR 32 N 6.51 1.84 0.00 -1.27 -2.24 0.15 -2.94 114.28 116.33 1rdu n THR 32 Ca 0.06 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1rdu n THR 32 Cb 0.49 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 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 1.94 0.38 -2.15 -0.78 1.02 -1.26 -4.53 120.64 115.25 1rdu n GLU 33 Ca 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.22 1rdu n GLU 33 Cb 0.50 -0.71 0.05 0.00 -0.02 0.00 0.00 31.44 31.27 1rdu n GLU 33 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1rdu n SER 34 N -1.73 2.16 -2.47 1.62 7.64 -1.16 -4.99 113.62 114.69 1rdu n SER 34 Ca 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 58.87 57.28 1rdu n SER 34 Cb 0.21 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1rdu n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rdu n GLY 35 N -0.43 -0.49 3.88 0.23 0.00 -1.15 -4.92 105.19 102.31 1rdu n GLY 35 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 6.59 0.06 1.61 3.84 -1.23 -4.93 114.94 118.87 1rdu s ASN 36 Ca 0.00 0.89 0.04 0.00 0.21 0.00 0.00 52.86 54.00 1rdu s ASN 36 Cb 0.00 -2.21 -0.03 0.00 -0.55 0.00 0.00 41.25 38.46 1rdu s ASN 36 CO 0.00 -0.10 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.40 1rdu s VAL 37 N -1.87 0.93 -0.05 -5.21 1.01 -1.26 -0.86 120.40 113.09 1rdu s VAL 37 Ca 0.47 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1rdu s VAL 37 Cb -0.11 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 1rdu s VAL 37 CO 0.23 -0.23 -0.18 -0.70 0.00 0.00 0.00 175.10 174.22 1rdu s GLU 38 N -1.56 1.96 -0.42 2.72 2.56 -0.91 -4.94 118.70 118.10 1rdu s GLU 38 Ca -0.04 -0.65 -0.14 0.00 0.00 0.00 0.00 54.97 54.15 1rdu s GLU 38 Cb -0.09 -1.66 0.04 0.00 2.00 0.00 0.00 34.13 34.41 1rdu s GLU 38 CO 0.02 0.24 0.30 0.08 -0.56 0.00 0.00 175.26 175.33 1rdu s VAL 39 N 0.09 5.05 0.49 3.70 1.01 -1.26 -0.49 120.40 128.99 1rdu s VAL 39 Ca -0.06 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1rdu s VAL 39 Cb -0.13 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1rdu s VAL 39 CO 0.03 -0.37 0.98 -0.69 0.00 0.00 0.00 175.10 175.05 1rdu s VAL 40 N 1.63 4.38 -0.29 2.92 1.01 0.16 -4.92 120.40 125.29 1rdu s VAL 40 Ca 0.04 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.32 1rdu s VAL 40 Cb -0.20 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.63 1rdu s VAL 40 CO 0.08 -0.51 0.04 -0.70 0.00 0.00 0.00 175.10 174.01 1rdu s GLU 41 N -3.68 1.23 -0.21 2.72 2.12 -1.26 -1.39 118.70 118.22 1rdu s GLU 41 Ca 0.61 -1.29 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1rdu s GLU 41 Cb -0.10 -2.56 0.05 0.00 0.26 0.00 0.00 34.13 31.78 1rdu s GLU 41 CO 0.24 -0.85 -0.05 1.21 -0.54 0.00 0.00 175.26 175.27 1rdu s ASN 42 N 1.33 3.47 -1.14 -1.70 3.84 -0.32 -4.96 114.94 115.45 1rdu s ASN 42 Ca 0.05 -0.98 -0.06 0.00 0.21 0.00 0.00 52.86 52.08 1rdu s ASN 42 Cb -0.18 -1.08 0.26 0.00 -0.55 0.00 0.00 41.25 39.70 1rdu s ASN 42 CO -0.14 -0.21 1.57 0.35 -2.79 0.00 0.00 177.10 175.88 1rdu n THR 43 N 4.75 4.99 -3.74 -5.21 -2.24 -1.26 -4.13 114.28 107.44 1rdu n THR 43 Ca -0.12 -5.44 -0.37 0.00 -2.27 0.00 0.00 64.05 55.85 1rdu n THR 43 Cb 0.46 -2.20 -0.11 0.00 -2.10 0.00 0.00 