#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 0.00 -3.51 3.17 0.00 -1.26 -4.92 120.51 113.99 1rdu n ALA 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1rdu n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -2.00 2.69 0.50 0.00 0.52 -1.26 -1.43 118.95 117.97 1rdu s ARG 3 Ca 0.00 -1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 53.94 1rdu s ARG 3 Cb 0.00 -3.21 -0.08 0.00 0.52 0.00 0.00 34.95 32.18 1rdu s ARG 3 CO 0.00 -0.54 0.99 0.54 0.02 0.00 0.00 175.30 176.31 1rdu s VAL 4 N 1.34 4.44 0.12 3.52 0.11 -1.15 0.07 120.40 128.84 1rdu s VAL 4 Ca -0.02 1.24 0.10 0.00 -2.93 0.00 0.00 61.98 60.37 1rdu s VAL 4 Cb -0.18 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 1rdu s VAL 4 CO -0.01 -0.60 -0.26 0.00 -3.33 0.00 0.00 175.10 170.90 1rdu s ALA 5 N -2.52 2.30 -0.13 1.54 0.00 -1.24 -2.74 121.76 118.98 1rdu s ALA 5 Ca 0.60 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 1rdu s ALA 5 Cb -0.10 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1rdu s ALA 5 CO 0.28 0.52 -0.06 0.42 0.00 0.00 0.00 175.76 176.92 1rdu s ILE 6 N -1.04 0.97 0.05 0.00 1.09 0.07 -1.40 121.20 120.94 1rdu s ILE 6 Ca 0.13 -0.36 -0.31 0.00 -1.10 0.00 0.00 60.65 59.01 1rdu s ILE 6 Cb -0.10 -1.07 -0.07 0.00 -1.06 0.00 0.00 42.46 40.16 1rdu s ILE 6 CO 0.05 0.26 1.49 -2.16 -0.10 0.00 0.00 174.94 174.49 1rdu s PRO 7 N 1.72 4.26 0.41 2.79 0.04 -1.26 -1.23 135.00 141.72 1rdu s PRO 7 Ca 0.03 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.24 1rdu s PRO 7 Cb -0.13 -3.50 -0.05 0.00 0.04 0.00 0.00 34.50 30.86 1rdu s PRO 7 CO -0.08 -0.60 0.05 0.45 0.04 0.00 0.00 177.00 176.86 1rdu s SER 8 N 1.87 3.18 -0.22 6.66 0.15 0.66 -0.79 113.70 125.21 1rdu s SER 8 Ca 0.68 -1.52 0.18 0.00 0.70 0.00 0.00 55.95 55.99 1rdu s SER 8 Cb -0.36 0.15 0.47 0.00 -1.71 0.00 0.00 66.02 64.57 1rdu s SER 8 CO 0.29 -0.72 1.15 1.33 1.20 0.00 0.00 173.24 176.50 1rdu n VAL 9 N -0.93 1.45 0.00 4.45 0.24 -1.17 -1.68 118.33 120.69 1rdu n VAL 9 Ca -0.08 -2.94 0.00 0.00 -2.04 0.00 0.00 64.34 59.29 1rdu n VAL 9 Cb 0.66 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 -0.48 -0.66 2.10 7.63 0.00 -1.26 -4.91 105.19 107.60 1rdu n GLY 10 Ca 0.17 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.11 3.47 -4.06 1.61 2.85 -1.26 -4.73 118.16 115.92 1rdu n LYS 11 Ca 0.00 -4.13 -0.09 0.00 -1.05 0.00 0.00 58.31 53.04 1rdu n LYS 11 Cb 0.00 -2.23 -0.11 0.00 -0.65 0.00 0.00 35.03 32.05 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 -3.61 0.56 0.35 -5.58 1.01 -1.26 -5.04 116.67 103.10 1rdu s ASP 12 Ca 0.49 -0.77 0.26 0.00 0.71 0.00 0.00 52.55 53.24 1rdu s ASP 12 Cb 0.40 0.13 1.22 0.00 1.01 0.00 0.00 42.92 45.68 1rdu s ASP 12 CO 0.03 -0.42 1.78 0.25 0.21 0.00 0.00 175.17 177.01 1rdu h LEU 13 N 3.81 0.00 -3.78 1.23 7.12 -1.99 -0.98 115.31 120.71 1rdu h LEU 13 Ca -0.34 0.00 -0.55 0.00 0.13 0.00 0.00 57.88 57.13 1rdu h LEU 13 Cb 1.18 0.00 -0.34 0.00 -0.53 0.00 0.00 40.66 40.97 1rdu h LEU 13 CO 0.54 0.00 -0.13 -1.54 -0.13 0.00 0.00 178.44 177.18 1rdu n SER 14 N -2.41 5.54 -4.99 1.25 3.41 -1.26 -1.58 113.62 113.57 1rdu n SER 14 Ca 0.00 -3.77 -0.19 0.00 -0.26 0.00 0.00 58.87 54.65 1rdu n SER 14 Cb 0.16 -0.60 0.02 0.00 -0.26 0.00 0.00 64.21 63.52 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 -2.84 5.62 0.09 4.04 0.01 -0.38 -4.85 113.70 115.40 1rdu s SER 15 Ca 0.55 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 57.33 1rdu s SER 15 Cb 0.44 -0.93 -0.06 0.00 0.21 0.00 0.00 66.02 65.69 1rdu s SER 15 CO 0.02 -0.81 1.05 -0.04 0.41 0.00 0.00 173.24 173.87 1rdu s MET 16 N -4.46 4.59 0.28 12.44 -1.94 -1.26 -0.16 119.30 128.78 1rdu s MET 16 Ca 0.53 1.58 -0.29 0.00 -1.71 0.00 0.00 55.69 55.80 1rdu s MET 16 Cb -0.10 -3.36 -0.10 0.00 2.01 0.00 