#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whd s SER 2 N 0.00 3.20 -0.01 1.61 0.15 -1.26 -5.13 113.70 112.26 1whd s SER 2 Ca 0.00 -0.43 -0.25 0.00 0.70 0.00 0.00 55.95 55.97 1whd s SER 2 Cb 0.00 -0.41 0.05 0.00 -1.71 0.00 0.00 66.02 63.95 1whd s SER 2 CO 0.00 0.32 0.55 -0.55 1.20 0.00 0.00 173.24 174.77 1whd s SER 3 N -0.65 -0.50 -0.41 5.45 0.15 -1.26 -5.13 113.70 111.36 1whd s SER 3 Ca 0.10 0.42 -0.29 0.00 0.70 0.00 0.00 55.95 56.89 1whd s SER 3 Cb -0.10 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1whd s SER 3 CO -0.01 -0.61 1.12 -0.83 1.20 0.00 0.00 173.24 174.11 1whd s GLY 4 N -1.45 1.40 -0.19 9.45 0.00 -1.26 -4.99 107.32 110.28 1whd s GLY 4 Ca -0.10 -0.29 -0.24 0.00 0.00 0.00 0.00 44.72 44.09 1whd s GLY 4 CO 0.05 2.36 0.64 -0.56 0.00 0.00 0.00 173.10 175.60 1whd s SER 5 N 2.14 -0.65 -0.35 1.64 0.01 -1.26 -5.14 113.70 110.09 1whd s SER 5 Ca 0.47 1.13 -0.07 0.00 1.31 0.00 0.00 55.95 58.80 1whd s SER 5 Cb -0.09 1.12 0.04 0.00 0.21 0.00 0.00 66.02 67.30 1whd s SER 5 CO 0.25 -0.32 0.12 -0.55 0.41 0.00 0.00 173.24 173.15 1whd s SER 6 N -0.06 5.36 0.05 2.44 0.15 -1.26 -5.08 113.70 115.30 1whd s SER 6 Ca -0.03 -1.19 -0.25 0.00 0.70 0.00 0.00 55.95 55.17 1whd s SER 6 Cb -0.04 -1.88 -0.06 0.00 -1.71 0.00 0.00 66.02 62.33 1whd s SER 6 CO 0.03 -0.35 0.79 -0.83 1.20 0.00 0.00 173.24 174.07 1whd s GLY 7 N 1.48 2.81 -0.14 9.45 0.00 -1.26 -5.04 107.32 114.63 1whd s GLY 7 Ca -0.01 0.31 -0.32 0.00 0.00 0.00 0.00 44.72 44.70 1whd s GLY 7 CO 0.03 1.13 1.11 -1.83 0.00 0.00 0.00 173.10 173.53 1whd s GLU 8 N -0.07 0.46 0.00 2.90 -1.05 -1.26 -5.15 118.70 114.54 1whd s GLU 8 Ca 0.39 -0.12 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 1whd s GLU 8 Cb -0.21 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.70 1whd s GLU 8 CO 0.24 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.66 1whd n GLY 9 N 0.01 -1.20 2.96 -3.83 0.00 -1.26 -5.14 105.19 96.73 1whd n GLY 9 Ca -0.03 0.70 -0.19 0.00 0.00 0.00 0.00 46.02 46.50 1whd n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1whd s ASP 10 N -4.00 0.93 1.17 1.61 -4.77 -1.26 -5.16 116.67 105.20 1whd s ASP 10 Ca 0.00 -0.14 -0.14 0.00 -3.30 0.00 0.00 52.55 48.97 1whd s ASP 10 Cb 0.00 -0.27 0.21 0.00 -1.09 0.00 0.00 42.92 41.77 1whd s ASP 10 CO 0.00 0.03 0.74 -0.81 0.70 0.00 0.00 175.17 175.83 1whd n PRO 11 N 3.39 -2.47 -3.22 2.11 -0.04 -1.26 -4.98 135.00 128.53 1whd n PRO 11 Ca -0.19 -1.18 -0.43 0.00 -0.04 0.00 0.00 63.50 61.66 1whd n PRO 11 Cb 0.54 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.82 1whd n PRO 11 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1whd s GLU 12 N -4.68 3.12 -0.17 0.54 0.41 -1.26 -4.91 118.70 111.75 1whd s GLU 12 Ca 0.48 -0.83 -0.14 0.00 -0.41 0.00 0.00 54.97 54.07 1whd s GLU 12 Cb -0.05 -4.05 -0.07 0.00 -1.78 0.00 0.00 34.13 28.19 1whd s GLU 12 CO 0.37 -1.07 -0.20 0.09 -0.49 0.00 0.00 175.26 173.95 1whd n ASN 13 N 5.93 1.87 -4.95 -0.19 5.03 -1.26 -4.99 115.26 116.69 1whd n ASN 13 Ca -0.07 0.49 -0.23 0.00 0.87 0.00 0.00 54.58 55.65 1whd n ASN 13 Cb 0.46 -0.84 -0.01 0.00 -1.02 0.00 0.00 39.78 38.37 1whd n ASN 13 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1whd