#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whd n SER 2 N 0.00 5.86 -3.77 1.61 3.41 -1.26 -4.77 113.62 114.70 1whd n SER 2 Ca 0.00 -2.83 -0.26 0.00 -0.26 0.00 0.00 58.87 55.52 1whd n SER 2 Cb 0.00 -1.31 -0.07 0.00 -0.26 0.00 0.00 64.21 62.58 1whd n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1whd n SER 3 N 1.63 -0.15 -4.62 4.04 3.41 -1.26 -4.71 113.62 111.96 1whd n SER 3 Ca 0.43 -0.92 -0.49 0.00 -0.26 0.00 0.00 58.87 57.64 1whd n SER 3 Cb 0.72 -1.15 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 1whd n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whd n GLY 4 N -1.63 0.75 3.30 5.00 0.00 -1.26 -4.91 105.19 106.44 1whd n GLY 4 Ca -0.10 0.68 -0.45 0.00 0.00 0.00 0.00 46.02 46.14 1whd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whd s SER 5 N 0.65 6.75 0.16 1.61 0.01 -1.26 -4.99 113.70 116.63 1whd s SER 5 Ca 0.82 -2.98 -0.24 0.00 1.31 0.00 0.00 55.95 54.85 1whd s SER 5 Cb -0.83 -2.17 0.06 0.00 0.21 0.00 0.00 66.02 63.29 1whd s SER 5 CO 0.43 -0.47 0.81 -0.94 0.41 0.00 0.00 173.24 173.48 1whd s SER 6 N 1.72 -0.31 0.00 2.44 1.04 -1.26 -5.16 113.70 112.17 1whd s SER 6 Ca 0.21 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1whd s SER 6 Cb -0.11 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1whd s SER 6 CO -0.08 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1whd n GLY 7 N -0.41 1.33 0.20 7.32 0.00 -1.26 -5.00 105.19 107.37 1whd n GLY 7 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1whd n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whd n GLU 8 N 0.00 0.45 0.00 1.61 1.02 -1.26 -5.04 120.64 117.42 1whd n GLU 8 Ca 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1whd n GLU 8 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1whd n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1whd n GLY 9 N 2.29 1.39 3.69 0.62 0.00 -1.26 -4.76 105.19 107.15 1whd n GLY 9 Ca -0.35 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1whd n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1whd s ASP 10 N -4.00 7.02 1.24 1.61 -1.08 -1.26 -5.03 116.67 115.17 1whd s ASP 10 Ca 0.00 1.90 -0.20 0.00 -0.52 0.00 0.00 52.55 53.72 1whd s ASP 10 Cb 0.00 -2.56 0.30 0.00 -1.46 0.00 0.00 42.92 39.20 1whd s ASP 10 CO 0.00 -0.59 1.11 -2.16 0.52 0.00 0.00 175.17 174.06 1whd s PRO 11 N 2.05 -1.52 -0.40 4.34 0.04 -1.26 -5.00 135.00 133.24 1whd s PRO 11 Ca 0.58 -0.17 -0.16 0.00 0.04 0.00 0.00 61.00 61.29 1whd s PRO 11 Cb -0.27 -1.57 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1whd s PRO 11 CO 0.24 -3.89 0.35 -1.21 0.04 0.00 0.00 177.00 172.53 1whd s GLU 12 N -5.49 3.14 0.12 4.56 8.01 -1.26 -4.96 118.70 122.82 1whd s GLU 12 Ca 0.72 -0.81 -0.18 0.00 0.01 0.00 0.00 54.97 54.70 1whd s GLU 12 Cb -0.08 -3.94 -0.05 0.00 -4.31 0.00 0.00 34.13 25.76 1whd s GLU 12 CO 0.56 -0.73 1.69 -0.91 0.01 0.00 0.00 175.26 175.88 1whd h ASN 13 N 8.63 0.37 -3.02 -0.19 2.35 -1.95 -3.43 115.58 118.34 1whd h ASN 13 Ca -0.28 -0.13 -0.59 0.00 -0.55 0.00 0.00 56.30 54.76 1whd h ASN 13 Cb 1.12 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 1whd h ASN 13 CO 0.74 0.39 -0.39 -0.83 -1.65 0.00 0.00 177.43 175.70 1whd s GLY 14 N -2.72 2.15 0.02 2.83 0.00 -1.26 -2.72 107.32 