0.00 34.83 33.28 1rdu s MET 16 CO 0.35 0.02 1.19 0.08 -0.01 0.00 0.00 175.02 176.65 1rdu s VAL 17 N 0.37 3.21 0.07 -6.03 1.01 -0.56 -3.05 120.40 115.42 1rdu s VAL 17 Ca 0.51 1.18 -0.22 0.00 0.00 0.00 0.00 61.98 63.45 1rdu s VAL 17 Cb -0.26 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 1rdu s VAL 17 CO 0.31 0.27 0.67 -0.55 0.00 0.00 0.00 175.10 175.79 1rdu s SER 18 N -0.57 7.15 -0.04 3.32 0.15 0.03 -4.89 113.70 118.84 1rdu s SER 18 Ca 0.48 1.37 -0.00 0.00 0.70 0.00 0.00 55.95 58.49 1rdu s SER 18 Cb -0.35 -2.42 0.03 0.00 -1.71 0.00 0.00 66.02 61.57 1rdu s SER 18 CO 0.45 0.15 1.76 0.47 1.20 0.00 0.00 173.24 177.27 1rdu n ASP 19 N 2.22 4.87 0.00 5.45 8.00 -1.26 -4.44 116.55 131.39 1rdu n ASP 19 Ca -0.06 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 53.04 1rdu n ASP 19 Cb 0.50 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 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 1.10 0.00 -0.06 -1.24 1.85 -1.25 -4.28 116.66 112.78 1rdu n ARG 20 Ca 0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.82 1rdu n ARG 20 Cb 0.53 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.92 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 -0.20 -0.42 2.89 3.57 -1.24 -2.54 116.94 118.99 1rdu h PHE 21 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1rdu h PHE 21 Cb 0.00 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1rdu h PHE 21 CO 0.00 -0.14 0.00 0.00 -2.23 0.00 0.00 178.31 175.94 1rdu n ALA 22 N -2.54 2.76 -2.46 2.41 0.00 -1.26 -2.83 120.51 116.59 1rdu n ALA 22 Ca -0.01 -0.94 -0.09 0.00 0.00 0.00 0.00 53.44 52.40 1rdu n ALA 22 Cb 0.17 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.66 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 0.68 2.41 -5.18 0.00 5.12 -0.99 -4.68 116.66 114.03 1rdu n ARG 23 Ca 0.16 -3.71 -0.32 0.00 -1.93 0.00 0.00 57.85 52.06 1rdu n ARG 23 Cb 0.55 -1.81 -0.15 0.00 -1.16 0.00 0.00 32.46 29.88 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 -3.56 2.31 0.00 7.54 0.00 -1.05 -4.81 121.76 122.19 1rdu s ALA 24 Ca 0.37 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1rdu s ALA 24 Cb 0.36 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1rdu s ALA 24 CO -0.01 0.52 0.00 0.39 0.00 0.00 0.00 175.76 176.66 1rdu n GLU 25 N 2.46 0.00 -2.50 0.00 1.02 -0.67 -4.42 120.64 116.52 1rdu n GLU 25 Ca -0.16 0.14 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 1rdu n GLU 25 Cb 0.51 -0.54 -0.02 0.00 -0.02 0.00 0.00 31.44 31.38 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 -0.57 3.51 -0.06 -0.32 1.51 -0.86 -1.21 117.35 119.37 1rdu s TYR 26 Ca 0.00 1.17 -0.00 0.00 -1.01 0.00 0.00 57.07 57.22 1rdu s TYR 26 Cb 0.00 -2.57 0.03 0.00 -0.11 0.00 0.00 41.96 39.31 1rdu s TYR 26 CO 0.00 -0.32 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.04 1rdu s PHE 27 N -2.66 0.64 -0.38 2.71 0.40 -0.11 -0.25 117.98 118.32 1rdu s PHE 27 Ca 0.53 -0.15 -0.19 0.00 -0.60 0.00 0.00 56.93 56.52 1rdu s PHE 27 Cb -0.10 -0.70 0.01 0.00 0.51 0.00 0.00 43.02 42.74 1rdu s PHE 27 CO 0.38 -0.25 0.56 0.42 0.70 0.00 0.00 175.22 177.03 1rdu s ILE 28 N 1.49 4.95 -0.36 0.64 -1.09 -0.37 -0.50 121.20 125.96 1rdu s ILE 28 Ca -0.02 0.24 -0.15 0.00 -2.23 0.00 0.00 60.65 58.49 1rdu s ILE 28 Cb -0.13 -4.06 -0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1rdu s ILE 28 CO -0.03 -0.36 0.33 -0.63 -1.23 0.00 0.00 174.94 173.02 1rdu s ILE 29 N 2.53 5.21 0.28 2.92 1.01 -0.52 -0.75 121.20 131.89 1rdu s ILE 29 Ca 0.20 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1rdu s ILE 29 Cb -0.15 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 1rdu s ILE 29 CO 0.15 -0.15 0.56 -0.47 0.00 0.00 0.00 174.94 175.04 1rdu s TYR 30 N 1.89 3.47 -0.27 3.97 5.04 -1.11 -1.44 117.35 