#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 -2.84 3.17 0.00 -1.26 -4.93 120.51 114.65 1rdu n ALA 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1rdu n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.94 3.75 0.21 0.00 0.52 -1.10 -0.59 118.95 119.80 1rdu s ARG 3 Ca 0.00 -0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 54.79 1rdu s ARG 3 Cb 0.00 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 1rdu s ARG 3 CO 0.00 0.35 0.43 0.54 0.02 0.00 0.00 175.30 176.63 1rdu s VAL 4 N 0.13 5.15 0.07 3.52 0.11 -0.71 -0.41 120.40 128.27 1rdu s VAL 4 Ca 0.03 -0.16 0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1rdu s VAL 4 Cb -0.13 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 1rdu s VAL 4 CO 0.01 -0.15 -0.15 0.00 -3.33 0.00 0.00 175.10 171.48 1rdu s ALA 5 N -1.86 2.73 -0.12 1.54 0.00 -1.00 -2.13 121.76 120.92 1rdu s ALA 5 Ca 0.40 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1rdu s ALA 5 Cb -0.11 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1rdu s ALA 5 CO 0.28 0.60 -0.09 0.42 0.00 0.00 0.00 175.76 176.96 1rdu s ILE 6 N -1.06 1.17 -0.79 0.00 1.09 0.03 -1.44 121.20 120.21 1rdu s ILE 6 Ca 0.17 -0.38 -0.25 0.00 -1.10 0.00 0.00 60.65 59.09 1rdu s ILE 6 Cb -0.11 -1.16 -0.01 0.00 -1.06 0.00 0.00 42.46 40.12 1rdu s ILE 6 CO 0.09 0.39 1.76 -2.16 -0.10 0.00 0.00 174.94 174.92 1rdu s PRO 7 N 1.65 2.81 0.67 2.79 0.04 -1.26 -1.63 135.00 140.07 1rdu s PRO 7 Ca 0.05 -0.06 -0.03 0.00 0.04 0.00 0.00 61.00 61.00 1rdu s PRO 7 Cb -0.13 -4.73 0.08 0.00 0.04 0.00 0.00 34.50 29.76 1rdu s PRO 7 CO -0.09 -2.81 0.94 0.45 0.04 0.00 0.00 177.00 175.53 1rdu s SER 8 N 7.07 4.74 -0.25 6.66 0.15 0.49 -0.09 113.70 132.47 1rdu s SER 8 Ca 0.61 0.06 0.14 0.00 0.70 0.00 0.00 55.95 57.46 1rdu s SER 8 Cb -0.08 -0.68 0.47 0.00 -1.71 0.00 0.00 66.02 64.02 1rdu s SER 8 CO 0.08 -1.58 1.17 1.33 1.20 0.00 0.00 173.24 175.44 1rdu n VAL 9 N -2.75 1.88 -3.76 4.45 0.24 -0.04 -1.68 118.33 116.68 1rdu n VAL 9 Ca 0.10 -3.43 -0.00 0.00 -2.04 0.00 0.00 64.34 58.97 1rdu n VAL 9 Cb 0.60 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1rdu n VAL 9 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rdu s GLY 10 N -3.49 -0.23 -0.49 7.63 0.00 -1.26 -4.78 107.32 104.70 1rdu s GLY 10 Ca 0.40 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.41 1rdu s GLY 10 CO -0.02 1.39 1.70 0.58 0.00 0.00 0.00 173.10 176.75 1rdu n LYS 11 N -0.59 2.85 -4.02 2.90 2.85 -1.26 -4.69 118.16 116.20 1rdu n LYS 11 Ca -0.05 -3.54 -0.10 0.00 -1.05 0.00 0.00 58.31 53.58 1rdu n LYS 11 Cb 0.61 -2.23 -0.11 0.00 -0.65 0.00 0.00 35.03 32.66 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 -2.43 0.45 0.00 -5.58 1.01 -1.26 -5.03 116.67 103.82 1rdu s ASP 12 Ca 0.58 -0.60 0.21 0.00 0.71 0.00 0.00 52.55 53.45 1rdu s ASP 12 Cb 0.46 0.10 1.07 0.00 1.01 0.00 0.00 42.92 45.56 1rdu s ASP 12 CO 0.02 -0.32 1.66 -0.11 0.21 0.00 0.00 175.17 176.62 1rdu n LEU 13 N 1.31 0.00 -1.89 1.23 -0.00 -1.26 -1.09 117.00 115.30 1rdu n LEU 13 Ca -0.22 0.26 -0.14 0.00 -0.00 0.00 0.00 56.01 55.92 1rdu n LEU 13 Cb 0.56 -0.26 0.06 0.00 -0.00 0.00 0.00 43.42 43.77 1rdu n LEU 13 CO 0.22 -0.08 0.17 -0.24 -0.00 0.00 0.00 177.39 177.46 1rdu n SER 14 N -1.26 3.64 -4.40 1.96 2.88 -1.26 -1.13 113.62 114.05 1rdu n SER 14 Ca 0.10 -3.41 -0.30 0.00 -1.33 0.00 0.00 58.87 53.94 1rdu n SER 14 Cb 0.16 -0.39 0.15 0.00 -0.75 0.00 0.00 64.21 63.38 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 -3.50 3.57 0.35 -3.46 0.01 -0.25 -4.79 113.70 105.62 1rdu s SER 15 Ca 0.44 0.46 -0.26 0.00 1.31 0.00 0.00 55.95 57.91 1rdu s SER 15 Cb 0.39 -0.67 -0.10 0.00 0.21 0.00 0.00 66.02 65.85 1rdu s SER 15 CO -0.00 -2.47 0.99 -0.04 0.41 0.00 0.00 173.24 172.13 1rdu s MET 16 N -5.77 4.44 0.67 