70.33 66.38 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 -1.68 3.51 -0.35 2.28 -5.25 -1.26 -4.95 121.20 113.51 1rdu s ILE 44 Ca 0.34 -2.33 0.14 0.00 -0.99 0.00 0.00 60.65 57.81 1rdu s ILE 44 Cb 0.05 -3.36 0.45 0.00 2.95 0.00 0.00 42.46 42.55 1rdu s ILE 44 CO 0.06 -0.76 0.99 0.00 -1.79 0.00 0.00 174.94 173.44 1rdu n ALA 45 N 4.25 3.82 -3.12 2.27 0.00 -1.26 -3.80 120.51 122.68 1rdu n ALA 45 Ca 0.01 -3.45 -0.00 0.00 0.00 0.00 0.00 53.44 49.99 1rdu n ALA 45 Cb 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.16 -0.33 -4.29 0.00 -0.08 -1.26 -5.12 116.55 105.30 1rdu n ASP 46 Ca 0.17 -1.23 -0.26 0.00 -1.51 0.00 0.00 54.79 51.97 1rdu n ASP 46 Cb 0.77 0.55 -0.09 0.00 2.34 0.00 0.00 41.12 44.70 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 -1.16 2.97 0.15 -1.67 0.00 -1.26 -4.86 121.76 115.93 1rdu s ALA 47 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1rdu s ALA 47 Cb -0.01 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1rdu s ALA 47 CO 0.02 -0.28 0.00 1.58 0.00 0.00 0.00 175.76 177.07 1rdu n HIS 48 N -0.91 -2.69 0.00 0.00 -0.00 -1.26 -5.12 115.22 105.24 1rdu n HIS 48 Ca -0.07 0.80 0.00 0.00 -0.00 0.00 0.00 57.72 58.44 1rdu n HIS 48 Cb 0.66 -1.33 0.00 0.00 -0.00 0.00 0.00 29.99 29.32 1rdu n HIS 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1rdu n GLY 49 N -1.91 0.89 2.92 1.57 0.00 -1.26 -5.06 105.19 102.34 1rdu n GLY 49 Ca 0.00 -2.28 -0.18 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.07 0.48 0.00 2.61 -1.32 -1.26 -5.07 115.64 110.01 1rdu s THR 50 Ca 0.00 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1rdu s THR 50 Cb 0.00 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 1rdu s THR 50 CO 0.00 0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 1rdu n GLY 51 N 3.58 -1.85 0.19 6.08 0.00 -1.26 -4.86 105.19 107.07 1rdu n GLY 51 Ca -0.21 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.37 0.00 1.61 0.13 -1.98 -3.47 132.00 127.93 1rdu h PRO 52 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1rdu h PRO 52 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1rdu h PRO 52 CO 0.00 -0.02 0.00 1.17 -0.23 0.00 0.00 178.00 178.92 1rdu n LYS 53 N -5.08 0.00 0.13 0.86 0.00 -1.26 -4.17 118.16 108.65 1rdu n LYS 53 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.09 1rdu n LYS 53 Cb 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.22 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1rdu h VAL 54 N 0.00 0.00 0.11 3.15 3.04 -1.98 -1.22 116.25 119.35 1rdu h VAL 54 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 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 -0.16 0.58 -1.01 0.00 0.00 177.57 176.98 1rdu h VAL 55 N -0.64 0.63 -0.74 1.51 2.07 -1.96 -2.84 116.25 114.29 1rdu h VAL 55 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1rdu h VAL 55 Cb 0.60 0.63 -0.13 0.00 -1.52 0.00 0.00 31.29 30.87 1rdu h VAL 55 CO -0.16 0.00 -0.05 1.56 0.02 0.00 0.00 177.57 178.94 1rdu h GLN 56 N -0.32 0.07 0.68 1.57 1.08 -1.78 0.64 115.11 117.03 1rdu h GLN 56 Ca 0.02 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1rdu h GLN 56 Cb 0.33 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1rdu