s GLY 14 N -4.62 1.36 0.02 7.41 0.00 -1.26 -3.36 107.32 106.87 1whd s GLY 14 Ca -0.23 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.44 1whd s GLY 14 CO 0.35 -0.95 0.05 1.85 0.00 0.00 0.00 173.10 174.40 1whd s GLU 15 N -4.29 0.44 0.01 2.90 2.56 -0.19 -4.96 118.70 115.17 1whd s GLU 15 Ca 0.40 -0.60 -0.30 0.00 0.00 0.00 0.00 54.97 54.47 1whd s GLU 15 Cb -0.10 0.17 -0.05 0.00 2.00 0.00 0.00 34.13 36.16 1whd s GLU 15 CO 0.35 -0.09 1.20 0.15 -0.56 0.00 0.00 175.26 176.31 1whd s LYS 16 N -1.78 4.39 0.04 4.30 -0.14 -1.26 -3.29 119.74 122.00 1whd s LYS 16 Ca -0.12 1.73 0.01 0.00 -1.36 0.00 0.00 55.97 56.22 1whd s LYS 16 Cb -0.07 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.60 1whd s LYS 16 CO -0.01 -0.35 -0.05 -0.51 -0.76 0.00 0.00 175.35 173.67 1whd s LEU 17 N 1.62 2.33 -0.07 3.17 1.43 -1.21 -5.04 118.68 120.91 1whd s LEU 17 Ca 0.58 -0.68 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1whd s LEU 17 Cb -0.27 0.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.96 1whd s LEU 17 CO 0.26 -0.36 -0.23 -1.58 0.23 0.00 0.00 176.35 174.67 1whd s GLN 18 N -2.31 2.70 -0.11 1.70 0.74 -1.26 -3.01 119.66 118.11 1whd s GLN 18 Ca -0.06 -0.88 0.03 0.00 0.05 0.00 0.00 55.36 54.51 1whd s GLN 18 Cb -0.04 -2.23 0.00 0.00 1.10 0.00 0.00 33.01 31.84 1whd s GLN 18 CO -0.03 0.34 -0.23 0.42 -0.55 0.00 0.00 175.29 175.24 1whd s ILE 19 N -0.06 2.03 -0.28 -2.34 -1.09 -1.17 -5.04 121.20 113.26 1whd s ILE 19 Ca -0.06 -0.99 -0.07 0.00 -2.23 0.00 0.00 60.65 57.30 1whd s ILE 19 Cb -0.15 -1.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1whd s ILE 19 CO 0.05 0.55 0.07 -0.89 -1.23 0.00 0.00 174.94 173.48 1whd s THR 20 N 0.51 3.98 -0.04 2.92 2.01 -1.26 -3.04 115.64 120.71 1whd s THR 20 Ca -0.15 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.17 1whd s THR 20 Cb -0.17 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 1whd s THR 20 CO 0.05 0.16 0.29 -0.63 -0.69 0.00 0.00 174.62 173.80 1whd s ILE 21 N 1.52 5.25 -0.22 1.82 1.01 -0.96 -4.83 121.20 124.79 1whd s ILE 21 Ca 0.04 0.48 -0.07 0.00 0.00 0.00 0.00 60.65 61.09 1whd s ILE 21 Cb -0.16 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1whd s ILE 21 CO 0.02 0.54 0.07 -0.13 0.00 0.00 0.00 174.94 175.44 1whd s ARG 22 N -1.23 3.79 -0.62 2.79 3.00 -1.26 -2.71 118.95 122.71 1whd s ARG 22 Ca 0.22 -0.42 -0.28 0.00 0.00 0.00 0.00 55.73 55.24 1whd s ARG 22 Cb -0.14 -3.30 -0.12 0.00 0.00 0.00 0.00 34.95 31.40 1whd s ARG 22 CO 0.11 -0.01 2.48 -2.13 0.00 0.00 0.00 175.30 175.74 1whd n ARG 23 N 4.41 0.78 -4.28 3.54 0.63 -1.12 -4.70 116.66 115.92 1whd n ARG 23 Ca -0.16 0.03 -0.17 0.00 -0.92 0.00 0.00 57.85 56.63 1whd n ARG 23 Cb 0.52 -2.82 -0.10 0.00 0.45 0.00 0.00 32.46 30.51 1whd n ARG 23 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1whd s GLY 24 N 10.85 1.20 -1.48 5.14 0.00 0.41 -4.75 107.32 118.68 1whd s GLY 24 Ca 1.10 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 1whd s GLY 24 CO 0.35 -1.55 0.96 0.28 0.00 0.00 0.00 173.10 173.14 1whd n LYS 25 N 0.06 -5.71 -3.57 2.90 4.01 -1.26 -1.44 118.16 113.13 1whd n LYS 25 Ca -0.12 0.63 -0.22 0.00 -0.51 0.00 0.00 58.31 58.09 1whd n LYS 25 Cb 0.59 -5.49 