12.44 -1.94 -1.26 -0.80 119.30 127.09 1rdu s MET 16 Ca 0.70 1.43 -0.11 0.00 -1.71 0.00 0.00 55.69 55.99 1rdu s MET 16 Cb -0.07 -2.73 -0.01 0.00 2.01 0.00 0.00 34.83 34.04 1rdu s MET 16 CO 0.52 0.12 1.06 0.08 -0.01 0.00 0.00 175.02 176.79 1rdu s VAL 17 N -1.61 4.12 -0.08 -6.03 1.01 -1.00 -0.86 120.40 115.95 1rdu s VAL 17 Ca 0.53 0.69 0.04 0.00 0.00 0.00 0.00 61.98 63.24 1rdu s VAL 17 Cb -0.21 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1rdu s VAL 17 CO 0.26 -0.90 -0.22 -0.55 0.00 0.00 0.00 175.10 173.69 1rdu s SER 18 N -4.11 3.31 -0.04 3.32 0.15 0.87 -4.77 113.70 112.43 1rdu s SER 18 Ca 0.57 -0.47 -0.00 0.00 0.70 0.00 0.00 55.95 56.75 1rdu s SER 18 Cb -0.12 -1.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.10 1rdu s SER 18 CO 0.54 0.22 1.91 0.47 1.20 0.00 0.00 173.24 177.58 1rdu n ASP 19 N 3.14 5.25 -2.67 5.45 8.00 -1.26 -4.24 116.55 130.22 1rdu n ASP 19 Ca -0.18 -2.45 -0.02 0.00 0.71 0.00 0.00 54.79 52.85 1rdu n ASP 19 Cb 0.52 -1.06 0.03 0.00 -0.02 0.00 0.00 41.12 40.59 1rdu n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rdu s ARG 20 N -0.23 0.08 0.13 -1.24 1.70 -1.24 -4.20 118.95 113.95 1rdu s ARG 20 Ca 0.04 -0.07 -0.28 0.00 -0.47 0.00 0.00 55.73 54.95 1rdu s ARG 20 Cb 0.03 -0.00 -0.05 0.00 -0.57 0.00 0.00 34.95 34.36 1rdu s ARG 20 CO 0.00 -0.10 1.59 0.35 -1.08 0.00 0.00 175.30 176.06 1rdu h PHE 21 N 4.34 -1.07 0.00 5.89 3.57 -1.46 -2.09 116.94 126.12 1rdu h PHE 21 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1rdu h PHE 21 Cb 1.19 0.48 0.00 0.00 2.79 0.00 0.00 35.95 40.42 1rdu h PHE 21 CO -0.12 -0.45 0.00 0.00 -2.23 0.00 0.00 178.31 175.51 1rdu n ALA 22 N -2.88 2.01 -2.74 2.41 0.00 -1.26 -2.00 120.51 116.04 1rdu n ALA 22 Ca -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 1rdu n ALA 22 Cb 0.35 -1.13 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 -0.78 1.64 -2.51 0.00 1.74 -0.80 -4.74 116.66 111.21 1rdu n ARG 23 Ca 0.06 -3.37 -0.25 0.00 -0.77 0.00 0.00 57.85 53.52 1rdu n ARG 23 Cb 0.03 -1.46 0.13 0.00 -1.02 0.00 0.00 32.46 30.14 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 -3.36 3.49 0.00 7.54 0.00 -0.85 -4.92 121.76 123.67 1rdu s ALA 24 Ca 0.29 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1rdu s ALA 24 Cb 0.33 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1rdu s ALA 24 CO -0.05 -1.74 0.00 0.39 0.00 0.00 0.00 175.76 174.36 1rdu n GLU 25 N -3.05 1.56 -3.83 0.00 1.02 -0.67 -4.38 120.64 111.29 1rdu n GLU 25 Ca 0.17 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1rdu n GLU 25 Cb 0.61 -0.88 -0.10 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 -1.73 -0.08 -0.37 -0.32 2.02 -0.89 -1.50 117.35 114.49 1rdu s TYR 26 Ca 0.00 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1rdu s TYR 26 Cb 0.00 0.02 0.11 0.00 -0.40 0.00 0.00 41.96 41.69 1rdu s TYR 26 CO 0.00 -0.28 0.15 -0.06 -1.57 0.00 0.00 175.55 173.79 1rdu s PHE 27 N -1.04 2.17 -0.39 2.71 0.08 0.47 -0.38 117.98 121.60 1rdu s PHE 27 Ca -0.11 -2.22 -0.29 0.00 0.12 0.00 0.00 56.93 54.43 1rdu s PHE 27 Cb -0.06 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1rdu s PHE 27 CO 0.02 -0.85 1.11 0.42 -0.10 0.00 0.00 175.22 175.82 1rdu s ILE 28 N 1.00 4.36 -0.43 0.64 1.09 -0.65 -1.20 121.20 126.01 1rdu s ILE 28 Ca 0.13 1.49 -0.15 0.00 -1.10 0.00 0.00 60.65 61.03 1rdu s ILE 28 Cb -0.20 -4.50 0.04 0.00 -1.06 0.00 0.00 42.46 36.74 1rdu s ILE 28 CO -0.13 -0.72 0.33 -0.63 -0.10 0.00 0.00 174.94 173.69 1rdu s ILE 29 N 4.04 5.19 -0.09 2.92 1.01 0.49 -0.79 121.20 133.98 1rdu s ILE 29 Ca 0.47 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 1rdu s ILE 29 Cb -0.10 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1rdu s ILE 29 CO 0.23 -0.42 0.39 -0.47 0.00 0.00 0.00 174.94 174.67 1rdu s