128.90 1rdu s TYR 30 Ca 0.09 0.70 0.02 0.00 -2.44 0.00 0.00 57.07 55.44 1rdu s TYR 30 Cb -0.17 -2.15 0.08 0.00 0.35 0.00 0.00 41.96 40.06 1rdu s TYR 30 CO 0.11 0.17 -0.01 0.34 -1.34 0.00 0.00 175.55 174.82 1rdu s ASP 31 N -3.02 4.18 -0.05 4.32 -1.08 0.01 -2.95 116.67 118.08 1rdu s ASP 31 Ca 0.45 -1.51 0.00 0.00 -0.52 0.00 0.00 52.55 50.97 1rdu s ASP 31 Cb -0.11 -1.29 0.04 0.00 -1.46 0.00 0.00 42.92 40.10 1rdu s ASP 31 CO 0.28 -0.29 1.68 0.35 0.52 0.00 0.00 175.17 177.72 1rdu n THR 32 N 4.56 1.80 -0.03 1.71 -2.24 -0.52 -0.85 114.28 118.72 1rdu n THR 32 Ca -0.07 -0.51 -0.04 0.00 -2.27 0.00 0.00 64.05 61.16 1rdu n THR 32 Cb 0.43 -1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 67.35 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 0.98 0.22 -1.93 -0.78 1.02 -1.26 -2.02 120.64 116.86 1rdu n GLU 33 Ca 0.05 0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 57.14 1rdu n GLU 33 Cb 0.54 -0.82 0.05 0.00 -0.02 0.00 0.00 31.44 31.19 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 -3.46 3.67 -0.81 1.62 7.64 -1.21 -4.98 113.62 116.09 1rdu n SER 34 Ca -0.06 -3.39 -0.10 0.00 1.01 0.00 0.00 58.87 56.33 1rdu n SER 34 Cb 0.21 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.70 0.93 3.76 0.23 0.00 -0.03 -4.92 105.19 104.46 1rdu n GLY 35 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.20 4.32 -0.01 1.61 0.01 -1.20 -4.70 114.94 112.77 1rdu s ASN 36 Ca 0.00 1.83 -0.06 0.00 -0.71 0.00 0.00 52.86 53.91 1rdu s ASN 36 Cb 0.00 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.16 1rdu s ASN 36 CO 0.00 -2.15 0.13 -0.69 -1.51 0.00 0.00 177.10 172.88 1rdu s VAL 37 N -2.89 0.07 -0.01 1.60 1.01 -1.26 -0.81 120.40 118.12 1rdu s VAL 37 Ca 0.62 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1rdu s VAL 37 Cb -0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1rdu s VAL 37 CO 0.56 -0.31 -0.13 -0.70 0.00 0.00 0.00 175.10 174.53 1rdu s GLU 38 N -1.08 1.01 -0.43 2.72 2.56 -0.52 -4.99 118.70 117.98 1rdu s GLU 38 Ca -0.12 -0.47 -0.17 0.00 0.00 0.00 0.00 54.97 54.22 1rdu s GLU 38 Cb -0.06 -0.98 0.03 0.00 2.00 0.00 0.00 34.13 35.12 1rdu s GLU 38 CO 0.01 0.27 0.40 0.08 -0.56 0.00 0.00 175.26 175.46 1rdu s VAL 39 N -0.33 5.14 0.34 3.70 1.01 -1.26 -1.43 120.40 127.57 1rdu s VAL 39 Ca 0.05 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 1rdu s VAL 39 Cb -0.05 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 1rdu s VAL 39 CO -0.00 -0.43 0.96 -0.69 0.00 0.00 0.00 175.10 174.94 1rdu s VAL 40 N 1.98 4.16 -0.31 2.92 1.01 0.34 -4.93 120.40 125.56 1rdu s VAL 40 Ca 0.09 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1rdu s VAL 40 Cb -0.18 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.31 1rdu s VAL 40 CO 0.12 0.11 0.01 -0.70 0.00 0.00 0.00 175.10 174.63 1rdu s GLU 41 N -2.15 2.19 -0.28 2.72 2.12 -1.26 -0.93 118.70 121.11 1rdu s GLU 41 Ca 0.51 -1.45 0.01 0.00 0.36 0.00 0.00 54.97 54.41 1rdu s GLU 41 Cb -0.19 -3.16 0.06 0.00 0.26 0.00 0.00 34.13 31.10 1rdu s GLU 41 CO 0.24 -0.71 -0.06 1.21 -0.54 0.00 0.00 175.26 175.39 1rdu s ASN 42 N 1.24 4.63 -1.39 -1.70 3.84 -0.35 -4.98 114.94 116.23 1rdu s ASN 42 Ca -0.02 -1.40 -0.14 0.00 0.21 0.00 0.00 52.86 51.51 1rdu s ASN 42 Cb -0.20 -1.61 0.07 0.00 -0.55 0.00 0.00 41.25 38.96 1rdu s ASN 42 CO -0.04 -0.23 2.06 0.35 -2.79 0.00 0.00 177.10 176.46 1rdu n THR 43 N 4.49 3.71 -3.64 -5.21 -2.24 -1.26 -4.17 114.28 105.96 1rdu n THR 43 Ca -0.13 -3.49 -0.40 0.00 -2.27 0.00 0.00 64.05 57.77 1rdu n THR 43 Cb 0.42 -2.52 -0.12 0.00 -2.10 0.00 0.00 70.33 66.02 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 2.80 4.33 0.35 2.28 -1.09 -1.26 -5.07 121.20 123.55 1rdu s ILE 44 Ca 0.47 -0.95 0.08 0.00 -2.23 0.00 0.00 60.65 58.02 1rdu s ILE 44 Cb 0.11 -3.43 -0.05 0.00 -1.58 0.00 0.00 42.46 37.51 1rdu s ILE 44 CO -0.04 -0.22 0.11 0.00 -1.23 0.00 0.00 174.94 173.55 1rdu s ALA 45 N 1.51 3.42 -1.47 9.38 0.00 -1.26 -4.35 121.76 128.98 1rdu s ALA 45 Ca 0.01 -1.91 -0.14 0.00 0.00 0.00 0.00 51.96 49.92 1rdu s ALA 45 Cb -0.19 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1rdu s ALA 45 CO 0.05 0.01 2.30 -0.40 0.00 0.00 0.00 175.76 177.73 1rdu n ASP 46 N -1.10 4.33 -4.79 0.00 5.68 -1.26 -4.81 116.55 114.60 1rdu n ASP 46 Ca -0.03 -2.81 -0.34 0.00 -0.50 0.00 0.00 54.79 51.10 1rdu n ASP 46 Cb 0.62 -1.64 -0.07 0.00 -1.14 0.00 0.00 41.12 38.89 1rdu n ASP 46 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rdu s ALA 47 N 3.12 3.60 0.77 2.12 0.00 -1.26 -5.14 121.76 124.97 1rdu s ALA 47 Ca 0.49 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1rdu s ALA 47 Cb 0.14 -1.67 0.05 0.00 0.00 0.00 0.00 23.12 21.65 1rdu s ALA 47 CO -0.08 0.65 1.08 -3.38 0.00 0.00 0.00 175.76 174.03 1rdu s HIS 48 N -1.08 2.89 0.00 0.00 -3.43 -1.26 -5.06 115.29 107.35 1rdu s HIS 48 Ca 0.19 1.26 0.00 0.00 -0.80 0.00 0.00 55.06 55.71 1rdu s HIS 48 Cb -0.12 -3.04 0.00 0.00 -1.43 0.00 0.00 32.58 27.99 1rdu s HIS 48 CO 0.09 -1.62 0.00 0.41 -2.00 0.00 0.00 174.74 171.62 1rdu n GLY 49 N -1.99 1.74 3.29 -1.38 0.00 -1.26 -5.18 105.19 100.41 1rdu n GLY 49 Ca 0.07 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.60 1.53 0.18 2.61 -1.32 -1.26 -5.11 115.64 109.67 1rdu s THR 50 Ca 0.00 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.53 1rdu s THR 50 Cb 0.00 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.20 1rdu s THR 50 CO 0.00 -0.49 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 1rdu n GLY 51 N 0.13 -2.86 0.11 6.08 0.00 -1.26 -4.84 105.19 102.54 1rdu n GLY 51 Ca -0.12 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.39 0.27 0.00 1.61 0.13 -1.99 -3.47 132.00 128.15 1rdu h PRO 52 Ca -0.06 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1rdu h PRO 52 Cb 0.39 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1rdu h PRO 52 CO 0.02 1.09 0.00 1.17 -0.23 0.00 0.00 178.00 180.05 1rdu n LYS 53 N -4.31 0.00 -0.06 0.86 4.81 -1.26 -3.85 118.16 114.35 1rdu n LYS 53 Ca -0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.22 1rdu n LYS 53 Cb 0.65 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.66 1rdu n LYS 53 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1rdu h VAL 54 N 0.00 1.21 0.39 3.15 3.04 -1.99 -0.09 116.25 121.96 1rdu h VAL 54 Ca 0.00 -0.66 -0.02 0.00 -1.01 0.00 0.00 66.70 65.01 1rdu h VAL 54 Cb 0.00 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1rdu h VAL 54 CO 0.00 0.21 -0.19 0.58 -1.01 0.00 0.00 177.57 177.16 1rdu h VAL 55 N 0.13 0.61 -0.77 1.51 2.07 -1.97 -1.44 116.25 116.39 1rdu h VAL 55 Ca 0.06 -0.35 0.18 0.00 0.82 0.00 0.00 66.70 67.41 1rdu h VAL 55 Cb 0.27 0.78 -0.13 0.00 -1.52 0.00 0.00 31.29 30.68 1rdu h VAL 55 CO 0.00 0.06 0.03 1.56 0.02 0.00 0.00 177.57 179.24 1rdu h GLN 56 N -0.73 0.11 0.26 1.57 1.08 -1.81 0.08 115.11 115.68 1rdu h GLN 56 Ca -0.05 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1rdu h GLN 56 Cb 0.51 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1rdu h GLN 56 CO 0.09 0.07 -0.12 0.66 -0.95 0.00 0.00 178.83 178.58 1rdu h SER 57 N 0.11 -0.29 -0.92 1.46 4.64 -0.89 -1.16 113.55 116.51 1rdu h SER 57 Ca 0.43 0.01 0.16 0.00 -0.47 0.00 0.00 61.79 61.92 1rdu h SER 57 Cb 0.76 0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 62.83 1rdu h SER 57 CO -0.66 -0.20 0.51 -0.07 -0.87 0.00 0.00 176.83 175.53 1rdu h LEU 58 N -0.36 0.64 -0.57 5.97 3.38 -0.65 0.51 115.31 124.23 1rdu h LEU 58 Ca -0.04 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1rdu h LEU 58 Cb 0.27 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1rdu