0.08 0.00 -0.51 0.00 0.00 35.03 29.70 1whd n LYS 25 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1whd n ASP 26 N -2.89 -4.40 0.00 4.39 -0.08 -1.26 -4.88 116.55 107.42 1whd n ASP 26 Ca -0.02 -0.61 0.00 0.00 -1.51 0.00 0.00 54.79 52.65 1whd n ASP 26 Cb 0.56 -4.91 0.00 0.00 2.34 0.00 0.00 41.12 39.11 1whd n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whd n GLY 27 N -1.65 -0.85 0.08 0.27 0.00 -0.52 -5.06 105.19 97.45 1whd n GLY 27 Ca -0.11 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 1whd n GLY 27 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1whd n PHE 28 N 5.77 0.24 0.00 1.61 3.72 -1.26 0.15 117.46 127.70 1whd n PHE 28 Ca 0.00 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1whd n PHE 28 Cb 0.00 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 1whd n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1whd n GLY 29 N 1.51 3.81 3.86 1.37 0.00 -1.26 -4.08 105.19 110.40 1whd n GLY 29 Ca -0.11 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 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 3.50 0.02 1.61 -0.71 -1.26 -3.49 117.98 117.64 1whd s PHE 30 Ca 0.00 0.93 0.03 0.00 -1.04 0.00 0.00 56.93 56.86 1whd s PHE 30 Cb 0.00 -2.29 -0.03 0.00 -1.21 0.00 0.00 43.02 39.48 1whd s PHE 30 CO 0.00 0.35 -0.06 0.99 -1.34 0.00 0.00 175.22 175.16 1whd s THR 31 N -1.65 3.71 -0.09 -4.49 2.01 -0.60 -4.98 115.64 109.54 1whd s THR 31 Ca 0.43 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 1whd s THR 31 Cb -0.13 -2.63 0.05 0.00 0.01 0.00 0.00 72.50 69.79 1whd s THR 31 CO 0.20 0.36 0.19 0.27 -0.69 0.00 0.00 174.62 174.95 1whd s ILE 32 N -1.04 -0.17 -0.20 1.82 -4.36 -1.26 -1.73 121.20 114.26 1whd s ILE 32 Ca 0.18 0.24 -0.08 0.00 -0.26 0.00 0.00 60.65 60.73 1whd s ILE 32 Cb -0.11 -0.32 0.09 0.00 1.25 0.00 0.00 42.46 43.37 1whd s ILE 32 CO 0.09 0.10 0.43 0.00 0.24 0.00 0.00 174.94 175.80 1whd s ASP 35 N -2.23 6.47 -0.28 0.00 1.47 -1.26 -1.66 116.67 119.18 1whd s ASP 35 Ca 0.11 0.55 -0.28 0.00 1.18 0.00 0.00 52.55 54.10 1whd s ASP 35 Cb -0.00 -2.18 -0.12 0.00 -0.34 0.00 0.00 42.92 40.28 1whd s ASP 35 CO -0.04 0.16 0.95 -1.54 0.68 0.00 0.00 175.17 175.38 1whd n SER 36 N 3.20 0.69 -4.77 2.11 3.41 -1.12 -4.00 113.62 113.14 1whd n SER 36 Ca -0.13 0.72 -0.36 0.00 -0.26 0.00 0.00 58.87 58.84 1whd n SER 36 Cb 0.52 -0.54 -0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 1.71 3.51 0.48 4.33 0.04 -1.26 -4.96 135.00 138.85 1whd s PRO 37 Ca 0.63 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 1whd s PRO 37 Cb -0.90 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 1whd s PRO 37 CO 0.49 -0.74 0.92 0.08 0.04 0.00 0.00 177.00 177.79 1whd s VAL 38 N -1.69 4.60 0.15 -0.36 1.01 -1.26 -4.90 120.40 117.96 1whd s VAL 38 Ca 0.69 1.06 -0.06 0.00 0.00 0.00 0.00 61.98 63.67 1whd s VAL 38 Cb -0.26 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1whd s VAL 38 CO 0.30 -0.62 0.21 -0.13 0.00 0.00 0.00 175.10 174.86 1whd s ARG 39 N -3.96 1.09 0.17 2.72 0.52 -1.26 -1.89 118.95 116.34 1whd s ARG 39 Ca 0.57 -1.27 -0.18 0.00 -0.52 0.00 0.00 55.73 54.33 1whd s ARG 39 Cb -0.10 0.33 -0.08 0.00 0.52 0.00 0.00 34.95 35.63 1whd s ARG 39 CO 0.30 -0.37 