105.61 1whd s GLY 14 Ca -0.13 -0.71 -0.00 0.00 0.00 0.00 0.00 44.72 43.87 1whd s GLY 14 CO 0.72 -0.66 -0.01 1.85 0.00 0.00 0.00 173.10 175.00 1whd s GLU 15 N -2.71 0.28 -0.33 2.90 2.56 -0.45 -4.98 118.70 115.98 1whd s GLU 15 Ca 0.38 -0.51 -0.27 0.00 0.00 0.00 0.00 54.97 54.57 1whd s GLU 15 Cb -0.12 0.10 0.01 0.00 2.00 0.00 0.00 34.13 36.12 1whd s GLU 15 CO 0.26 -0.05 0.98 0.15 -0.56 0.00 0.00 175.26 176.05 1whd s LYS 16 N -1.25 3.99 -0.03 4.30 1.02 -1.26 -3.16 119.74 123.35 1whd s LYS 16 Ca -0.14 0.85 0.06 0.00 0.02 0.00 0.00 55.97 56.76 1whd s LYS 16 Cb -0.08 -3.75 -0.01 0.00 -0.52 0.00 0.00 37.83 33.46 1whd s LYS 16 CO -0.01 -0.87 -0.22 -0.51 -0.92 0.00 0.00 175.35 172.82 1whd s LEU 17 N 3.47 2.03 -0.17 3.17 1.43 -1.16 -5.04 118.68 122.41 1whd s LEU 17 Ca 0.41 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1whd s LEU 17 Cb -0.12 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1whd s LEU 17 CO 0.16 0.25 0.01 -1.58 0.23 0.00 0.00 176.35 175.42 1whd s GLN 18 N -0.40 3.82 -0.17 1.70 -0.44 -1.26 -2.75 119.66 120.16 1whd s GLN 18 Ca 0.05 -0.44 -0.01 0.00 -2.50 0.00 0.00 55.36 52.46 1whd s GLN 18 Cb -0.10 -3.05 -0.00 0.00 -1.64 0.00 0.00 33.01 28.21 1whd s GLN 18 CO 0.00 0.26 -0.12 0.42 0.50 0.00 0.00 175.29 176.35 1whd s ILE 19 N 0.35 2.91 -0.32 -2.34 -1.09 -0.97 -5.02 121.20 114.73 1whd s ILE 19 Ca -0.01 -0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 57.62 1whd s ILE 19 Cb -0.13 -2.26 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 1whd s ILE 19 CO 0.02 0.49 0.20 -0.89 -1.23 0.00 0.00 174.94 173.53 1whd s THR 20 N 0.96 5.05 -0.17 2.92 2.01 -1.26 -2.93 115.64 122.21 1whd s THR 20 Ca -0.02 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 1whd s THR 20 Cb -0.15 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1whd s THR 20 CO -0.01 0.07 0.03 -0.63 -0.69 0.00 0.00 174.62 173.38 1whd s ILE 21 N 1.69 4.47 -0.19 1.82 1.01 -1.06 -4.87 121.20 124.07 1whd s ILE 21 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1whd s ILE 21 Cb -0.17 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1whd s ILE 21 CO 0.09 0.48 -0.06 -0.13 0.00 0.00 0.00 174.94 175.32 1whd s ARG 22 N 0.29 3.43 -0.41 2.79 0.52 -1.26 -2.53 118.95 121.79 1whd s ARG 22 Ca 0.01 -0.62 -0.40 0.00 -0.52 0.00 0.00 55.73 54.20 1whd s ARG 22 Cb -0.13 -2.91 -0.15 0.00 0.52 0.00 0.00 34.95 32.28 1whd s ARG 22 CO 0.01 -0.04 2.11 -2.13 0.02 0.00 0.00 175.30 175.28 1whd n ARG 23 N 4.32 0.61 -0.09 3.54 0.63 -1.01 -4.83 116.66 119.83 1whd n ARG 23 Ca -0.18 0.18 -0.12 0.00 -0.92 0.00 0.00 57.85 56.80 1whd n ARG 23 Cb 0.51 -2.01 -0.05 0.00 0.45 0.00 0.00 32.46 31.36 1whd n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1whd n GLY 24 N 6.64 -0.82 3.65 5.14 0.00 -1.23 -5.03 105.19 113.54 1whd n GLY 24 Ca 0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 1whd n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whd s LYS 25 N -2.40 0.26 -1.34 1.61 2.20 -1.26 -4.98 119.74 113.82 1whd s LYS 25 Ca -0.23 0.38 -0.06 0.00 -0.36 0.00 0.00 55.97 55.70 1whd s LYS 25 Cb 0.05 0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 1whd s LYS 25 CO 0.37 -0.04 1.03 -3.47 -0.36 0.00 0.00 175.35 172.88 1whd n ASP 26 N 2.75 -4.20 0.00 1.43 2.03 -1.26 -4.75 116.55 112.56 1whd n ASP 26 Ca -0.15 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.51 1whd n ASP 26 Cb 0.57 -4.70 0.00 0.00 -0.72 0.00 0.00 41.12 36.27 1whd n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whd n GLY 27 N -1.66 -1.53 0.10 0.27 0.00 -1.26 -4.81 105.19 96.31 1whd n GLY 27 Ca -0.11 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.62 1whd n GLY 27 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1whd h PHE 28 N 0.00 -0.12 0.00 1.61 0.04 -1.92 -3.26 116.94 113.29 1whd h PHE 28 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1whd h PHE 28 Cb 0.00 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1whd h PHE 28 CO 0.00 0.39 0.00 0.41 -0.60 0.00 0.00 178.31 178.51 1whd n GLY 29 N 0.96 3.60 3.89 -1.45 0.00 -1.26 -4.32 105.19 106.61 1whd n GLY 29 Ca -0.07 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1whd n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1whd s PHE 30 N 0.00 3.47 0.01 1.61 -0.71 -1.26 -4.02 117.98 117.07 1whd s PHE 30 Ca 0.00 0.60 0.04 0.00 -1.04 0.00 0.00 56.93 56.53 1whd s PHE 30 Cb 0.00 -2.04 -0.03 0.00 -1.21 0.00 0.00 43.02 39.74 1whd s PHE 30 CO 0.00 0.41 -0.10 0.99 -1.34 0.00 0.00 175.22 175.18 1whd s THR 31 N -1.68 3.37 -0.16 -4.49 2.01 -0.83 -5.02 115.64 108.84 1whd s THR 31 Ca 0.42 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 1whd s THR 31 Cb -0.12 -2.44 0.07 0.00 0.01 0.00 0.00 72.50 70.01 1whd s THR 31 CO 0.24 0.40 0.35 0.27 -0.69 0.00 0.00 174.62 175.19 1whd s ILE 32 N -0.95 -0.33 -0.17 1.82 -5.25 -1.26 -1.90 121.20 113.14 1whd s ILE 32 Ca 0.16 0.18 -0.07 0.00 -0.99 0.00 0.00 60.65 59.93 1whd s ILE 32 Cb -0.11 -0.55 0.07 0.00 2.95 0.00 0.00 42.46 44.82 1whd s ILE 32 CO 0.06 0.07 0.38 0.00 -1.79 0.00 0.00 174.94 173.66 1whd s ASP 35 N -3.79 4.97 -0.26 0.00 1.47 -1.26 -1.91 116.67 115.88 1whd s ASP 35 Ca 0.29 -0.04 -0.33 0.00 1.18 0.00 0.00 52.55 53.66 1whd s ASP 35 Cb -0.01 -1.68 -0.14 0.00 -0.34 0.00 0.00 42.92 40.74 1whd s ASP 35 CO 0.00 0.23 1.05 -1.54 0.68 0.00 0.00 175.17 175.60 1whd n SER 36 N 3.12 0.64 -4.77 2.11 3.41 -1.23 -3.99 113.62 112.90 1whd n SER 36 Ca -0.18 0.85 -0.36 0.00 -0.26 0.00 0.00 58.87 58.93 1whd n SER 36 Cb 0.53 -0.64 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1whd n SER 36 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1whd s PRO 37 N 1.59 3.55 0.22 4.33 0.04 -1.25 -4.97 135.00 138.52 1whd s PRO 37 Ca 0.73 1.69 -0.28 0.00 0.04 0.00 0.00 61.00 63.18 1whd s PRO 37 Cb -1.04 -2.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.21 1whd s PRO 37 CO 0.54 -0.70 0.89 0.08 0.04 0.00 0.00 177.00 177.85 1whd s VAL 38 N -1.66 4.17 0.33 -0.36 1.01 -1.26 -4.93 120.40 117.70 1whd s VAL 38 Ca 0.68 1.95 0.04 0.00 0.00 0.00 0.00 61.98 64.65 1whd s VAL 38 Cb -0.26 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 1whd s VAL 38 CO 0.31 0.48 0.05 -0.13 0.00 0.00 0.00 175.10 175.80 1whd s ARG 39 N -1.25 1.66 0.15 2.72 0.52 -1.26 -1.01 118.95 120.49 1whd s ARG 39 Ca 0.40 -1.92 -0.19 0.00 -0.52 0.00 0.00 55.73 53.51 1whd s ARG 39 Cb -0.25 -0.92 -0.07 0.00 0.52 0.00 0.00 34.95 34.23 1whd s ARG 39 CO 0.30 -0.17 0.63 0.08 0.02 0.00 0.00 175.30 176.16 1whd