h LEU 58 CO 0.06 0.25 0.07 0.58 0.09 0.00 0.00 178.44 179.49 1rdu h VAL 59 N 0.69 1.26 0.00 1.22 2.07 -1.07 -1.01 116.25 119.41 1rdu h VAL 59 Ca 0.51 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1rdu h VAL 59 Cb 0.75 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1rdu h VAL 59 CO -0.37 0.37 0.00 -1.20 0.02 0.00 0.00 177.57 176.38 1rdu n SER 60 N -4.32 0.00 -1.65 0.57 7.64 0.12 -1.17 113.62 114.81 1rdu n SER 60 Ca 0.02 -0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.74 1rdu n SER 60 Cb 0.28 -0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.19 3.05 -1.52 1.43 5.02 -0.39 -5.00 118.16 119.56 1rdu n LYS 61 Ca 0.05 -3.91 -0.15 0.00 -2.02 0.00 0.00 58.31 52.29 1rdu n LYS 61 Cb 0.06 -2.10 -0.06 0.00 -0.02 0.00 0.00 35.03 32.91 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 -0.83 1.31 3.68 0.72 0.00 -0.32 -4.96 105.19 104.80 1rdu n GLY 62 Ca 0.38 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.57 3.52 -0.24 1.61 1.01 -1.16 -4.01 120.40 118.57 1rdu s VAL 63 Ca 0.00 0.81 0.12 0.00 0.00 0.00 0.00 61.98 62.91 1rdu s VAL 63 Cb 0.00 -3.52 0.45 0.00 0.00 0.00 0.00 36.38 33.31 1rdu s VAL 63 CO 0.00 -0.03 1.19 -0.62 0.00 0.00 0.00 175.10 175.64 1rdu n GLU 64 N 6.19 2.45 -3.88 2.72 -0.58 0.11 -4.79 120.64 122.87 1rdu n GLU 64 Ca 0.15 -3.64 0.05 0.00 -0.42 0.00 0.00 57.16 53.30 1rdu n GLU 64 Cb 0.43 -1.81 0.01 0.00 -0.57 0.00 0.00 31.44 29.49 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 -3.22 0.00 -0.25 -0.32 2.02 -1.16 -3.66 117.35 110.76 1rdu s TYR 65 Ca 0.43 -0.01 -0.30 0.00 -0.37 0.00 0.00 57.07 56.82 1rdu s TYR 65 Cb 0.39 0.50 0.17 0.00 -0.40 0.00 0.00 41.96 42.62 1rdu s TYR 65 CO -0.02 -0.02 1.28 -1.17 -1.57 0.00 0.00 175.55 174.05 1rdu s LEU 66 N -3.65 -0.11 -0.28 -1.29 2.96 -0.02 -3.59 118.68 112.70 1rdu s LEU 66 Ca 0.27 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1rdu s LEU 66 Cb 0.03 1.26 0.08 0.00 0.50 0.00 0.00 46.19 48.05 1rdu s LEU 66 CO -0.04 -0.11 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.23 1rdu s ILE 67 N -1.16 1.87 -0.17 6.68 1.01 -0.49 -0.09 121.20 128.84 1rdu s ILE 67 Ca 0.07 -1.72 -0.13 0.00 0.00 0.00 0.00 60.65 58.87 1rdu s ILE 67 Cb -0.01 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.31 1rdu s ILE 67 CO -0.06 -0.31 0.44 0.00 0.00 0.00 0.00 174.94 175.01 1rdu s ALA 68 N 1.18 -1.10 0.43 9.38 0.00 -0.07 -4.05 121.76 127.53 1rdu s ALA 68 Ca 0.01 1.38 0.21 0.00 0.00 0.00 0.00 51.96 53.56 1rdu s ALA 68 Cb -0.19 -0.82 1.23 0.00 0.00 0.00 0.00 23.12 23.34 1rdu s ALA 68 CO -0.09 -0.23 2.03 0.66 0.00 0.00 0.00 175.76 178.13 1rdu h SER 69 N 6.11 0.00 -1.64 0.00 4.64 -1.78 -3.33 113.55 117.56 1rdu h SER 69 Ca -0.31 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.10 1rdu h SER 69 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1rdu h SER 69 CO 0.25 0.16 0.32 -3.20 -0.87 0.00 0.00 176.83 173.48 1rdu n ASN 70 N -3.95 -0.94 -4.53 4.97 5.15 -1.26 -4.75 115.26 109.95 1rdu n ASN 70 Ca -0.02 -1.49 -0.27 0.00 -0.60 0.00 0.00 54.58 52.19 1rdu n ASN 70 Cb 0.25 1.52 -0.10 0.00 -0.53 0.00 0.00 39.78 40.92 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 -2.30 3.02 -0.11 3.44 0.11 -1.26 -0.87 120.40 122.43 1rdu s VAL 71 Ca 0.12 -1.65 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 1rdu s VAL 71 Cb -0.02 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 1rdu s VAL 71 CO 0.03 -0.05 0.89 0.61 -3.33 0.00 0.00 175.10 173.24 1rdu n GLY 72 N 0.27 1.83 5.77 6.54 0.00 -1.26 -4.74 105.19 113.59 1rdu n GLY 72 Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 0.48 -0.33 -2.29 1.61 1.74 -1.26 -4.82 116.66 111.79 1rdu n ARG 73 Ca 0.00 0.21 -0.10 0.00 -0.77 0.00 0.00 57.85 57.20 1rdu n ARG 73 