0.64 0.08 0.02 0.00 0.00 175.30 175.97 1whd s VAL 40 N -4.00 4.69 -0.15 3.52 1.01 -0.29 -3.17 120.40 122.01 1whd s VAL 40 Ca 0.20 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 63.18 1whd s VAL 40 Cb 0.05 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 1whd s VAL 40 CO 0.01 0.27 -0.08 -0.61 0.00 0.00 0.00 175.10 174.70 1whd h GLN 41 N 3.64 0.00 -1.61 2.72 4.15 -1.62 -3.15 115.11 119.24 1whd h GLN 41 Ca -0.48 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.13 1whd h GLN 41 Cb 1.20 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.69 1whd h GLN 41 CO 0.65 0.22 0.72 0.00 -1.93 0.00 0.00 178.83 178.49 1whd s ALA 42 N -2.64 -2.00 -0.16 3.38 0.00 -1.13 -4.55 121.76 114.65 1whd s ALA 42 Ca -0.17 1.51 -0.04 0.00 0.00 0.00 0.00 51.96 53.26 1whd s ALA 42 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1whd s ALA 42 CO 0.29 -0.53 -0.03 0.08 0.00 0.00 0.00 175.76 175.57 1whd s VAL 43 N -2.20 3.90 -0.03 0.00 1.01 -1.26 -1.56 120.40 120.25 1whd s VAL 43 Ca 0.07 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1whd s VAL 43 Cb -0.01 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1whd s VAL 43 CO -0.05 0.48 1.47 -0.62 0.00 0.00 0.00 175.10 176.38 1whd s ASP 44 N 0.49 6.80 0.00 3.32 -1.08 -1.23 -4.88 116.67 120.09 1whd s ASP 44 Ca -0.03 2.11 -0.04 0.00 -0.52 0.00 0.00 52.55 54.07 1whd s ASP 44 Cb -0.14 -2.55 -0.19 0.00 -1.46 0.00 0.00 42.92 38.58 1whd s ASP 44 CO 0.03 -0.79 2.89 -1.20 0.52 0.00 0.00 175.17 176.62 1whd n SER 45 N 6.04 4.38 -1.38 -0.34 7.64 -1.26 -3.24 113.62 125.45 1whd n SER 45 Ca 0.15 -2.30 -0.02 0.00 1.01 0.00 0.00 58.87 57.71 1whd n SER 45 Cb 0.43 -1.15 0.02 0.00 -1.01 0.00 0.00 64.21 62.50 1whd n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whd n GLY 46 N 2.44 0.02 1.16 0.23 0.00 -1.26 -5.15 105.19 102.63 1whd n GLY 46 Ca 0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.32 3.44 0.17 -0.02 0.00 -1.20 -5.07 105.19 102.19 1whd n GLY 47 Ca -0.08 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 0.52 -0.90 1.61 0.13 -1.84 -3.29 132.00 128.23 1whd h PRO 48 Ca -0.09 -0.27 0.13 0.00 -0.87 0.00 0.00 66.00 64.90 1whd h PRO 48 Cb 0.43 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.43 1whd h PRO 48 CO 0.12 0.85 -0.37 0.00 -0.23 0.00 0.00 178.00 178.38 1whd n ALA 49 N -2.45 -0.16 0.19 -0.56 0.00 -1.26 -0.84 120.51 115.43 1whd n ALA 49 Ca -0.05 0.88 -0.16 0.00 0.00 0.00 0.00 53.44 54.11 1whd n ALA 49 Cb 0.41 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 1whd n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1whd h GLU 50 N 0.00 -0.77 -0.86 0.00 4.81 -1.81 -1.49 114.58 114.45 1whd h GLU 50 Ca 0.29 0.05 0.34 0.00 -0.13 0.00 0.00 59.36 59.92 1whd h GLU 50 Cb 0.52 0.18 -0.15 0.00 0.63 0.00 0.00 28.75 29.92 1whd h GLU 50 CO -0.89 -0.52 0.39 0.54 -0.73 0.00 0.00 179.01 177.81 1whd n ARG 51 N -5.17 -0.05 -0.04 1.92 5.12 -0.02 0.13 116.66 118.55 1whd n ARG 51 Ca -0.09 1.20 -0.13 0.00 -1.93 0.00 0.00 57.85 56.89 1whd n ARG 51 Cb 0.39 -2.11 -0.09 0.00 -1.16 0.00 0.00 32.46 29.50 1whd n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1whd h ALA 52 N 1.71 0.12 0.00 7.54 0.00 -0.79 -3.48 119.26 124.36 1whd h ALA 52 Ca 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1whd h ALA 52 Cb 1.