h GLN 56 CO -0.08 0.04 -0.32 1.03 -0.95 0.00 0.00 178.83 178.55 1rdu h SER 57 N 0.07 -0.77 -0.53 1.46 0.87 -1.05 -1.44 113.55 112.16 1rdu h SER 57 Ca 0.39 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 61.06 1rdu h SER 57 Cb 0.66 0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.75 1rdu h SER 57 CO -0.69 -0.51 0.15 -0.07 -0.53 0.00 0.00 176.83 175.18 1rdu h LEU 58 N -0.98 0.09 -0.54 2.23 3.38 -1.19 -0.87 115.31 117.42 1rdu h LEU 58 Ca -0.09 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1rdu h LEU 58 Cb 0.70 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1rdu h LEU 58 CO 0.15 0.07 0.27 0.58 0.09 0.00 0.00 178.44 179.60 1rdu h VAL 59 N 0.30 0.93 0.00 1.22 2.07 -0.94 -0.32 116.25 119.52 1rdu h VAL 59 Ca 0.27 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1rdu h VAL 59 Cb 0.34 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1rdu h VAL 59 CO -0.31 0.09 0.00 -1.20 0.02 0.00 0.00 177.57 176.17 1rdu n SER 60 N -4.89 0.00 -1.75 0.57 7.64 -0.36 -1.02 113.62 113.81 1rdu n SER 60 Ca 0.05 -1.08 -0.15 0.00 1.01 0.00 0.00 58.87 58.70 1rdu n SER 60 Cb 0.16 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.60 2.98 -0.72 1.43 5.02 -0.15 -4.99 118.16 121.14 1rdu n LYS 61 Ca 0.03 -3.90 0.00 0.00 -2.02 0.00 0.00 58.31 52.42 1rdu n LYS 61 Cb 0.01 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 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 -0.77 0.00 3.49 0.72 0.00 -0.19 -4.92 105.19 103.52 1rdu n GLY 62 Ca 0.35 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.90 1rdu n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rdu n VAL 63 N -1.87 0.19 -1.45 1.61 0.31 -1.11 -4.62 118.33 111.40 1rdu n VAL 63 Ca 0.00 -0.35 -0.25 0.00 -0.01 0.00 0.00 64.34 63.74 1rdu n VAL 63 Cb 0.25 -1.92 0.12 0.00 -0.91 0.00 0.00 33.84 31.38 1rdu n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rdu n GLU 64 N 8.43 2.57 -3.60 5.55 -0.58 -0.73 -4.69 120.64 127.58 1rdu n GLU 64 Ca 0.39 -3.35 0.01 0.00 -0.42 0.00 0.00 57.16 53.80 1rdu n GLU 64 Cb 0.30 -2.17 -0.01 0.00 -0.57 0.00 0.00 31.44 29.00 1rdu n GLU 64 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1rdu s TYR 65 N -3.55 -0.04 -0.10 -0.32 2.02 -1.16 -2.84 117.35 111.35 1rdu s TYR 65 Ca 0.57 -0.03 -0.30 0.00 -0.37 0.00 0.00 57.07 56.94 1rdu s TYR 65 Cb 0.47 0.53 0.11 0.00 -0.40 0.00 0.00 41.96 42.66 1rdu s TYR 65 CO 0.03 -0.18 0.90 -1.17 -1.57 0.00 0.00 175.55 173.56 1rdu s LEU 66 N -2.84 -0.43 -0.43 -1.29 2.96 0.11 -2.56 118.68 114.19 1rdu s LEU 66 Ca 0.14 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1rdu s LEU 66 Cb 0.05 2.04 0.12 0.00 0.50 0.00 0.00 46.19 48.90 1rdu s LEU 66 CO -0.05 -0.46 0.16 -0.63 -1.32 0.00 0.00 176.35 174.05 1rdu s ILE 67 N -1.58 2.45 -0.24 6.68 1.01 -0.17 -0.30 121.20 129.05 1rdu s ILE 67 Ca -0.02 -2.85 -0.03 0.00 0.00 0.00 0.00 60.65 57.75 1rdu s ILE 67 Cb -0.00 -2.75 0.12 0.00 0.01 0.00 0.00 42.46 39.84 1rdu s ILE 67 CO 0.01 -0.70 0.33 0.00 0.00 0.00 0.00 174.94 174.58 1rdu s ALA 68 N 0.29 -0.84 0.56 9.38 0.00 0.91 -4.05 121.76 128.02 1rdu s ALA 68 Ca 0.14 0.62 0.33 0.00 0.00 0.00 0.00 51.96 53.05 1rdu s ALA 68 Cb -0.23 -1.61 1.46 0.00 0.00 0.00 0.00 23.12 22.74 1rdu s ALA 68 CO -0.04 -1.30 1.78 0.66 0.00 0.00 0.00 175.76 176.86 1rdu h SER 69 N 8.22 0.00 -5.44 0.00 4.64 -1.72 -3.37 113.55 115.88 1rdu h SER 69 Ca -0.18 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.32 1rdu h SER 69 Cb 1.