Cb 0.44 -0.40 0.01 0.00 -1.02 0.00 0.00 32.46 31.49 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 -3.63 -1.49 0.00 0.55 5.15 -1.26 -4.60 115.26 109.97 1rdu n ASN 74 Ca 0.00 -0.16 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1rdu n ASN 74 Cb 0.07 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1rdu n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rdu n ALA 75 N -0.57 0.00 -0.18 5.20 0.00 -1.26 -4.92 120.51 118.78 1rdu n ALA 75 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.47 1rdu n ALA 75 Cb 0.20 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.05 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 0.69 -0.24 0.00 3.04 -2.00 -0.87 116.94 117.56 1rdu h PHE 76 Ca 0.00 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.78 1rdu h PHE 76 Cb 0.00 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.29 1rdu h PHE 76 CO 0.00 0.33 -0.58 0.93 -2.02 0.00 0.00 178.31 176.97 1rdu h GLU 77 N 0.65 0.81 0.00 1.11 5.08 -1.97 -2.98 114.58 117.27 1rdu h GLU 77 Ca 0.34 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1rdu h GLU 77 Cb 0.45 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1rdu h GLU 77 CO -0.12 1.18 0.00 1.15 -1.00 0.00 0.00 179.01 180.22 1rdu h THR 78 N 0.57 0.00 -0.00 1.13 2.02 -1.59 0.25 112.91 115.28 1rdu h THR 78 Ca -0.00 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1rdu h THR 78 Cb 1.19 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1rdu h THR 78 CO 0.13 0.00 -0.24 -0.07 0.37 0.00 0.00 175.52 175.71 1rdu h LEU 79 N 0.00 0.21 -1.55 2.58 3.38 -1.17 -3.23 115.31 115.54 1rdu h LEU 79 Ca 0.00 -0.78 -0.05 0.00 0.09 0.00 0.00 57.88 57.15 1rdu h LEU 79 Cb 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1rdu h LEU 79 CO 0.00 0.96 -0.22 0.07 0.09 0.00 0.00 178.44 179.34 1rdu h LYS 80 N -0.51 0.00 -0.98 1.13 2.10 -1.29 -0.30 116.57 116.72 1rdu h LYS 80 Ca -0.03 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.77 1rdu h LYS 80 Cb 1.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.23 1rdu h LYS 80 CO 0.05 0.22 0.59 0.00 -2.00 0.00 0.00 179.45 178.31 1rdu h ALA 81 N 1.78 1.53 -0.83 0.07 0.00 -0.99 -1.12 119.26 119.72 1rdu h ALA 81 Ca -0.00 0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.43 1rdu h ALA 81 Cb 0.52 -0.13 -0.29 0.00 0.00 0.00 0.00 17.79 17.88 1rdu h ALA 81 CO 0.03 0.08 0.29 0.00 0.00 0.00 0.00 179.25 179.65 1rdu n ALA 82 N -2.35 5.57 -1.12 0.00 0.00 -0.98 -4.95 120.51 116.68 1rdu n ALA 82 Ca 0.20 -3.39 -0.09 0.00 0.00 0.00 0.00 53.44 50.16 1rdu n ALA 82 Cb 0.45 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.95 0.81 3.69 0.00 0.00 -0.42 -4.90 105.19 103.43 1rdu n GLY 83 Ca 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.60 4.71 0.05 1.61 1.01 -0.16 -4.91 120.40 121.12 1rdu s VAL 84 Ca 0.00 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 1rdu s VAL 84 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1rdu s VAL 84 CO 0.00 0.05 0.98 -0.54 0.00 0.00 0.00 175.10 175.59 1rdu s LYS 85 N 1.74 4.62 -0.03 2.72 1.02 -1.24 -4.47 119.74 124.10 1rdu s LYS 85 Ca 0.51 1.44 0.04 0.00 0.02 0.00 0.00 55.97 57.98 1rdu s LYS 85 Cb -0.20 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 1rdu s LYS 85 CO 0.21 0.07 -0.12 0.08 -0.92 0.00 0.00 175.35 174.67 1rdu s VAL 86 N 0.54 3.26 0.27 3.17 1.01 -1.26 -0.84 120.40 126.55 1rdu s VAL 86 Ca 0.50 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1rdu s VAL 86 Cb -0.22 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1rdu s VAL 86 CO 0.29 0.52 0.04 -0.31 0.00 0.00 0.00 175.10 175.64 1rdu s TYR 87 N -0.83 2.77 0.63 5.22 1.51 0.87 -0.13 117.35 127.39 1rdu s TYR 87 Ca 0.13 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.86 1rdu s TYR 87 Cb -0.11 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1rdu s TYR 87 CO 0.03 0.58 1.03 0.50 -1.11 0.00 0.00 175.55 176.58 1rdu s ARG 88 N -3.72 3.51 0.08 -0.62 6.06 0.58 -0.90 118.95 123.94 1rdu s ARG 88 Ca 0.32 0.80 -0.02 0.00 -2.50 0.00 0.00 55.73 54.33 1rdu s ARG 88 Cb -0.06 -2.07 -0.03 0.00 0.06 0.00 0.00 34.95 32.84 1rdu s ARG 88 CO 0.21 -0.64 0.03 -0.59 -2.50 0.00 0.00 175.30 171.81 1rdu s PHE 89 N -3.12 0.55 -0.33 5.12 -0.71 -1.25 -4.40 117.98 113.83 1rdu s PHE 89 Ca 0.56 -1.