TYR 30 N 1.65 3.58 -0.34 3.97 5.04 -0.90 -1.19 117.35 129.15 1rdu s TYR 30 Ca 0.04 0.84 -0.15 0.00 -2.44 0.00 0.00 57.07 55.37 1rdu s TYR 30 Cb -0.21 -2.39 -0.01 0.00 0.35 0.00 0.00 41.96 39.70 1rdu s TYR 30 CO 0.08 0.37 0.34 0.34 -1.34 0.00 0.00 175.55 175.34 1rdu s ASP 31 N -0.06 6.15 -0.14 4.32 -1.08 0.26 -1.73 116.67 124.39 1rdu s ASP 31 Ca 0.22 -0.29 0.01 0.00 -0.52 0.00 0.00 52.55 51.98 1rdu s ASP 31 Cb -0.15 -2.18 0.21 0.00 -1.46 0.00 0.00 42.92 39.34 1rdu s ASP 31 CO 0.09 -0.32 1.28 0.35 0.52 0.00 0.00 175.17 177.09 1rdu n THR 32 N 5.22 1.68 0.00 1.71 -2.24 0.24 -1.98 114.28 118.91 1rdu n THR 32 Ca -0.10 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1rdu n THR 32 Cb 0.49 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.01 0.00 -0.94 -0.78 1.02 -1.26 -3.87 120.64 114.80 1rdu n GLU 33 Ca 0.19 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.13 1rdu n GLU 33 Cb 0.86 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.37 1rdu n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rdu n SER 34 N -0.40 5.35 -1.11 1.62 2.88 -1.24 -4.80 113.62 115.92 1rdu n SER 34 Ca 0.00 -3.20 -0.08 0.00 -1.33 0.00 0.00 58.87 54.26 1rdu n SER 34 Cb 0.00 -0.89 -0.03 0.00 -0.75 0.00 0.00 64.21 62.53 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 -0.32 0.77 3.76 0.46 0.00 -0.84 -4.93 105.19 104.10 1rdu n GLY 35 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.67 4.37 0.05 1.61 -0.87 -1.23 -4.75 114.94 112.44 1rdu s ASN 36 Ca 0.00 1.77 0.02 0.00 -1.57 0.00 0.00 52.86 53.07 1rdu s ASN 36 Cb 0.00 -2.47 -0.03 0.00 -0.02 0.00 0.00 41.25 38.74 1rdu s ASN 36 CO 0.00 -2.11 -0.07 -0.69 -2.57 0.00 0.00 177.10 171.66 1rdu s VAL 37 N -2.91 0.49 -0.08 1.60 1.01 -1.26 -0.58 120.40 118.67 1rdu s VAL 37 Ca 0.61 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1rdu s VAL 37 Cb -0.17 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1rdu s VAL 37 CO 0.56 -0.50 -0.06 -0.70 0.00 0.00 0.00 175.10 174.40 1rdu s GLU 38 N -2.02 1.17 -0.55 2.72 2.56 -0.33 -4.98 118.70 117.27 1rdu s GLU 38 Ca -0.07 -0.16 -0.22 0.00 0.00 0.00 0.00 54.97 54.52 1rdu s GLU 38 Cb -0.07 -1.23 0.05 0.00 2.00 0.00 0.00 34.13 34.88 1rdu s GLU 38 CO -0.01 -0.18 0.85 0.08 -0.56 0.00 0.00 175.26 175.44 1rdu s VAL 39 N 1.41 4.52 0.28 3.70 1.01 -1.26 -0.38 120.40 129.68 1rdu s VAL 39 Ca -0.02 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1rdu s VAL 39 Cb -0.13 -4.49 -0.09 0.00 0.00 0.00 0.00 36.38 31.66 1rdu s VAL 39 CO -0.04 -1.07 0.97 -0.69 0.00 0.00 0.00 175.10 174.27 1rdu s VAL 40 N 3.57 4.01 -0.06 2.92 1.01 -0.34 -4.93 120.40 126.58 1rdu s VAL 40 Ca 0.25 1.90 -0.08 0.00 0.00 0.00 0.00 61.98 64.04 1rdu s VAL 40 Cb -0.15 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1rdu s VAL 40 CO 0.16 0.36 0.23 -0.70 0.00 0.00 0.00 175.10 175.14 1rdu s GLU 41 N -1.52 3.57 -0.03 2.72 2.12 -1.26 -0.39 118.70 123.91 1rdu s GLU 41 Ca 0.45 -0.02 -0.09 0.00 0.36 0.00 0.00 54.97 55.67 1rdu s GLU 41 Cb -0.25 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1rdu s GLU 41 CO 0.31 0.73 0.21 1.21 -0.54 0.00 0.00 175.26 177.17 1rdu s ASN 42 N -1.25 -0.11 -0.32 -1.70 3.84 -0.56 -4.91 114.94 109.94 1rdu s ASN 42 Ca 0.20 0.07 0.13 0.00 0.21 0.00 0.00 52.86 53.47 1rdu s ASN 42 Cb -0.13 0.31 0.46 0.00 -0.55 0.00 0.00 41.25 41.34 1rdu s ASN 42 CO 0.09 -0.30 1.10 0.35 -2.79 0.00 0.00 177.10 175.56 1rdu n THR 43 N 1.86 1.87 -2.45 -5.21 -2.24 -1.26 -4.25 114.28 102.60 1rdu n THR 43 Ca -0.19 -3.83 -0.39 0.00 -2.27 0.00 0.00 64.05 57.36 1rdu n THR 43 Cb 0.56 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 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 -4.33 3.75 -0.40 2.28 -0.00 -1.26 -4.74 121.20 116.50 1rdu s ILE 44 Ca 0.39 -0.27 0.05 0.00 -0.00 0.00 0.00 60.65 60.82 1rdu s ILE 44 Cb 0.39 -4.80 0.46 0.00 -0.00 0.00 0.00 42.46 38.52 1rdu s ILE 44 CO -0.04 -1.71 1.46 0.00 -0.00 0.00 0.00 174.94 174.65 1rdu n ALA 45 N 9.97 5.33 -3.65 2.27 0.00 -1.26 -4.90 120.51 128.27 1rdu n ALA 45 Ca 0.23 -3.64 -0.10 0.00 0.00 0.00 0.00 53.44 49.94 1rdu n ALA 45 Cb 0.50 -0.78 0.02 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.99 0.20 0.00 0.00 -4.77 -1.26 -5.11 116.67 102.74 1rdu s ASP 46 Ca 0.54 -1.