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1whd h ALA 52 CO -0.68 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 178.98 1whd n GLY 53 N 0.38 0.81 3.70 0.00 0.00 0.34 -4.99 105.19 105.43 1whd n GLY 53 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 4.25 0.32 0.99 0.20 -1.11 -5.01 118.68 118.31 1whd s LEU 54 Ca 0.00 1.06 0.08 0.00 0.69 0.00 0.00 54.13 55.96 1whd s LEU 54 Cb 0.00 -3.02 -0.03 0.00 -0.43 0.00 0.00 46.19 42.71 1whd s LEU 54 CO 0.00 -0.18 0.21 0.00 -0.29 0.00 0.00 176.35 176.09 1whd s GLN 55 N 1.25 2.63 0.41 1.98 -2.07 -1.26 -4.74 119.66 117.86 1whd s GLN 55 Ca 0.34 -1.33 0.06 0.00 -1.82 0.00 0.00 55.36 52.61 1whd s GLN 55 Cb -0.17 -2.39 0.00 0.00 -1.09 0.00 0.00 33.01 29.37 1whd s GLN 55 CO 0.15 0.17 0.56 1.14 -1.32 0.00 0.00 175.29 175.99 1whd s GLN 56 N -3.91 2.92 -0.99 9.60 -2.07 -1.26 -4.56 119.66 119.40 1whd s GLN 56 Ca 0.38 -1.05 -0.05 0.00 -1.82 0.00 0.00 55.36 52.82 1whd s GLN 56 Cb -0.05 -2.74 0.01 0.00 -1.09 0.00 0.00 33.01 29.14 1whd s GLN 56 CO 0.25 -0.20 0.86 1.28 -1.32 0.00 0.00 175.29 176.15 1whd n LEU 57 N -1.85 -3.13 -4.33 2.60 4.77 -1.19 -4.99 117.00 108.88 1whd n LEU 57 Ca 0.05 -0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 55.33 1whd n LEU 57 Cb 0.59 -2.39 -0.14 0.00 -2.33 0.00 0.00 43.42 39.15 1whd n LEU 57 CO 0.41 0.45 -0.55 1.51 -1.33 0.00 0.00 177.39 177.88 1whd s ASP 58 N -3.38 2.98 -0.01 -1.43 -4.77 -1.26 -4.91 116.67 103.89 1whd s ASP 58 Ca 0.36 -0.64 -0.16 0.00 -3.30 0.00 0.00 52.55 48.81 1whd s ASP 58 Cb -0.16 -0.23 -0.06 0.00 -1.09 0.00 0.00 42.92 41.39 1whd s ASP 58 CO 0.54 0.19 0.45 -0.89 0.70 0.00 0.00 175.17 176.16 1whd s THR 59 N -0.92 5.01 -0.46 2.11 2.01 -1.26 -1.14 115.64 120.99 1whd s THR 59 Ca 0.11 0.92 -0.21 0.00 0.31 0.00 0.00 61.69 62.82 1whd s THR 59 Cb -0.10 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1whd s THR 59 CO 0.03 0.52 0.69 -0.69 -0.69 0.00 0.00 174.62 174.49 1whd s VAL 60 N -0.73 4.77 -0.08 3.82 1.01 -0.79 -2.74 120.40 125.65 1whd s VAL 60 Ca 0.25 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 1whd s VAL 60 Cb -0.17 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.79 1whd s VAL 60 CO 0.14 -0.69 0.70 -0.07 0.00 0.00 0.00 175.10 175.18 1whd h LEU 61 N 9.88 -0.11 -7.32 3.92 3.38 -1.67 -3.41 115.31 119.98 1whd h LEU 61 Ca -0.26 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.19 1whd h LEU 61 Cb 1.09 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.70 1whd h LEU 61 CO 0.93 0.54 -0.07 0.00 0.09 0.00 0.00 178.44 179.93 1whd s GLN 62 N -2.82 0.92 0.05 1.13 -2.07 -1.23 -3.35 119.66 112.28 1whd s GLN 62 Ca -0.12 -0.26 0.06 0.00 -1.82 0.00 0.00 55.36 53.22 1whd s GLN 62 Cb -0.00 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.31 1whd s GLN 62 CO 0.45 -0.31 -0.17 -1.17 -1.32 0.00 0.00 175.29 172.77 1whd s LEU 63 N -1.84 2.19 -1.66 2.60 0.20 -0.16 -1.02 118.68 118.99 1whd s LEU 63 Ca -0.07 -0.51 -0.20 0.00 0.69 0.00 0.00 54.13 54.04 1whd s LEU 63 Cb -0.01 -0.73 0.19 0.00 -0.43 0.00 0.00 46.19 45.21 1whd s LEU 63 CO -0.00 0.06 0.61 0.59 -0.29 