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1rdu h SER 69 CO 0.28 0.00 0.60 0.20 -0.87 0.00 0.00 176.83 177.04 1rdu s ASN 70 N -5.03 -0.00 0.12 4.97 0.02 -1.26 -4.81 114.94 108.95 1rdu s ASN 70 Ca -0.04 -0.64 0.05 0.00 -1.02 0.00 0.00 52.86 51.21 1rdu s ASN 70 Cb 0.20 0.48 -0.04 0.00 0.02 0.00 0.00 41.25 41.91 1rdu s ASN 70 CO 0.69 -0.95 -0.13 0.54 0.02 0.00 0.00 177.10 177.27 1rdu s VAL 71 N -2.20 1.25 0.13 1.60 0.11 -1.26 -0.52 120.40 119.50 1rdu s VAL 71 Ca 0.22 -1.72 -0.32 0.00 -2.93 0.00 0.00 61.98 57.23 1rdu s VAL 71 Cb -0.02 -1.52 -0.09 0.00 -1.53 0.00 0.00 36.38 33.22 1rdu s VAL 71 CO 0.05 -0.46 1.56 1.23 -3.33 0.00 0.00 175.10 174.15 1rdu h GLY 72 N 3.48 -0.93 0.00 6.54 0.00 -1.85 -3.45 103.07 106.86 1rdu h GLY 72 Ca -0.39 0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1rdu h GLY 72 CO 0.52 -0.20 0.00 0.54 0.00 0.00 0.00 176.54 177.40 1rdu n ARG 73 N -5.43 -2.05 -3.75 4.80 1.74 -1.26 -4.99 116.66 105.72 1rdu n ARG 73 Ca -0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.90 1rdu n ARG 73 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1rdu n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1rdu n ASN 74 N 3.00 -1.00 0.00 0.55 4.05 -1.26 -4.65 115.26 115.94 1rdu n ASN 74 Ca 0.00 -0.37 0.00 0.00 0.45 0.00 0.00 54.58 54.66 1rdu n ASN 74 Cb 0.00 -0.44 0.00 0.00 1.23 0.00 0.00 39.78 40.57 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rdu n ALA 75 N -2.10 0.27 0.02 5.20 0.00 -1.26 -4.85 120.51 117.79 1rdu n ALA 75 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1rdu n ALA 75 Cb 0.16 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.02 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 0.48 -0.12 0.00 3.57 -2.00 -0.61 116.94 118.25 1rdu h PHE 76 Ca 0.00 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1rdu h PHE 76 Cb 0.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1rdu h PHE 76 CO 0.00 0.36 -0.53 0.93 -2.23 0.00 0.00 178.31 176.84 1rdu h GLU 77 N 0.49 0.35 0.00 1.11 5.08 -1.98 -3.07 114.58 116.56 1rdu h GLU 77 Ca 0.13 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1rdu h GLU 77 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1rdu h GLU 77 CO -0.02 0.79 -0.38 1.15 -1.00 0.00 0.00 179.01 179.55 1rdu h THR 78 N 0.27 0.00 0.27 1.13 2.02 -1.57 -2.24 112.91 112.79 1rdu h THR 78 Ca 0.01 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1rdu h THR 78 Cb 1.02 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1rdu h THR 78 CO 0.09 0.00 -0.13 -0.07 0.37 0.00 0.00 175.52 175.78 1rdu h LEU 79 N 0.00 -0.30 -2.22 2.58 3.38 -1.08 -3.26 115.31 114.41 1rdu h LEU 79 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1rdu h LEU 79 Cb 0.83 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1rdu h LEU 79 CO 0.00 -0.18 -0.03 0.07 0.09 0.00 0.00 178.44 178.39 1rdu h LYS 80 N -0.43 0.00 -0.78 1.13 2.10 -1.60 0.24 116.57 117.23 1rdu