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.53 1rdu s ASP 46 Cb 0.44 0.84 0.00 0.00 -1.09 0.00 0.00 42.92 43.11 1rdu s ASP 46 CO 0.02 -1.67 0.00 0.00 0.70 0.00 0.00 175.17 174.22 1rdu n ALA 47 N -0.55 0.00 -1.00 2.11 0.00 -1.26 -5.08 120.51 114.74 1rdu n ALA 47 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1rdu n ALA 47 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 1rdu n ALA 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1rdu n HIS 48 N 0.00 0.56 -0.94 0.00 -0.00 -1.26 -4.63 115.22 108.95 1rdu n HIS 48 Ca 0.00 -1.56 0.00 0.00 0.46 0.00 0.00 57.72 56.62 1rdu n HIS 48 Cb 0.00 -1.24 0.00 0.00 -0.12 0.00 0.00 29.99 28.63 1rdu n HIS 48 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1rdu n GLY 49 N 1.65 0.51 3.97 1.57 0.00 -1.26 -5.04 105.19 106.59 1rdu n GLY 49 Ca 0.34 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1rdu n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rdu s THR 50 N -2.00 2.05 1.33 2.61 -4.23 -1.26 -5.11 115.64 109.03 1rdu s THR 50 Ca 0.00 -0.33 -0.22 0.00 -1.18 0.00 0.00 61.69 59.96 1rdu s THR 50 Cb 0.00 -2.73 0.34 0.00 1.34 0.00 0.00 72.50 71.45 1rdu s THR 50 CO 0.00 0.00 0.97 0.61 -0.54 0.00 0.00 174.62 175.66 1rdu n GLY 51 N -3.28 -3.34 0.25 3.99 0.00 -1.26 -4.93 105.19 96.62 1rdu n GLY 51 Ca 0.16 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.79 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 0.31 0.00 1.61 0.13 -1.99 -3.46 132.00 128.60 1rdu h PRO 52 Ca -0.40 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1rdu h PRO 52 Cb 1.27 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1rdu h PRO 52 CO 0.25 0.44 0.00 0.36 -0.23 0.00 0.00 178.00 178.82 1rdu n LYS 53 N -4.26 0.00 0.16 0.86 2.85 -1.26 -3.84 118.16 112.67 1rdu n LYS 53 Ca -0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1rdu n LYS 53 Cb 0.28 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.58 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 0.23 0.43 0.58 3.04 -1.98 -1.61 116.25 116.95 1rdu h VAL 54 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1rdu h VAL 54 Cb 0.00 0.23 -0.02 0.00 -2.01 0.00 0.00 31.29 29.50 1rdu h VAL 54 CO 0.00 0.00 -0.35 0.58 -1.01 0.00 0.00 177.57 176.79 1rdu h VAL 55 N -0.66 0.28 -0.86 1.51 2.07 -1.96 0.74 116.25 117.37 1rdu h VAL 55 Ca 0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.66 1rdu h VAL 55 Cb 0.65 0.28 -0.14 0.00 -1.52 0.00 0.00 31.29 30.56 1rdu h VAL 55 CO -0.16 0.00 -0.39 1.56 0.02 0.00 0.00 177.57 178.60 1rdu h GLN 56 N -0.78 -0.06 0.27 1.57 1.08 -1.79 0.22 115.11 115.61 1rdu h GLN 56 Ca -0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1rdu h GLN 56 Cb 0.68 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1rdu h GLN 56 CO -0.01 -0.04 -0.13 0.77 -0.95 0.00 0.00 178.83 178.47 1rdu h SER 57 N -0.06 -0.31 -0.54 1.46 0.02 -0.82 -2.79 113.55 110.51 1rdu h SER 57 Ca 0.30 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1rdu h SER 57 Cb 0.57 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1rdu h SER 57 CO -0.88 -0.01 0.22 -0.07 -1.14 0.00 0.00 176.83 174.94 1rdu h LEU 58 N -0.62 0.73 -0.87 5.07 3.38 -0.41 -2.48 115.31 120.11 1rdu h LEU 58 Ca -0.04 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.88 1rdu h LEU 58 Cb 0.45 