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.43 1rdu s PHE 89 Cb -0.11 -0.36 0.15 0.00 -1.21 0.00 0.00 43.02 41.49 1rdu s PHE 89 CO 0.53 -0.44 0.39 -2.00 -1.34 0.00 0.00 175.22 172.35 1rdu s GLU 90 N -3.94 0.51 0.00 1.99 2.12 -1.26 -4.00 118.70 114.11 1rdu s GLU 90 Ca 0.11 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1rdu s GLU 90 Cb 0.07 -0.52 0.00 0.00 0.26 0.00 0.00 34.13 33.95 1rdu s GLU 90 CO -0.07 -1.11 0.00 0.41 -0.54 0.00 0.00 175.26 173.95 1rdu n GLY 91 N 4.84 -1.55 0.00 -1.50 0.00 -1.26 -5.14 105.19 100.58 1rdu n GLY 91 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 1.01 2.87 3.92 -0.02 0.00 -1.26 -4.96 105.19 106.76 1rdu n GLY 92 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 2.65 0.32 2.61 -4.23 -1.26 -1.50 115.64 112.23 1rdu s THR 93 Ca 0.00 -0.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.42 1rdu s THR 93 Cb 0.00 -3.13 0.39 0.00 1.34 0.00 0.00 72.50 71.10 1rdu s THR 93 CO 0.00 -0.14 1.51 0.52 -0.54 0.00 0.00 174.62 175.97 1rdu n VAL 94 N -2.85 -0.40 -0.35 2.29 0.31 0.77 -0.57 118.33 117.52 1rdu n VAL 94 Ca 0.07 2.07 0.00 0.00 -0.01 0.00 0.00 64.34 66.47 1rdu n VAL 94 Cb 0.60 -3.12 0.16 0.00 -0.91 0.00 0.00 33.84 30.56 1rdu n VAL 94 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1rdu h GLN 95 N 0.00 1.21 -0.58 5.55 4.15 -1.58 -2.86 115.11 120.99 1rdu h GLN 95 Ca 0.65 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.94 1rdu h GLN 95 Cb 1.49 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 1rdu h GLN 95 CO -0.86 0.80 0.12 0.93 -1.93 0.00 0.00 178.83 177.89 1rdu h GLU 96 N 1.24 0.95 -1.01 1.69 4.39 -1.16 0.14 114.58 120.82 1rdu h GLU 96 Ca 0.38 -0.24 0.24 0.00 0.34 0.00 0.00 59.36 60.07 1rdu h GLU 96 Cb -0.03 -0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 28.40 1rdu h GLU 96 CO -0.11 0.89 0.63 0.00 -1.16 0.00 0.00 179.01 179.26 1rdu h ALA 97 N 1.02 1.97 0.00 3.43 0.00 -1.34 0.63 119.26 124.96 1rdu h ALA 97 Ca 0.18 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1rdu h ALA 97 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rdu h ALA 97 CO 0.01 -0.37 -0.11 0.82 0.00 0.00 0.00 179.25 179.60 1rdu h ILE 98 N 0.54 0.00 -0.82 0.00 1.08 -1.14 -2.73 117.51 114.44 1rdu h ILE 98 Ca 0.59 -0.89 0.20 0.00 -0.39 0.00 0.00 64.86 64.38 1rdu h ILE 98 Cb 1.25 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 1rdu h ILE 98 CO -0.36 0.00 0.56 0.44 -0.69 0.00 0.00 178.15 178.11 1rdu h ASP 99 N -0.89 0.25 0.02 1.72 5.19 -0.76 0.50 116.42 122.46 1rdu h ASP 99 Ca 0.00 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1rdu h ASP 99 Cb 0.11 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1rdu h ASP 99 CO 0.00 0.11 -0.01 0.00 -3.12 0.00 0.00 179.24 176.22 1rdu h ALA 100 N 1.62 -0.02 0.05 3.45 0.00 -0.99 -2.63 119.26 120.74 1rdu h ALA 100 Ca 0.41 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rdu h ALA 100 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rdu h ALA 100 CO -0.10 -0.17 -0.02 0.35 0.00 0.00 0.00 179.25 179.30 1rdu h PHE 101 N -0.71 -0.06 -0.32 0.00 3.57 -0.55 0.40 116.94 119.26 1rdu h PHE 101 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1rdu h PHE 101 Cb 0.66 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1rdu h