0.00 0.00 176.35 177.32 1whd n ASN 64 N 1.75 -2.33 -2.78 3.68 5.03 -0.53 0.17 115.26 120.26 1whd n ASN 64 Ca -0.18 -1.00 -0.20 0.00 0.87 0.00 0.00 54.58 54.08 1whd n ASN 64 Cb 0.54 -1.98 0.04 0.00 -1.02 0.00 0.00 39.78 37.36 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 -4.02 -5.02 -4.30 3.52 1.02 -1.26 -5.01 120.64 105.57 1whd n GLU 65 Ca 0.09 0.76 -0.18 0.00 -0.02 0.00 0.00 57.16 57.81 1whd n GLU 65 Cb 0.47 -5.38 -0.14 0.00 -0.02 0.00 0.00 31.44 26.37 1whd n GLU 65 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1whd s ARG 66 N -5.71 0.72 -0.08 3.49 0.52 0.46 -5.12 118.95 113.23 1whd s ARG 66 Ca 0.33 -0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 54.79 1whd s ARG 66 Cb -0.15 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.61 1whd s ARG 66 CO 0.41 0.18 1.51 -1.25 0.02 0.00 0.00 175.30 176.17 1whd s PRO 67 N -0.58 4.20 -0.05 3.54 0.04 -1.26 -0.99 135.00 139.90 1whd s PRO 67 Ca 0.01 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.13 1whd s PRO 67 Cb -0.05 -3.88 0.11 0.00 0.04 0.00 0.00 34.50 30.72 1whd s PRO 67 CO 0.00 -0.78 1.00 1.33 0.04 0.00 0.00 177.00 178.59 1whd n VAL 68 N 5.38 0.85 0.27 -0.36 0.24 -1.21 -4.78 118.33 118.70 1whd n VAL 68 Ca 0.16 -0.99 0.10 0.00 -2.04 0.00 0.00 64.34 61.56 1whd n VAL 68 Cb 0.43 0.28 0.70 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.42 7.34 5.08 -1.78 -1.76 114.58 123.05 1whd h GLU 69 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1whd h GLU 69 Cb 1.09 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.17 1whd h GLU 69 CO 0.00 0.01 -0.20 -2.39 -1.00 0.00 0.00 179.01 175.43 1whd n HIS 70 N -4.36 1.37 -4.23 4.33 1.44 -1.26 -3.98 115.22 108.53 1whd n HIS 70 Ca -0.03 -1.80 -0.34 0.00 -2.01 0.00 0.00 57.72 53.54 1whd n HIS 70 Cb 0.10 -0.50 -0.08 0.00 0.12 0.00 0.00 29.99 29.62 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1whd s TRP 71 N -3.35 3.20 0.22 -1.40 0.52 -0.66 -4.89 118.94 112.58 1whd s TRP 71 Ca 0.46 0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.80 1whd s TRP 71 Cb 0.41 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1whd s TRP 71 CO -0.01 0.51 0.35 0.15 0.02 0.00 0.00 176.95 177.97 1whd s LYS 72 N -1.36 3.44 0.15 4.98 1.02 -1.26 -2.79 119.74 123.93 1whd s LYS 72 Ca 0.18 -0.69 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 1whd s LYS 72 Cb -0.12 -2.90 0.10 0.00 -0.52 0.00 0.00 37.83 34.40 1whd s LYS 72 CO 0.08 0.44 1.15 0.00 -0.92 0.00 0.00 175.35 176.10 1whd h VAL 74 N 0.00 1.21 -0.12 0.00 -1.51 -1.94 0.16 116.25 114.05 1whd h VAL 74 Ca 0.21 -0.45 -0.01 0.00 -1.23 0.00 0.00 66.70 65.22 1whd h VAL 74 Cb 0.40 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.66 1whd h VAL 74 CO -0.72 0.22 0.03 -0.08 -1.23 0.00 0.00 177.57 175.79 1whd h GLU 75 N 1.07 0.19 0.54 5.19 4.57 0.24 -3.04 114.58 123.34 1whd h GLU 75 Ca 0.28 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1whd h GLU 75 Cb -0.06 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1whd h GLU 75 CO -0.05 0.34 -0.26 1.25 -1.18 0.00 0.00 179.01 179.10 1whd h LEU 76 N 0.00 -0.62 -0.70 1.64 5.85 -0.15 -3.17 115.31 118.16 1whd h LEU 76 Ca 0.04 0.02 0.29 0.00 0.84 0.00 0.00 57.88 