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 1rdu h LEU 58 CO 0.06 0.70 0.50 0.58 0.09 0.00 0.00 178.44 180.36 1rdu h VAL 59 N 0.73 0.86 0.00 1.22 2.07 -1.02 0.27 116.25 120.38 1rdu h VAL 59 Ca 0.18 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1rdu h VAL 59 Cb 0.19 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1rdu h VAL 59 CO -0.02 0.14 0.00 -1.20 0.02 0.00 0.00 177.57 176.52 1rdu n SER 60 N -4.75 0.00 -2.05 0.57 7.64 -0.93 -1.04 113.62 113.05 1rdu n SER 60 Ca 0.16 -0.47 -0.26 0.00 1.01 0.00 0.00 58.87 59.31 1rdu n SER 60 Cb 0.34 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.96 2.96 -2.85 1.43 4.01 0.08 -4.97 118.16 117.87 1rdu n LYS 61 Ca 0.09 -3.64 -0.16 0.00 -0.51 0.00 0.00 58.31 54.10 1rdu n LYS 61 Cb 0.04 -2.22 -0.00 0.00 -0.51 0.00 0.00 35.03 32.34 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 -0.87 -0.49 3.56 0.72 0.00 -0.20 -4.77 105.19 103.13 1rdu n GLY 62 Ca 0.51 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.69 3.56 -0.41 1.61 1.01 -1.24 -2.70 120.40 119.55 1rdu s VAL 63 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1rdu s VAL 63 Cb -0.09 -4.30 0.44 0.00 0.00 0.00 0.00 36.38 32.43 1rdu s VAL 63 CO 0.21 -1.24 1.83 -0.62 0.00 0.00 0.00 175.10 175.29 1rdu n GLU 64 N 8.94 2.08 0.00 2.72 -0.58 0.45 -4.65 120.64 129.60 1rdu n GLU 64 Ca 0.33 -2.37 0.00 0.00 -0.42 0.00 0.00 57.16 54.70 1rdu n GLU 64 Cb 0.49 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 1rdu n GLU 64 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1rdu n TYR 65 N -0.59 0.00 -3.60 -0.32 4.01 -1.21 -3.20 117.16 112.25 1rdu n TYR 65 Ca 0.46 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 58.10 1rdu n TYR 65 Cb 1.09 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.06 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 -0.38 -0.31 7.72 2.96 -0.82 -2.38 118.68 125.46 1rdu s LEU 66 Ca 0.00 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1rdu s LEU 66 Cb 0.00 1.85 0.08 0.00 0.50 0.00 0.00 46.19 48.62 1rdu s LEU 66 CO 0.00 -0.28 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.11 1rdu s ILE 67 N -0.71 2.48 -0.27 6.68 1.01 -0.52 -0.09 121.20 129.77 1rdu s ILE 67 Ca -0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 60.65 58.77 1rdu s ILE 67 Cb -0.02 -2.59 0.15 0.00 0.01 0.00 0.00 42.46 40.02 1rdu s ILE 67 CO -0.01 -0.28 0.52 0.00 0.00 0.00 0.00 174.94 175.17 1rdu s ALA 68 N 1.07 -1.76 0.60 9.38 0.00 0.71 -4.06 121.76 127.70 1rdu s ALA 68 Ca -0.00 1.61 0.29 0.00 0.00 0.00 0.00 51.96 53.86 1rdu s ALA 68 Cb -0.20 -1.87 1.62 0.00 0.00 0.00 0.00 23.12 22.67 1rdu s ALA 68 CO -0.05 -1.18 2.04 0.66 0.00 0.00 0.00 175.76 177.22 1rdu h SER 69 N 8.07 0.00 -5.03 0.00 4.64 -1.73 -3.36 113.55 116.13 1rdu h SER 69 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1rdu h SER 69 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1rdu h SER 69 CO 0.22 0.00 0.29 0.20 -0.87 0.00 0.00 176.83 176.68 1rdu s ASN 70 N -5.50 -0.02 0.35 4.97 0.02 -1.26 -4.76 114.94 108.74 1rdu s ASN 70 Ca -0.04 -1.06 0.09 0.00 -1.02 0.00 0.00 52.86 50.82 1rdu s ASN 70 Cb 0.15 0.82 -0.06 0.00 0.02 0.00 0.00 41.25 42.17 1rdu s ASN 70 CO 0.52 -1.61 -0.05 0.68 0.02 0.00 0.00 177.10 176.66 1rdu s VAL 71 N -2.44 2.29 -0.84 1.60 -7.23 -1.26 -1.50 120.40 111.01 1rdu s VAL 71 Ca 0.15 -2.12 0.25 0.00 -1.81 0.00 0.00 61.98 58.46 1rdu s VAL 71 Cb -0.05 -2.73 0.08 0.00 0.56 0.00 0.00 36.38 34.24 1rdu s VAL 71 CO 0.11 -0.17 1.49 0.61 -0.31 0.00 0.00 175.10 176.83 1rdu n GLY 72 N -0.86 -1.39 0.00 2.32 0.00 -1.26 -4.75 105.19 99.26 1rdu n GLY 72 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1rdu n GLY 72 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rdu n ARG 73 N -1.79 -0.73 -2.26 1.61 1.85 -1.26 -5.00 