s VAL 40 N -3.25 4.68 -0.15 3.52 1.01 -0.10 -3.63 120.40 122.48 1whd s VAL 40 Ca 0.36 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.41 1whd s VAL 40 Cb 0.09 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1whd s VAL 40 CO 0.15 0.35 -0.20 1.67 0.00 0.00 0.00 175.10 177.07 1whd n GLN 41 N 1.11 0.46 -3.56 2.72 -0.06 -0.80 -3.51 117.38 113.75 1whd n GLN 41 Ca -0.06 0.49 -0.14 0.00 -2.00 0.00 0.00 57.00 55.29 1whd n GLN 41 Cb 0.51 -1.66 -0.06 0.00 -4.06 0.00 0.00 30.24 24.97 1whd n GLN 41 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1whd s ALA 42 N -2.76 -1.85 -0.10 1.69 0.00 -1.10 -4.63 121.76 113.02 1whd s ALA 42 Ca -0.17 1.51 -0.03 0.00 0.00 0.00 0.00 51.96 53.27 1whd s ALA 42 Cb 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1whd s ALA 42 CO 0.25 -0.34 0.02 0.08 0.00 0.00 0.00 175.76 175.77 1whd s VAL 43 N -0.95 4.48 -0.20 0.00 1.01 -1.26 -1.97 120.40 121.50 1whd s VAL 43 Ca -0.06 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 1whd s VAL 43 Cb -0.01 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1whd s VAL 43 CO 0.05 0.59 1.03 -0.62 0.00 0.00 0.00 175.10 176.15 1whd s ASP 44 N -0.74 7.13 -0.31 3.32 2.15 -1.26 -4.99 116.67 121.98 1whd s ASP 44 Ca 0.12 1.41 -0.29 0.00 0.43 0.00 0.00 52.55 54.22 1whd s ASP 44 Cb -0.12 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1whd s ASP 44 CO 0.02 -0.62 1.42 -0.94 -0.17 0.00 0.00 175.17 174.89 1whd s SER 45 N 1.18 6.49 0.00 -0.34 1.04 -1.26 -3.31 113.70 117.49 1whd s SER 45 Ca 0.45 1.21 0.00 0.00 0.48 0.00 0.00 55.95 58.09 1whd s SER 45 Cb -0.16 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1whd s SER 45 CO 0.09 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.68 1whd n GLY 46 N 4.63 0.96 0.00 7.32 0.00 -1.26 -5.11 105.19 111.73 1whd n GLY 46 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1whd n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whd n GLY 47 N -0.12 4.51 0.19 -0.02 0.00 -1.21 -5.04 105.19 103.50 1whd n GLY 47 Ca 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 1whd n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whd h PRO 48 N 0.00 0.28 0.04 1.61 0.13 -1.89 -2.64 132.00 129.53 1whd h PRO 48 Ca 0.00 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1whd h PRO 48 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1whd h PRO 48 CO 0.00 0.69 -0.02 0.00 -0.23 0.00 0.00 178.00 178.44 1whd h ALA 49 N 1.29 -0.06 0.42 -0.56 0.00 -1.88 -2.52 119.26 115.96 1whd h ALA 49 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1whd h ALA 49 Cb 0.90 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1whd h ALA 49 CO 0.07 -0.27 -0.36 1.49 0.00 0.00 0.00 179.25 180.18 1whd h GLU 50 N -0.57 -0.76 -0.73 0.00 4.81 -1.73 -1.21 114.58 114.39 1whd h GLU 50 Ca -0.01 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.42 1whd h GLU 50 Cb 0.52 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 29.97 1whd h GLU 50 CO 0.01 -0.50 0.23 0.00 -0.73 0.00 0.00 179.01 178.02 1whd h ARG 51 N -0.79 0.34 -0.98 1.92 3.08 -1.57 0.49 114.38 116.87 1whd h ARG 51 Ca -0.04 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1whd h ARG 51 Cb 0.68 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 