h LYS 80 Ca -0.04 0.00 0.21 0.00 -2.00 0.00 0.00 60.65 58.83 1rdu h LYS 80 Cb 0.27 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.57 1rdu h LYS 80 CO 0.06 0.03 0.55 0.00 -2.00 0.00 0.00 179.45 178.09 1rdu h ALA 81 N 1.97 2.60 -0.77 0.07 0.00 -1.47 0.15 119.26 121.80 1rdu h ALA 81 Ca -0.00 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.37 1rdu h ALA 81 Cb 0.06 0.04 -0.31 0.00 0.00 0.00 0.00 17.79 17.57 1rdu h ALA 81 CO 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 179.25 178.45 1rdu n ALA 82 N -2.65 5.40 -2.11 0.00 0.00 0.03 -4.96 120.51 116.22 1rdu n ALA 82 Ca 0.16 -3.50 -0.10 0.00 0.00 0.00 0.00 53.44 49.99 1rdu n ALA 82 Cb 0.79 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.90 -0.06 3.62 0.00 0.00 0.04 -4.79 105.19 103.11 1rdu n GLY 83 Ca 0.50 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.32 4.37 -0.65 1.61 1.01 -0.92 -4.67 120.40 118.83 1rdu s VAL 84 Ca 0.00 1.52 -0.28 0.00 0.00 0.00 0.00 61.98 63.22 1rdu s VAL 84 Cb 0.00 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.95 1rdu s VAL 84 CO 0.00 -0.67 1.26 -0.54 0.00 0.00 0.00 175.10 175.15 1rdu s LYS 85 N 3.99 3.35 -0.44 2.72 1.02 -1.13 -4.29 119.74 124.96 1rdu s LYS 85 Ca 0.47 0.06 -0.21 0.00 0.02 0.00 0.00 55.97 56.32 1rdu s LYS 85 Cb -0.11 -4.10 0.02 0.00 -0.52 0.00 0.00 37.83 33.13 1rdu s LYS 85 CO 0.22 -1.92 0.64 0.08 -0.92 0.00 0.00 175.35 173.45 1rdu s VAL 86 N 5.44 4.84 0.67 3.17 1.01 -1.26 -0.71 120.40 133.55 1rdu s VAL 86 Ca 0.41 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 1rdu s VAL 86 Cb -0.08 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1rdu s VAL 86 CO 0.21 -0.60 1.06 -0.31 0.00 0.00 0.00 175.10 175.46 1rdu s TYR 87 N 2.79 3.45 0.48 5.22 1.51 0.59 -0.76 117.35 130.64 1rdu s TYR 87 Ca 0.22 1.18 -0.18 0.00 -1.01 0.00 0.00 57.07 57.27 1rdu s TYR 87 Cb -0.14 -2.90 -0.09 0.00 -0.11 0.00 0.00 41.96 38.72 1rdu s TYR 87 CO 0.19 -0.97 0.98 0.50 -1.11 0.00 0.00 175.55 175.14 1rdu s ARG 88 N -5.26 4.02 0.20 -0.62 6.06 0.99 -0.06 118.95 124.28 1rdu s ARG 88 Ca 0.57 1.04 0.03 0.00 -2.50 0.00 0.00 55.73 54.88 1rdu s ARG 88 Cb -0.11 -2.15 -0.05 0.00 0.06 0.00 0.00 34.95 32.70 1rdu s ARG 88 CO 0.53 -0.21 -0.03 -0.59 -2.50 0.00 0.00 175.30 172.50 1rdu s PHE 89 N -2.42 1.42 -0.36 5.12 -0.71 -1.26 -4.06 117.98 115.70 1rdu s PHE 89 Ca 0.61 -0.90 0.04 0.00 -1.04 0.00 0.00 56.93 55.64 1rdu s PHE 89 Cb -0.10 -0.80 0.16 0.00 -1.21 0.00 0.00 43.02 41.08 1rdu s PHE 89 CO 0.24 -0.04 0.45 -2.00 -1.34 0.00 0.00 175.22 172.54 1rdu s GLU 90 N -3.84 0.63 0.00 1.99 2.12 -1.26 -4.16 118.70 114.18 1rdu s GLU 90 Ca 0.25 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1rdu s GLU 90 Cb 0.05 -0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.04 1rdu s GLU 90 CO 0.06 -1.15 0.00 0.41 -0.54 0.00 0.00 175.26 174.03 1rdu n GLY 91 N 4.57 -1.58 3.60 -1.50 0.00 -1.26 -5.13 105.19 103.90 1rdu n GLY 91 Ca 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.27 -0.28 0.80 -0.02 0.00 -1.26 -5.04 107.32 101.25 1rdu s GLY 92 Ca 0.00 1.64 -0.10 0.00 0.00 0.00 0.00 44.72 46.25 1rdu s GLY 92 CO 0.00 0.55 1.14 -0.51 0.00 0.00 0.00 173.10 174.28 1rdu s THR 93 N -2.38 