59.07 1whd h LEU 76 Cb 0.23 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 1whd h LEU 76 CO -0.00 -0.25 0.39 0.00 -0.34 0.00 0.00 178.44 178.24 1whd n ALA 77 N -2.65 0.72 0.14 1.25 0.00 0.53 0.15 120.51 120.64 1whd n ALA 77 Ca -0.09 0.68 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 1whd n ALA 77 Cb 0.29 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 1whd n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1whd h HIS 78 N 0.00 -0.59 0.47 0.00 -0.00 -1.50 -1.84 115.15 111.69 1whd h HIS 78 Ca 0.58 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.93 1whd h HIS 78 Cb 1.56 0.24 0.00 0.00 -0.00 0.00 0.00 27.41 29.21 1whd h HIS 78 CO -0.01 -0.33 -0.23 1.49 -0.00 0.00 0.00 177.93 178.86 1whd h GLU 79 N -0.45 -0.61 -0.54 5.26 4.57 0.13 -1.59 114.58 121.33 1whd h GLU 79 Ca 0.01 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1whd h GLU 79 Cb 0.44 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.11 1whd h GLU 79 CO -0.08 -0.41 -0.32 -0.89 -1.18 0.00 0.00 179.01 176.13 1whd n ILE 80 N -3.82 -0.37 -0.29 2.32 5.41 -0.93 0.15 119.36 121.84 1whd n ILE 80 Ca -0.08 1.73 0.13 0.00 1.00 0.00 0.00 62.75 65.53 1whd n ILE 80 Cb 0.25 -2.18 0.37 0.00 -0.71 0.00 0.00 39.64 37.38 1whd n ILE 80 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1whd h ARG 81 N 0.00 0.67 -1.23 0.38 3.08 -1.38 -1.54 114.38 114.36 1whd h ARG 81 Ca 0.09 -0.04 0.43 0.00 0.07 0.00 0.00 59.98 60.53 1whd h ARG 81 Cb 0.22 -0.15 -0.13 0.00 0.08 0.00 0.00 29.97 29.99 1whd h ARG 81 CO -0.51 0.44 0.78 0.45 -1.07 0.00 0.00 179.97 180.07 1whd n SER 82 N -4.60 0.20 -4.20 7.04 2.88 0.41 -3.11 113.62 112.24 1whd n SER 82 Ca 0.19 1.28 -0.40 0.00 -1.33 0.00 0.00 58.87 58.61 1whd n SER 82 Cb 0.52 -0.63 -0.09 0.00 -0.75 0.00 0.00 64.21 63.26 1whd n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whd h PRO 84 N 8.40 0.64 0.03 0.00 0.13 -1.80 -3.35 132.00 136.05 1whd h PRO 84 Ca -0.20 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1whd h PRO 84 Cb 1.07 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1whd h PRO 84 CO 0.83 0.94 -0.05 0.77 -0.23 0.00 0.00 178.00 180.26 1whd h SER 85 N 0.37 -0.15 -5.71 1.44 0.02 -1.92 -3.39 113.55 104.20 1whd h SER 85 Ca 0.04 0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 60.66 1whd h SER 85 Cb 0.81 0.05 -0.12 0.00 0.14 0.00 0.00 62.40 63.28 1whd h SER 85 CO 0.06 -0.06 -0.45 -1.61 -1.14 0.00 0.00 176.83 173.63 1whd s GLU 86 N -3.28 1.62 -0.13 3.45 8.01 -1.26 -2.77 118.70 124.34 1whd s GLU 86 Ca -0.02 -1.82 -0.15 0.00 0.01 0.00 0.00 54.97 53.00 1whd s GLU 86 Cb 0.01 0.34 0.04 0.00 -4.31 0.00 0.00 34.13 30.20 1whd s GLU 86 CO 0.06 -0.60 0.40 0.96 0.01 0.00 0.00 175.26 176.09 1whd s ILE 87 N -3.60 0.01 -0.17 -1.63 -5.25 -1.10 -4.62 121.20 104.83 1whd s ILE 87 Ca 0.37 -0.07 0.01 0.00 -0.99 0.00 0.00 60.65 59.97 1whd s ILE 87 Cb 0.03 -0.60 0.03 0.00 2.95 0.00 0.00 42.46 44.87 1whd s ILE 87 CO 0.21 -0.04 -0.14 -0.63 -1.79 0.00 0.00 174.94 172.54 1whd s ILE 88 N -0.06 1.72 -0.07 8.37 1.01 -1.26 -2.26 121.20 128.65 1whd s ILE 88 Ca -0.02 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1whd s ILE 88 Cb -0.03 