PHE 101 CO 0.16 0.05 0.08 0.66 -2.23 0.00 0.00 178.31 177.03 1rdu h SER 102 N -0.16 0.49 -0.59 0.41 4.64 -0.25 -1.75 113.55 116.34 1rdu h SER 102 Ca -0.01 -0.23 -0.37 0.00 -0.47 0.00 0.00 61.79 60.72 1rdu h SER 102 Cb 0.14 -0.13 -0.18 0.00 -0.31 0.00 0.00 62.40 61.92 1rdu h SER 102 CO 0.01 0.59 0.47 -0.62 -0.87 0.00 0.00 176.83 176.42 1rdu n GLU 103 N -4.65 1.91 -4.14 4.77 -0.58 -0.99 -4.89 120.64 112.07 1rdu n GLU 103 Ca -0.02 -1.89 -0.31 0.00 -0.42 0.00 0.00 57.16 54.52 1rdu n GLU 103 Cb 0.19 -1.74 -0.04 0.00 -0.57 0.00 0.00 31.44 29.28 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 -0.13 -0.31 1.56 0.62 0.00 -0.66 -4.90 105.19 101.38 1rdu n GLY 104 Ca 0.37 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.41 2.84 -3.53 1.61 1.74 0.14 -5.02 116.66 110.02 1rdu n ARG 105 Ca -0.14 -3.83 -0.18 0.00 -0.77 0.00 0.00 57.85 52.93 1rdu n ARG 105 Cb 0.60 -2.01 -0.04 0.00 -1.02 0.00 0.00 32.46 29.99 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 -0.83 0.00 -4.29 0.55 4.77 -1.23 -4.77 117.00 111.21 1rdu n LEU 106 Ca 0.34 -1.90 -0.31 0.00 -0.03 0.00 0.00 56.01 54.12 1rdu n LEU 106 Cb 0.87 0.39 -0.16 0.00 -2.33 0.00 0.00 43.42 42.20 1rdu n LEU 106 CO 0.24 -0.28 -0.56 -1.61 -1.33 0.00 0.00 177.39 173.85 1rdu s GLU 107 N -3.03 2.20 -0.45 3.23 2.02 -1.26 -5.02 118.70 116.40 1rdu s GLU 107 Ca 0.06 -0.90 -0.29 0.00 0.02 0.00 0.00 54.97 53.86 1rdu s GLU 107 Cb 0.00 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.23 1rdu s GLU 107 CO 0.04 0.49 1.14 -2.00 0.02 0.00 0.00 175.26 174.95 1rdu s GLU 108 N -0.44 3.77 -1.20 1.61 2.12 -1.26 -0.31 118.70 122.99 1rdu s GLU 108 Ca 0.05 0.67 -0.04 0.00 0.36 0.00 0.00 54.97 56.01 1rdu s GLU 108 Cb -0.11 -3.89 0.21 0.00 0.26 0.00 0.00 34.13 30.60 1rdu s GLU 108 CO 0.01 -1.32 2.08 -0.11 -0.54 0.00 0.00 175.26 175.38 1rdu n LEU 109 N 7.74 7.58 -2.07 2.70 7.94 0.82 -4.84 117.00 136.88 1rdu n LEU 109 Ca 0.12 -5.07 -0.24 0.00 -1.11 0.00 0.00 56.01 49.72 1rdu n LEU 109 Cb 0.49 -1.30 0.10 0.00 0.53 0.00 0.00 43.42 43.24 1rdu n LEU 109 CO 0.70 1.97 1.25 0.35 -1.11 0.00 0.00 177.39 180.55 1rdu n THR 110 N 1.21 3.04 0.00 1.96 -2.24 -1.26 -4.65 114.28 112.34 1rdu n THR 110 Ca 0.52 -1.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 1rdu n THR 110 Cb 0.27 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 -0.62 0.00 -2.29 4.28 5.66 -1.26 -5.08 114.28 114.98 1rdu n THR 111 Ca 0.49 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 61.19 1rdu n THR 111 Cb 1.03 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.80 1rdu n THR 111 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1rdu s PHE 112 N 0.00 3.56 -0.39 1.09 0.40 -1.26 -5.03 117.98 116.34 1rdu s PHE 112 Ca 0.00 1.18 0.09 0.00 -0.60 0.00 0.00 56.93 57.60 1rdu s PHE 112 Cb 0.00 -2.60 0.27 0.00 0.51 0.00 0.00 43.02 41.20 1rdu s PHE 112 CO 0.00 -0.45 0.57 0.25 0.70 0.00 0.00 175.22 176.28 1rdu n THR 113 N -2.20 -0.59 -3.41 0.64 -2.24 -1.26 -5.00 114.28 100.22 1rdu n THR 113 Ca 0.04 -4.07 -0.17 0.00 -2.27 0.00 0.00 64.05 57.59 1rdu n THR 113 Cb 0.54 -1.59 -0.10 0.00 -2.10 0.00 0.00 70.33 67.08 1rdu n THR 113 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1rdu s ARG 114 N -1.37 0.31 -0.50 -0.78 6.06 -1.26 -5.05 118.95 116.36 1rdu s ARG 114 Ca 0.36 -0.04 -0.29 0.00 -2.50 0.00 0.00 55.73 53.26 1rdu s ARG 114 Cb 0.20 -0.72 0.03 0.00 0.06 0.00 0.00 34.95 34.53 1rdu s ARG 114 CO -0.11 -0.95 1.17 -1.21 -2.50 0.00 0.00 175.30 171.71 1rdu s GLU 115 N 2.37 3.66 0.00 5.12 8.01 -1.26 -5.25 118.70 131.36 1rdu s GLU 115 Ca 0.09 0.51 0.00 0.00 0.01 0.00 0.00 54.97 55.58 1rdu s GLU 115 Cb -0.14 -3.94 0.00 0.00 -4.31 0.00 0.00 34.13 25.73 1rdu s GLU 115 CO -0.29 -1.48 0.00 0.41 0.01 0.00 0.00 175.26 173.92