1whd h ARG 51 CO -0.02 0.22 0.65 0.00 -1.07 0.00 0.00 179.97 179.75 1whd h ALA 52 N 1.57 1.33 0.00 0.04 0.00 -1.07 -3.46 119.26 117.66 1whd h ALA 52 Ca 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1whd h ALA 52 Cb 0.65 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1whd h ALA 52 CO -0.45 0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1whd n GLY 53 N -1.38 1.00 3.80 0.00 0.00 0.16 -4.90 105.19 103.87 1whd n GLY 53 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1whd n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1whd s LEU 54 N 0.00 4.38 0.17 0.99 0.20 -0.58 -4.94 118.68 118.90 1whd s LEU 54 Ca 0.00 0.76 0.10 0.00 0.69 0.00 0.00 54.13 55.68 1whd s LEU 54 Cb 0.00 -2.46 -0.04 0.00 -0.43 0.00 0.00 46.19 43.25 1whd s LEU 54 CO 0.00 0.25 -0.20 -1.58 -0.29 0.00 0.00 176.35 174.53 1whd s GLN 55 N -0.51 1.69 0.56 1.98 0.74 -1.26 -4.62 119.66 118.24 1whd s GLN 55 Ca 0.21 -1.37 -0.09 0.00 0.05 0.00 0.00 55.36 54.16 1whd s GLN 55 Cb -0.15 -1.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.94 1whd s GLN 55 CO 0.09 0.43 0.93 1.14 -0.55 0.00 0.00 175.29 177.34 1whd s GLN 56 N -2.51 3.58 -1.02 1.67 -2.07 -1.26 -4.23 119.66 113.82 1whd s GLN 56 Ca 0.20 0.54 -0.03 0.00 -1.82 0.00 0.00 55.36 54.25 1whd s GLN 56 Cb -0.09 -2.20 0.00 0.00 -1.09 0.00 0.00 33.01 29.64 1whd s GLN 56 CO 0.11 -0.42 0.87 1.28 -1.32 0.00 0.00 175.29 175.80 1whd n LEU 57 N -2.54 -3.39 -4.60 2.60 4.77 -1.23 -4.99 117.00 107.62 1whd n LEU 57 Ca 0.04 -0.46 -0.26 0.00 -0.03 0.00 0.00 56.01 55.29 1whd n LEU 57 Cb 0.54 -2.56 -0.09 0.00 -2.33 0.00 0.00 43.42 38.98 1whd n LEU 57 CO 0.56 0.41 -0.39 -1.81 -1.33 0.00 0.00 177.39 174.83 1whd s ASP 58 N -3.69 4.39 -0.24 -1.43 1.11 -1.26 -4.86 116.67 110.69 1whd s ASP 58 Ca 0.22 -0.54 -0.09 0.00 0.18 0.00 0.00 52.55 52.32 1whd s ASP 58 Cb -0.10 -0.80 -0.04 0.00 1.07 0.00 0.00 42.92 43.05 1whd s ASP 58 CO 0.58 0.09 0.12 -0.89 1.18 0.00 0.00 175.17 176.26 1whd s THR 59 N -1.75 5.00 -0.30 -1.27 2.01 -1.26 -0.93 115.64 117.14 1whd s THR 59 Ca 0.26 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1whd s THR 59 Cb -0.09 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.09 1whd s THR 59 CO 0.16 0.35 1.40 -0.69 -0.69 0.00 0.00 174.62 175.16 1whd s VAL 60 N 1.17 3.99 -0.10 3.82 1.01 -0.18 -2.96 120.40 127.14 1whd s VAL 60 Ca 0.06 1.10 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 1whd s VAL 60 Cb -0.14 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1whd s VAL 60 CO 0.05 -0.47 -0.05 -0.07 0.00 0.00 0.00 175.10 174.56 1whd h LEU 61 N 11.30 0.00 -7.54 3.92 3.38 -1.39 -3.41 115.31 121.57 1whd h LEU 61 Ca -0.28 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 1whd h LEU 61 Cb 1.11 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.67 1whd h LEU 61 CO 1.03 0.52 -0.28 0.00 0.09 0.00 0.00 178.44 179.80 1whd s GLN 62 N -1.69 0.70 0.05 1.13 -2.07 -1.22 -3.23 119.66 113.34 1whd s GLN 62 Ca -0.04 -0.31 0.07 0.00 -1.82 0.00 0.00 55.36 53.26 1whd s GLN 62 Cb 0.01 0.31 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 1whd s GLN 62 CO 0.06 -0.20 -0.18 -1.17 -1.32 0.00 0.00 175.29 172.48 1whd s LEU 63 N -1.57 2.18 -1.17 2.60 0.20 -0.67 -0.71 118.68 