116.66 109.08 1rdu n ARG 73 Ca 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.83 1rdu n ARG 73 Cb 0.38 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.80 1rdu n ARG 73 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1rdu n ASN 74 N 0.00 -1.17 0.00 2.89 4.05 -1.26 -4.67 115.26 115.10 1rdu n ASN 74 Ca 0.00 -0.14 0.00 0.00 0.45 0.00 0.00 54.58 54.89 1rdu n ASN 74 Cb 0.00 -0.37 0.00 0.00 1.23 0.00 0.00 39.78 40.64 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 -0.57 0.00 -0.17 5.20 0.00 -1.26 -4.92 120.51 118.78 1rdu n ALA 75 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 1rdu n ALA 75 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.63 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 0.63 -0.23 0.00 3.57 -2.01 -1.35 116.94 117.55 1rdu h PHE 76 Ca 0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1rdu h PHE 76 Cb 0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 1rdu h PHE 76 CO 0.00 0.39 -0.24 0.93 -2.23 0.00 0.00 178.31 177.16 1rdu h GLU 77 N 0.67 0.44 0.00 1.11 5.08 -1.99 -1.83 114.58 118.05 1rdu h GLU 77 Ca 0.19 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1rdu h GLU 77 Cb -0.07 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1rdu h GLU 77 CO -0.05 0.65 0.00 1.15 -1.00 0.00 0.00 179.01 179.76 1rdu h THR 78 N 0.39 0.00 0.01 1.13 2.02 -1.71 0.48 112.91 115.22 1rdu h THR 78 Ca 0.06 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1rdu h THR 78 Cb 0.63 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1rdu h THR 78 CO 0.05 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.86 1rdu h LEU 79 N 0.00 -0.01 -1.77 2.58 3.38 -0.42 -3.32 115.31 115.75 1rdu h LEU 79 Ca 0.00 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.48 1rdu h LEU 79 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1rdu h LEU 79 CO 0.00 0.75 0.25 0.07 0.09 0.00 0.00 178.44 179.60 1rdu h LYS 80 N -0.99 0.28 -0.84 1.13 -0.00 -1.23 0.15 116.57 115.06 1rdu h LYS 80 Ca -0.00 -0.02 0.15 0.00 -0.00 0.00 0.00 60.65 60.79 1rdu h LYS 80 Cb 0.54 -0.06 -0.06 0.00 -0.00 0.00 0.00 32.23 32.65 1rdu h LYS 80 CO 0.00 0.19 0.55 0.00 -0.00 0.00 0.00 179.45 180.19 1rdu h ALA 81 N 1.80 1.99 -0.75 0.07 0.00 -1.01 -0.88 119.26 120.48 1rdu h ALA 81 Ca 0.16 0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.58 1rdu h ALA 81 Cb 0.26 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 17.67 1rdu h ALA 81 CO -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 179.25 178.97 1rdu n ALA 82 N -2.48 5.32 -2.55 0.00 0.00 -0.52 -4.94 120.51 115.34 1rdu n ALA 82 Ca 0.17 -3.49 -0.07 0.00 0.00 0.00 0.00 53.44 50.05 1rdu n ALA 82 Cb 0.53 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.50 3.55 0.00 0.00 -0.34 -4.80 105.19 102.20 1rdu n GLY 83 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.31 3.80 -0.41 1.61 1.01 -0.08 -4.48 120.40 119.55 1rdu s VAL 84 Ca 0.03 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1rdu s VAL 84 Cb -0.02 -4.95 0.02 0.00 0.00 0.00 0.00 36.38 31.44 1rdu s VAL 84 CO 0.04 -1.87 1.16 -0.75 0.00 0.00 0.00 175.10 173.68 1rdu s LYS 85 N 5.46 3.83 -0.10 2.72 2.20 -1.20 -4.27 119.74 128.38 1rdu s LYS 85 Ca 0.38 0.81 -0.18 0.00 -0.36 0.00 0.00 55.97 56.61 1rdu s LYS 85 Cb -0.06 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1rdu s LYS 85 CO 0.08 -1.24 0.46 0.08 -0.36 0.00 0.00 175.35 174.38 1rdu s VAL 86 N 4.30 5.17 0.28 4.02 1.01 -1.26 -1.95 120.40 131.98 1rdu s VAL 86 Ca 0.49 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1rdu s VAL 86 Cb -0.10 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1rdu s VAL 86 CO 0.26 0.36 0.41 -0.31 0.00 0.00 0.00 175.10 175.82 1rdu s TYR 87 N 0.42 3.33 0.64 5.22 1.51 0.87 -0.51 117.35 128.83 1rdu s TYR 87 Ca 0.25 -0.08 -0.11 0.00 -1.01 0.00 0.00 57.07 56.13 1rdu s TYR 87 Cb -0.15 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1rdu s TYR 87 CO 0.10 0.25 1.04 0.50 -1.11 0.00 0.00 175.55 176.34 1rdu s ARG 88 N -4.07 3.42 0.04 -0.62 6.06 0.84 -0.21 118.95 124.41 1rdu s ARG 88 Ca 0.38 0.75 0.01 0.00 -2.50 0.00 0.00 55.73 54.38 1rdu s ARG 88 Cb -0.09 -2.06 -0.03 0.00 0.06 0.00 0.00 34.95 32.83 1rdu s ARG 88 CO 0.30 -0.70 -0.06 0.12 -2.50 0.00 0.00 175.30 172.46 1rdu s PHE 89 N -3.18 0.59 -0.39 5.12 5.36 -1.26 -4.36 117.98 119.86 1rdu s PHE 89 Ca 0.56 -0.60 0.09 0.00 -0.96 0.00 0.00 56.93 56.02 1rdu s PHE 89 Cb -0.11 -0.37 0.29 0.00 -0.34 0.00 0.00 43.02 42.49 1rdu s PHE 89 CO 0.54 -0.14 0.63 0.39 -1.46 0.00 0.00 175.22 175.18 1rdu n GLU 90 N 1.21 0.82 -0.07 10.12 1.02 -1.26 -4.08 120.64 128.40 1rdu n GLU 90 Ca -0.21 -3.19 0.00 0.00 -0.02 0.00 0.00 57.16 53.74 1rdu n GLU 90 Cb 0.56 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1rdu n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rdu n GLY 91 N 0.97 -2.18 0.00 0.62 0.00 -1.26 -5.14 105.19 98.20 1rdu n GLY 91 Ca 0.22 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.41 3.81 3.97 -0.02 0.00 -1.26 -4.97 105.19 107.13 1rdu n GLY 92 Ca 0.00 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 2.27 0.32 2.61 -4.23 -1.26 -2.38 115.64 110.96 1rdu s THR 93 Ca 0.00 -0.49 0.09 0.00 -1.18 0.00 0.00 61.69 60.11 1rdu s THR 93 Cb 0.00 -2.78 0.31 0.00 1.34 0.00 0.00 72.50 71.37 1rdu s THR 93 CO 0.00 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 176.39 1rdu h VAL 94 N -0.52 0.54 -0.36 2.29 2.07 -1.02 -0.46 116.25 118.79 1rdu h VAL 94 Ca -0.40 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 1rdu h VAL 94 Cb 1.28 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1rdu h VAL 94 CO 0.47 0.11 -0.01 -0.61 0.02 0.00 0.00 177.57 177.54 1rdu h GLN 95 N 0.58 0.56 -0.39 1.57 4.15 -1.42 -3.07 115.11 117.09 1rdu h GLN 95 Ca 0.63 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.80 1rdu h GLN 95 Cb 1.19 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1rdu h GLN 95 CO -0.48 0.60 -0.23 0.93 -1.93 0.00 0.00 178.83 177.72 1rdu h GLU 96 N 0.54 0.84 -0.98 1.69 4.39 -1.40 0.36 114.58 120.02 1rdu h GLU 96 Ca 0.11 -0.39 0.27 0.00 0.34 0.00 0.00 59.36 59.70 1rdu h GLU 96 Cb 0.36 -0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 28.86 1rdu h GLU 96 CO 0.01 1.02 0.53 0.00 -1.16 0.00 0.00 179.01 179.41 1rdu h ALA 97 N 0.80 1.77 0.02 3.43 0.00 -1.39 0.30 119.26 124.18 1rdu h ALA 97 Ca 0.08 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1rdu h ALA 97 Cb 0.80 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1rdu h ALA 97 CO 0.07 -0.42 -0.71 0.82 0.00 0.00 0.00 179.25 179.00 1rdu h ILE 98 N 0.42 1.33 0.00 0.00 1.08 -1.34 -0.96 117.51 118.04 1rdu h ILE 98 Ca 0.66 -2.28 0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1rdu h ILE 98 Cb 1.38 2.81 0.00 0.00 -3.07 0.00 0.00 36.82 37.94 1rdu h ILE 98 CO -0.55 0.49 0.00 0.44 -0.69 0.00 0.00 178.15 177.84 1rdu h ASP 99 N -0.91 0.00 0.00 1.72 3.32 -0.82 0.34 116.42 120.06 1rdu h ASP 99 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1rdu h ASP 99 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1rdu h ASP 99 CO -0.08 0.00 -0.18 0.00 -1.72 0.00 0.00 179.24 177.26 1rdu h ALA 100 N 2.03 0.00 -0.20 3.45 0.00 -0.44 -3.35 119.26 120.74 1rdu h ALA 100 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1rdu h ALA 100 Cb 0.14 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1rdu h ALA 100 CO 0.00 0.18 -0.13 0.35 0.00 0.00 0.00 179.25 179.65 1rdu h PHE 101 N -0.62 -0.32 -0.50 0.00 3.57 -0.73 0.26 116.94 118.60 1rdu h PHE 101 Ca 0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1rdu h PHE 101 Cb 