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.79 1whd s ILE 88 CO 0.01 0.39 -0.16 -1.48 0.00 0.00 0.00 174.94 173.70 1whd s LEU 89 N 1.41 1.82 -0.15 2.97 2.34 -1.17 -1.45 118.68 124.44 1whd s LEU 89 Ca 0.03 -0.37 -0.11 0.00 0.06 0.00 0.00 54.13 53.74 1whd s LEU 89 Cb -0.14 -1.00 -0.05 0.00 -0.56 0.00 0.00 46.19 44.44 1whd s LEU 89 CO -0.10 0.09 0.20 -0.22 -1.06 0.00 0.00 176.35 175.26 1whd s LEU 90 N 0.44 4.28 0.15 1.48 2.96 -0.19 -3.02 118.68 124.78 1whd s LEU 90 Ca -0.13 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.19 1whd s LEU 90 Cb -0.15 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1whd s LEU 90 CO 0.05 0.22 0.08 0.68 -1.32 0.00 0.00 176.35 176.06 1whd s VAL 91 N -0.04 0.07 -0.18 1.68 -7.23 -1.16 -1.70 120.40 111.84 1whd s VAL 91 Ca 0.13 -1.92 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 1whd s VAL 91 Cb -0.12 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1whd s VAL 91 CO 0.02 -0.34 0.08 0.86 -0.31 0.00 0.00 175.10 175.41 1whd s TRP 92 N -4.07 3.30 -0.05 2.82 -0.11 -1.11 -3.28 118.94 116.43 1whd s TRP 92 Ca 0.28 0.15 0.06 0.00 1.22 0.00 0.00 56.10 57.80 1whd s TRP 92 Cb 0.07 -2.09 -0.01 0.00 -1.50 0.00 0.00 33.47 29.94 1whd s TRP 92 CO 0.04 0.21 -0.23 0.50 -4.62 0.00 0.00 176.95 172.85 1whd s ARG 93 N 0.31 2.30 -0.05 5.86 3.52 -1.21 -4.36 118.95 125.33 1whd s ARG 93 Ca 0.05 -0.83 0.06 0.00 -0.13 0.00 0.00 55.73 54.88 1whd s ARG 93 Cb -0.12 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 31.27 1whd s ARG 93 CO -0.00 0.36 -0.23 0.54 -0.81 0.00 0.00 175.30 175.16 1whd s VAL 94 N -0.15 2.31 -0.17 7.11 0.11 -1.26 -1.02 120.40 127.32 1whd s VAL 94 Ca -0.03 -0.99 -0.06 0.00 -2.93 0.00 0.00 61.98 57.98 1whd s VAL 94 Cb -0.13 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 1whd s VAL 94 CO 0.03 0.57 0.03 -0.55 -3.33 0.00 0.00 175.10 171.85 1whd s SER 95 N -0.33 5.35 -0.01 3.54 0.15 -1.21 -4.92 113.70 116.26 1whd s SER 95 Ca 0.02 0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.69 1whd s SER 95 Cb -0.12 -1.90 0.01 0.00 -1.71 0.00 0.00 66.02 62.29 1whd s SER 95 CO 0.02 0.17 -0.03 -0.83 1.20 0.00 0.00 173.24 173.76 1whd s GLY 96 N 0.39 0.24 0.00 9.45 0.00 -1.26 -4.76 107.32 111.38 1whd s GLY 96 Ca 0.01 -0.10 0.11 0.00 0.00 0.00 0.00 44.72 44.74 1whd s GLY 96 CO 0.01 0.06 1.11 -1.55 0.00 0.00 0.00 173.10 172.73 1whd n PRO 97 N 3.32 0.49 -1.00 2.90 -0.04 -1.26 -4.89 135.00 134.53 1whd n PRO 97 Ca -0.17 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.95 1whd n PRO 97 Cb 0.56 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 1whd n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whd n SER 98 N -0.86 -1.23 -0.09 3.54 2.88 -1.26 -4.90 113.62 111.70 1whd n SER 98 Ca 0.08 0.76 -0.12 0.00 -1.33 0.00 0.00 58.87 58.27 1whd n SER 98 Cb 0.04 -0.68 -0.09 0.00 -0.75 0.00 0.00 64.21 62.73 1whd n SER 98 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whd n SER 99 N 1.52 2.42 0.00 -3.46 2.88 -1.26 -5.29 113.62 110.44 1whd n SER 99 Ca 0.12 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1whd n SER 99 Cb 0.21 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1whd n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42