119.55 1whd s LEU 63 Ca -0.11 -0.52 -0.12 0.00 0.69 0.00 0.00 54.13 54.07 1whd s LEU 63 Cb -0.04 -0.83 0.11 0.00 -0.43 0.00 0.00 46.19 45.00 1whd s LEU 63 CO 0.02 0.10 0.41 0.59 -0.29 0.00 0.00 176.35 177.18 1whd n ASN 64 N 1.77 -2.38 -2.75 3.68 5.03 -1.06 0.15 115.26 119.71 1whd n ASN 64 Ca -0.18 -0.47 -0.19 0.00 0.87 0.00 0.00 54.58 54.61 1whd n ASN 64 Cb 0.54 -2.04 0.04 0.00 -1.02 0.00 0.00 39.78 37.30 1whd n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1whd n GLU 65 N -3.54 -5.04 -4.25 3.52 1.02 -1.26 -5.01 120.64 106.08 1whd n GLU 65 Ca 0.04 0.74 -0.18 0.00 -0.02 0.00 0.00 57.16 57.74 1whd n GLU 65 Cb 0.50 -5.33 -0.13 0.00 -0.02 0.00 0.00 31.44 26.46 1whd n GLU 65 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1whd s ARG 66 N -5.72 0.75 -0.32 3.49 1.70 0.40 -5.11 118.95 114.15 1whd s ARG 66 Ca 0.34 -0.67 -0.29 0.00 -0.47 0.00 0.00 55.73 54.64 1whd s ARG 66 Cb -0.15 -0.70 -0.01 0.00 -0.57 0.00 0.00 34.95 33.52 1whd s ARG 66 CO 0.42 0.17 1.68 -1.25 -1.08 0.00 0.00 175.30 175.23 1whd s PRO 67 N -1.10 3.50 -0.05 3.89 0.04 -1.26 -1.67 135.00 138.35 1whd s PRO 67 Ca -0.01 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.50 1whd s PRO 67 Cb -0.07 -4.12 0.12 0.00 0.04 0.00 0.00 34.50 30.46 1whd s PRO 67 CO 0.01 -1.66 1.00 1.33 0.04 0.00 0.00 177.00 177.72 1whd n VAL 68 N 7.12 1.07 0.26 -0.36 0.24 -1.24 -4.75 118.33 120.67 1whd n VAL 68 Ca 0.21 -1.23 0.11 0.00 -2.04 0.00 0.00 64.34 61.38 1whd n VAL 68 Cb 0.47 0.26 0.73 0.00 -1.47 0.00 0.00 33.84 33.82 1whd n VAL 68 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1whd h GLU 69 N 0.00 0.00 -0.26 7.34 3.07 -1.78 -0.92 114.58 122.03 1whd h GLU 69 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1whd h GLU 69 Cb 0.92 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 1whd h GLU 69 CO 0.00 0.00 -0.00 1.58 -1.40 0.00 0.00 179.01 179.19 1whd n HIS 70 N -4.31 0.92 -3.46 4.33 -0.00 -1.26 -3.93 115.22 107.51 1whd n HIS 70 Ca -0.02 -0.94 -0.37 0.00 0.46 0.00 0.00 57.72 56.85 1whd n HIS 70 Cb 0.12 -0.32 -0.06 0.00 -0.12 0.00 0.00 29.99 29.60 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1whd s TRP 71 N -2.87 3.55 0.60 1.57 0.52 -0.35 -4.83 118.94 117.13 1whd s TRP 71 Ca 0.42 0.79 -0.05 0.00 0.02 0.00 0.00 56.10 57.28 1whd s TRP 71 Cb 0.34 -2.39 0.02 0.00 -1.15 0.00 0.00 33.47 30.29 1whd s TRP 71 CO 0.08 0.32 0.91 0.15 0.02 0.00 0.00 176.95 178.43 1whd s LYS 72 N 0.12 2.79 0.18 4.98 3.01 -1.26 -3.56 119.74 126.00 1whd s LYS 72 Ca 0.22 -0.10 -0.22 0.00 -1.01 0.00 0.00 55.97 54.86 1whd s LYS 72 Cb -0.15 -2.27 0.10 0.00 -1.01 0.00 0.00 37.83 34.50 1whd s LYS 72 CO 0.08 -0.77 1.59 0.00 0.51 0.00 0.00 175.35 176.76 1whd n VAL 74 N -5.43 0.96 -0.01 0.00 0.24 -1.26 -0.65 118.33 112.18 1whd n VAL 74 Ca 0.03 0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 62.61 1whd n VAL 74 Cb 0.35 -1.36 -0.14 0.00 -1.47 0.00 0.00 33.84 31.21 1whd n VAL 74 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1whd n GLU 75 N -2.17 0.68 -0.07 7.34 4.07 0.31 -4.20 120.64 126.60 1whd n GLU 75 Ca 0.01 0.28 -0.05 0.00 -0.06 0.00 0.00 57.16 57.34 1whd n GLU 75 Cb 0.15 -1.75 -0.02 0.00 -0.06 0.00 0.00 31.44 29.75 1whd n GLU 75 