0.18 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1rdu h PHE 101 CO -0.08 -0.20 -0.04 0.66 -2.23 0.00 0.00 178.31 176.42 1rdu h SER 102 N -0.12 0.90 -0.52 0.41 4.64 -0.57 -1.26 113.55 117.02 1rdu h SER 102 Ca 0.12 -0.33 -0.33 0.00 -0.47 0.00 0.00 61.79 60.78 1rdu h SER 102 Cb 0.30 -0.24 -0.16 0.00 -0.31 0.00 0.00 62.40 61.99 1rdu h SER 102 CO -0.28 1.01 0.42 -0.62 -0.87 0.00 0.00 176.83 176.50 1rdu n GLU 103 N -4.28 1.81 -0.74 4.77 1.02 -1.09 -4.87 120.64 117.27 1rdu n GLU 103 Ca 0.01 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.47 1rdu n GLU 103 Cb 0.35 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 0.04 0.00 1.67 0.62 0.00 -0.48 -4.85 105.19 102.19 1rdu n GLY 104 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 0.61 1.53 -4.40 1.61 1.74 0.87 -4.84 116.66 113.79 1rdu n ARG 105 Ca 0.00 -1.10 -0.20 0.00 -0.77 0.00 0.00 57.85 55.78 1rdu n ARG 105 Cb 0.35 -1.43 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.26 1.87 0.08 0.55 1.43 -1.26 -4.74 118.68 115.36 1rdu s LEU 106 Ca 0.22 -1.46 0.04 0.00 -1.03 0.00 0.00 54.13 51.89 1rdu s LEU 106 Cb 0.17 -0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.26 1rdu s LEU 106 CO 0.01 -0.76 0.03 -1.61 0.23 0.00 0.00 176.35 174.26 1rdu s GLU 107 N -3.90 2.70 -0.08 1.70 2.02 -1.26 -4.98 118.70 114.89 1rdu s GLU 107 Ca 0.35 -0.77 -0.27 0.00 0.02 0.00 0.00 54.97 54.30 1rdu s GLU 107 Cb 0.07 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.65 1rdu s GLU 107 CO 0.15 0.56 0.87 -2.00 0.02 0.00 0.00 175.26 174.86 1rdu s GLU 108 N -2.30 4.43 -0.77 1.61 2.12 -1.26 -0.11 118.70 122.41 1rdu s GLU 108 Ca 0.27 1.16 0.03 0.00 0.36 0.00 0.00 54.97 56.78 1rdu s GLU 108 Cb -0.12 -3.50 0.31 0.00 0.26 0.00 0.00 34.13 31.07 1rdu s GLU 108 CO 0.19 -0.15 1.15 -0.11 -0.54 0.00 0.00 175.26 175.81 1rdu n LEU 109 N 4.45 5.18 -2.08 2.70 7.94 0.33 -4.77 117.00 130.74 1rdu n LEU 109 Ca 0.04 -5.49 -0.27 0.00 -1.11 0.00 0.00 56.01 49.19 1rdu n LEU 109 Cb 0.50 -0.83 0.08 0.00 0.53 0.00 0.00 43.42 43.71 1rdu n LEU 109 CO 0.50 2.11 0.95 0.35 -1.11 0.00 0.00 177.39 180.18 1rdu n THR 110 N 0.35 3.13 0.00 1.96 -2.24 -1.26 -4.45 114.28 111.76 1rdu n THR 110 Ca 0.33 -3.24 0.00 0.00 -2.27 0.00 0.00 64.05 58.88 1rdu n THR 110 Cb 0.36 -1.00 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 -0.90 0.00 -1.88 4.28 5.66 -1.26 -5.13 114.28 115.05 1rdu n THR 111 Ca 0.53 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 61.23 1rdu n THR 111 Cb 0.88 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.71 1rdu n THR 111 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1rdu s PHE 112 N 0.00 3.30 0.34 1.09 -0.71 -1.26 -5.10 117.98 115.64 1rdu s PHE 112 Ca 0.00 1.03 0.08 0.00 -1.04 0.00 0.00 56.93 57.00 1rdu s PHE 112 Cb 0.00 -3.09 -0.04 0.00 -1.21 0.00 0.00 43.02 38.68 1rdu s PHE 112 CO 0.00 -1.21 0.15 0.95 -1.34 0.00 0.00 175.22 173.77 1rdu s THR 113 N -3.37 3.04 -0.14 -4.49 -4.23 -1.26 -5.15 115.64 100.04 1rdu s THR 113 Ca 0.58 -1.68 -0.17 0.00 -1.18 0.00 0.00 61.69 59.24 1rdu s THR 113 Cb -0.11 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.79 1rdu s THR 113 CO 0.52 -0.18 0.46 -0.60 -0.54 0.00 0.00 174.62 174.28 1rdu s ARG 114 N -3.85 0.60 -0.41 3.99 6.06 -1.26 -5.08 118.95 119.00 1rdu s ARG 114 Ca 0.38 0.50 0.06 0.00 -2.50 0.00 0.00 55.73 54.17 1rdu s ARG 114 Cb -0.03 0.29 0.17 0.00 0.06 0.00 0.00 34.95 35.45 1rdu s ARG 114 CO 0.23 -0.10 0.55 -2.00 -2.50 0.00 0.00 175.30 171.48 1rdu s GLU 115 N -0.09 0.80 0.00 5.12 2.56 -1.26 -5.33 118.70 120.49 1rdu s GLU 115 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 54.97 54.32 1rdu s GLU 115 Cb -0.03 -0.24 0.00 0.00 2.00 0.00 0.00 34.13 35.86 1rdu s GLU 115 CO 0.02 -1.22 0.00 0.41 -0.56 0.00 0.00 175.26 173.91