2.10 0.30 0.90 -4.23 -1.26 -1.98 115.64 109.11 1rdu s THR 93 Ca 0.10 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.53 1rdu s THR 93 Cb -0.01 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.17 1rdu s THR 93 CO -0.04 0.00 1.67 0.58 -0.54 0.00 0.00 174.62 176.29 1rdu h VAL 94 N -1.00 0.37 -0.48 2.29 2.07 -0.89 -0.17 116.25 118.44 1rdu h VAL 94 Ca -0.44 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1rdu h VAL 94 Cb 1.30 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1rdu h VAL 94 CO 0.55 0.06 0.24 -0.61 0.02 0.00 0.00 177.57 177.83 1rdu h GLN 95 N 0.32 0.67 -0.31 1.57 -0.00 -1.61 -3.02 115.11 112.74 1rdu h GLN 95 Ca 0.61 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 59.15 1rdu h GLN 95 Cb 1.24 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 28.58 1rdu h GLN 95 CO -0.59 0.51 0.06 0.93 0.00 0.00 0.00 178.83 179.74 1rdu h GLU 96 N 0.67 0.50 -0.92 1.69 4.39 -1.34 0.12 114.58 119.69 1rdu h GLU 96 Ca 0.17 -0.13 0.27 0.00 0.34 0.00 0.00 59.36 60.01 1rdu h GLU 96 Cb 0.06 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1rdu h GLU 96 CO -0.02 0.58 0.70 0.00 -1.16 0.00 0.00 179.01 179.11 1rdu h ALA 97 N 0.89 2.84 0.00 3.43 0.00 -1.45 0.20 119.26 125.17 1rdu h ALA 97 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rdu h ALA 97 Cb 0.32 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rdu h ALA 97 CO 0.00 -1.17 -0.44 0.82 0.00 0.00 0.00 179.25 178.46 1rdu h ILE 98 N 0.00 0.00 -0.95 0.00 1.08 -1.21 -3.07 117.51 113.35 1rdu h ILE 98 Ca 0.44 -0.91 0.22 0.00 -0.39 0.00 0.00 64.86 64.22 1rdu h ILE 98 Cb 1.83 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.46 1rdu h ILE 98 CO -0.00 0.00 0.51 -0.78 -0.69 0.00 0.00 178.15 177.18 1rdu h ASP 99 N -0.91 0.55 0.31 1.72 3.58 -0.68 0.45 116.42 121.45 1rdu h ASP 99 Ca 0.00 0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1rdu h ASP 99 Cb 0.44 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1rdu h ASP 99 CO 0.00 0.10 -0.15 0.00 -2.88 0.00 0.00 179.24 176.30 1rdu h ALA 100 N 1.70 -0.42 -0.33 -0.78 0.00 -0.78 -2.41 119.26 116.24 1rdu h ALA 100 Ca 0.59 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.34 1rdu h ALA 100 Cb 1.07 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1rdu h ALA 100 CO -0.47 -0.55 0.15 0.35 0.00 0.00 0.00 179.25 178.73 1rdu h PHE 101 N -0.80 0.28 -0.16 0.00 3.57 -1.10 0.28 116.94 118.99 1rdu h PHE 101 Ca -0.04 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 1rdu h PHE 101 Cb 0.52 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1rdu h PHE 101 CO 0.03 0.14 -0.36 0.66 -2.23 0.00 0.00 178.31 176.55 1rdu h SER 102 N 0.32 0.36 -0.84 0.41 4.64 -0.20 -2.23 113.55 116.00 1rdu h SER 102 Ca 0.14 -0.14 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1rdu h SER 102 Cb 0.07 -0.10 -0.31 0.00 -0.31 0.00 0.00 62.40 61.75 1rdu h SER 102 CO -0.11 0.69 0.22 -0.62 -0.87 0.00 0.00 176.83 176.14 1rdu n GLU 103 N -4.06 2.82 -4.08 4.77 1.02 -0.91 -4.96 120.64 115.24 1rdu n GLU 103 Ca -0.01 -3.52 -0.31 0.00 -0.02 0.00 0.00 57.16 53.30 1rdu n GLU 103 Cb 0.46 -2.22 -0.02 0.00 -0.02 0.00 0.00 31.44 29.64 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 -0.90 -0.35 1.82 0.62 0.00 -0.84 -4.89 105.19 100.65 1rdu n GLY 104 Ca 0.53 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.42 3.21 -4.35 1.61 1.74 0.93 -5.01 116.66 110.36 1rdu n ARG 105 Ca -0.11 -3.95 -0.18 0.00 -0.77 0.00 0.00 57.85 52.84 1rdu n ARG 105 Cb 0.58 -2.17 -0.10 0.00 -1.02 0.00 0.00 32.46 29.75 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 -3.55 1.76 0.06 0.55 1.43 -1.25 -4.71 118.68 112.97 1rdu s LEU 106 Ca 0.50 -1.