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1whd h LEU 76 N 0.03 0.00 -0.92 4.31 5.85 0.53 -3.36 115.31 121.74 1whd h LEU 76 Ca -0.34 -0.10 0.34 0.00 0.84 0.00 0.00 57.88 58.61 1whd h LEU 76 Cb 2.03 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.94 1whd h LEU 76 CO 0.08 0.73 0.57 0.00 -0.34 0.00 0.00 178.44 179.48 1whd n ALA 77 N -3.23 0.93 0.14 1.25 0.00 0.18 0.92 120.51 120.70 1whd n ALA 77 Ca -0.07 0.68 -0.14 0.00 0.00 0.00 0.00 53.44 53.91 1whd n ALA 77 Cb 0.21 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 1whd n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1whd h HIS 78 N 0.00 -0.93 0.68 0.00 3.86 -1.73 -0.69 115.15 116.34 1whd h HIS 78 Ca 0.64 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.84 1whd h HIS 78 Cb 1.95 0.39 -0.00 0.00 1.06 0.00 0.00 27.41 30.80 1whd h HIS 78 CO -0.01 -0.46 -0.42 0.93 0.86 0.00 0.00 177.93 178.84 1whd h GLU 79 N -0.60 -1.00 -0.79 2.45 4.39 0.36 0.07 114.58 119.46 1whd h GLU 79 Ca 0.02 0.07 0.15 0.00 0.34 0.00 0.00 59.36 59.93 1whd h GLU 79 Cb 0.61 0.23 -0.15 0.00 -0.10 0.00 0.00 28.75 29.34 1whd h GLU 79 CO -0.16 -0.66 -0.28 0.82 -1.16 0.00 0.00 179.01 177.56 1whd h ILE 80 N -1.03 0.14 0.00 3.13 2.04 -1.40 1.31 117.51 121.69 1whd h ILE 80 Ca -0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1whd h ILE 80 Cb 0.83 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1whd h ILE 80 CO 0.09 0.00 -0.05 0.03 0.00 0.00 0.00 178.15 178.22 1whd h ARG 81 N -0.05 0.00 -1.00 2.37 3.08 -0.95 -3.01 114.38 114.82 1whd h ARG 81 Ca 0.34 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.59 1whd h ARG 81 Cb 0.59 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 1whd h ARG 81 CO -0.83 0.05 0.61 1.03 -1.07 0.00 0.00 179.97 179.76 1whd h SER 82 N 0.00 0.76 -3.51 7.04 0.87 0.38 -3.31 113.55 115.77 1whd h SER 82 Ca -0.00 0.10 -0.69 0.00 -1.23 0.00 0.00 61.79 59.96 1whd h SER 82 Cb 0.45 -0.04 -0.35 0.00 -0.44 0.00 0.00 62.40 62.03 1whd h SER 82 CO 0.01 0.26 -0.57 0.00 -0.53 0.00 0.00 176.83 176.00 1whd n PRO 84 N 4.57 0.43 0.00 0.00 -0.04 -1.25 -3.78 135.00 134.94 1whd n PRO 84 Ca -0.02 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1whd n PRO 84 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1whd n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whd n SER 85 N -1.06 0.00 -3.96 3.54 2.88 -1.26 -4.74 113.62 109.02 1whd n SER 85 Ca 0.11 0.13 -0.08 0.00 -1.33 0.00 0.00 58.87 57.70 1whd n SER 85 Cb 0.07 -0.35 -0.09 0.00 -0.75 0.00 0.00 64.21 63.08 1whd n SER 85 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1whd s GLU 86 N -0.70 0.64 -0.04 -1.46 -6.30 -1.25 -2.41 118.70 107.18 1whd s GLU 86 Ca 0.00 -0.94 -0.07 0.00 -2.50 0.00 0.00 54.97 51.46 1whd s GLU 86 Cb 0.00 0.25 0.01 0.00 0.00 0.00 0.00 34.13 34.39 1whd s GLU 86 CO 0.00 -0.16 0.18 0.96 0.02 0.00 0.00 175.26 176.26 1whd s ILE 87 N -3.27 0.03 -0.08 -3.70 -5.25 -1.05 -4.75 121.20 103.12 1whd s ILE 87 Ca 0.01 -0.25 0.01 0.00 -0.99 0.00 0.00 60.65 59.42 1whd s ILE 87 Cb 0.03 -0.34 -0.03 0.00 2.95 0.00 0.00 42.46 45.07 1whd s ILE 87 CO -0.08 -0.14 -0.08 -0.63 -1.79 0.00 0.00 174.94 172.22 1whd s ILE 88 N -0.46 3.56 -0.03 8.37 1.01 -1.26 -2.57 121.20 129.81 1whd s ILE 88 Ca -0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1whd s ILE 88 Cb -0.04 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1whd s ILE 88 CO 0.01 0.58 0.07 -1.48 0.00 0.00 0.00 174.94 174.11 1whd s LEU 89 N -0.54 0.98 -0.12 2.97 2.34 -1.15 -2.55 118.68 120.61 1whd s LEU 89 Ca 0.08 0.12 -0.05 0.00 0.06 0.00 0.00 54.13 54.34 1whd s LEU 89 Cb -0.12 0.07 -0.04 0.00 -0.56 0.00 0.00 46.19 45.54 1whd s LEU 89 CO 0.02 -0.13 0.07 -0.22 -1.06 0.00 0.00 176.35 175.03 1whd s LEU 90 N 1.08 3.96 0.16 1.48 2.96 0.11 -2.29 118.68 126.14 1whd s LEU 90 Ca -0.09 0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1whd s LEU 90 Cb -0.12 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1whd s LEU 90 CO -0.04 0.34 0.07 0.68 -1.32 0.00 0.00 176.35 176.08 1whd s VAL 91 N -0.61 0.20 -0.13 1.68 -7.23 -1.11 -0.97 120.40 112.22 1whd s VAL 91 Ca 0.11 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 1whd s VAL 91 Cb -0.12 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1whd s VAL 91 CO 0.02 -0.31 -0.00 0.86 -0.31 0.00 0.00 175.10 175.35 1whd s TRP 92 N -3.99 3.12 -0.01 2.82 -0.11 -1.16 -2.98 118.94 116.63 1whd s TRP 92 Ca 0.29 -0.04 0.05 0.00 1.22 0.00 0.00 56.10 57.62 1whd s TRP 92 Cb 0.07 -1.92 -0.01 0.00 -1.50 0.00 0.00 33.47 30.11 1whd s TRP 92 CO 0.06 0.19 -0.16 0.50 -4.62 0.00 0.00 176.95 172.92 1whd s ARG 93 N -0.10 1.28 -0.11 5.86 3.52 -1.19 -4.40 118.95 123.81 1whd s ARG 93 Ca 0.04 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.11 1whd s ARG 93 Cb -0.13 -1.24 0.01 0.00 -1.56 0.00 0.00 34.95 32.03 1whd s ARG 93 CO 0.02 0.34 -0.21 0.54 -0.81 0.00 0.00 175.30 175.17 1whd s VAL 94 N -0.36 1.91 -0.39 7.11 0.11 -1.26 -1.34 120.40 126.19 1whd s VAL 94 Ca 0.06 -0.92 0.04 0.00 -2.93 0.00 0.00 61.98 58.23 1whd s VAL 94 Cb -0.06 -1.68 0.11 0.00 -1.53 0.00 0.00 36.38 33.22 1whd s VAL 94 CO -0.01 0.53 0.11 -0.55 -3.33 0.00 0.00 175.10 171.85 1whd s SER 95 N 0.59 4.68 -0.41 3.54 0.15 -1.10 -4.95 113.70 116.21 1whd s SER 95 Ca -0.13 -2.37 0.04 0.00 0.70 0.00 0.00 55.95 54.18 1whd s SER 95 Cb -0.17 -1.64 0.16 0.00 -1.71 0.00 0.00 66.02 62.67 1whd s SER 95 CO 0.04 -0.35 0.37 -0.83 1.20 0.00 0.00 173.24 173.67 1whd s GLY 96 N 0.63 0.57 -0.41 9.45 0.00 -1.26 -4.82 107.32 111.48 1whd s GLY 96 Ca 0.12 -1.80 -0.28 0.00 0.00 0.00 0.00 44.72 42.77 1whd s GLY 96 CO -0.06 2.44 1.74 2.56 0.00 0.00 0.00 173.10 179.78 1whd s PRO 97 N 0.61 3.22 -1.48 2.90 0.04 -1.26 -3.48 135.00 135.55 1whd s PRO 97 Ca 0.27 1.14 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 1whd s PRO 97 Cb -0.05 -4.21 0.04 0.00 0.04 0.00 0.00 34.50 30.32 1whd s PRO 97 CO -0.11 -2.00 0.52 -1.13 0.04 0.00 0.00 177.00 174.32 1whd n SER 98 N 10.55 -1.18 -3.86 6.66 3.41 -1.26 -0.85 113.62 127.09 1whd n SER 98 Ca 0.21 -1.00 -0.24 0.00 -0.26 0.00 0.00 58.87 57.57 1whd n SER 98 Cb 0.48 -3.00 0.00 0.00 -0.26 0.00 0.00 64.21 61.44 1whd n SER 98 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whd n SER 99 N -2.90 -1.12 0.00 4.04 7.64 -1.23 -5.33 113.62 114.72 1whd n SER 99 Ca -0.21 -0.91 0.01 0.00 1.01 0.00 0.00 58.87 58.77 1whd n SER 99 Cb 0.63 -3.52 0.04 0.00 -1.01 0.00 0.00 64.21 60.36 1whd n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64