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 1rdu s LEU 106 Cb 0.41 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.54 1rdu s LEU 106 CO 0.02 -0.72 -0.10 -1.61 0.23 0.00 0.00 176.35 174.17 1rdu s GLU 107 N -3.99 2.26 -0.18 1.70 2.02 -1.26 -4.97 118.70 114.29 1rdu s GLU 107 Ca 0.37 -0.92 -0.29 0.00 0.02 0.00 0.00 54.97 54.15 1rdu s GLU 107 Cb 0.08 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1rdu s GLU 107 CO 0.14 0.54 1.03 -2.00 0.02 0.00 0.00 175.26 175.00 1rdu s GLU 108 N -1.83 4.32 -0.99 1.61 2.12 -1.26 -0.01 118.70 122.67 1rdu s GLU 108 Ca 0.19 1.38 -0.02 0.00 0.36 0.00 0.00 54.97 56.88 1rdu s GLU 108 Cb -0.11 -3.61 0.31 0.00 0.26 0.00 0.00 34.13 30.98 1rdu s GLU 108 CO 0.10 -0.52 1.46 -0.11 -0.54 0.00 0.00 175.26 175.65 1rdu n LEU 109 N 5.85 6.25 -2.12 2.70 7.94 0.06 -4.80 117.00 132.87 1rdu n LEU 109 Ca 0.11 -5.32 -0.26 0.00 -1.11 0.00 0.00 56.01 49.43 1rdu n LEU 109 Cb 0.47 -1.13 0.08 0.00 0.53 0.00 0.00 43.42 43.37 1rdu n LEU 109 CO 0.52 1.87 1.31 0.35 -1.11 0.00 0.00 177.39 180.33 1rdu n THR 110 N 0.82 3.19 0.00 1.96 -2.24 -1.26 -4.78 114.28 111.96 1rdu n THR 110 Ca 0.32 -2.24 0.00 0.00 -2.27 0.00 0.00 64.05 59.86 1rdu n THR 110 Cb 0.33 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.53 0.00 -3.76 4.28 5.66 -1.26 -5.19 114.28 113.48 1rdu n THR 111 Ca 0.50 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.45 1rdu n THR 111 Cb 0.82 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.58 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 -2.00 -0.17 0.38 1.09 -0.12 -1.26 -5.15 117.98 110.74 1rdu s PHE 112 Ca 0.00 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.72 1rdu s PHE 112 Cb 0.00 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1rdu s PHE 112 CO 0.00 -0.92 0.57 0.99 -0.05 0.00 0.00 175.22 175.81 1rdu s THR 113 N -3.45 4.65 -0.30 -4.49 2.01 -1.26 -5.11 115.64 107.70 1rdu s THR 113 Ca 0.11 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1rdu s THR 113 Cb -0.03 -3.70 0.19 0.00 0.01 0.00 0.00 72.50 68.98 1rdu s THR 113 CO 0.03 -0.44 0.73 -0.60 -0.69 0.00 0.00 174.62 173.65 1rdu s ARG 114 N -4.37 0.45 -0.13 4.92 6.06 -1.26 -5.04 118.95 119.58 1rdu s ARG 114 Ca 0.43 0.72 -0.00 0.00 -2.50 0.00 0.00 55.73 54.38 1rdu s ARG 114 Cb -0.10 0.39 0.10 0.00 0.06 0.00 0.00 34.95 35.40 1rdu s ARG 114 CO 0.36 -0.56 1.87 -0.85 -2.50 0.00 0.00 175.30 173.62 1rdu n GLU 115 N 5.42 1.32 0.00 5.12 0.00 -1.26 -5.30 120.64 125.94 1rdu n GLU 115 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 57.16 56.50 1rdu n GLU 115 Cb 0.53 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.71 1rdu n GLU 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54