#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 1.65 0.24 1.61 0.01 -1.26 -5.17 113.70 110.78 1whd s SER 2 Ca 0.00 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.26 1whd s SER 2 Cb 0.00 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 1whd s SER 2 CO 0.00 -0.37 0.05 -0.44 0.41 0.00 0.00 173.24 172.89 1whd s SER 3 N -3.15 1.49 0.00 2.44 0.01 -1.26 -5.17 113.70 108.07 1whd s SER 3 Ca 0.16 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1whd s SER 3 Cb 0.03 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1whd s SER 3 CO -0.00 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1whd n GLY 4 N -0.43 4.41 3.67 3.44 0.00 -1.26 -5.19 105.19 109.83 1whd n GLY 4 Ca -0.03 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 1whd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whd s SER 5 N 1.45 0.28 -0.25 1.61 0.15 -1.26 -5.18 113.70 110.50 1whd s SER 5 Ca 0.00 -1.18 -0.21 0.00 0.70 0.00 0.00 55.95 55.26 1whd s SER 5 Cb 0.00 0.73 0.07 0.00 -1.71 0.00 0.00 66.02 65.11 1whd s SER 5 CO 0.00 -1.44 0.66 -0.94 1.20 0.00 0.00 173.24 172.72 1whd s SER 6 N -3.11 -0.74 0.00 5.45 1.04 -1.26 -5.06 113.70 110.02 1whd s SER 6 Ca 0.21 1.36 0.00 0.00 0.48 0.00 0.00 55.95 58.01 1whd s SER 6 Cb -0.03 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.43 1whd s SER 6 CO 0.14 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1whd n GLY 7 N 3.16 -0.60 0.59 7.32 0.00 -1.26 -5.09 105.19 109.31 1whd n GLY 7 Ca -0.16 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 0.28 0.00 1.61 1.02 -1.26 -4.97 120.64 117.33 1whd n GLU 8 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1whd n GLU 8 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 2.18 -0.28 3.16 0.62 0.00 -1.26 -5.08 105.19 104.53 1whd n GLY 9 Ca -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.97 -0.24 0.12 1.61 -1.08 -1.26 -5.14 116.67 108.71 1whd s ASP 10 Ca 0.00 0.42 -0.31 0.00 -0.52 0.00 0.00 52.55 52.14 1whd s ASP 10 Cb 0.00 0.49 -0.08 0.00 -1.46 0.00 0.00 42.92 41.87 1whd s ASP 10 CO 0.00 -0.17 1.36 -2.16 0.52 0.00 0.00 175.17 174.72 1whd s PRO 11 N -0.20 4.34 -0.70 4.34 0.04 -1.26 -4.96 135.00 136.60 1whd s PRO 11 Ca -0.03 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 1whd s PRO 11 Cb -0.03 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1whd s PRO 11 CO 0.01 -0.40 1.19 -1.21 0.04 0.00 0.00 177.00 176.64 1whd s GLU 12 N 0.97 3.21 0.00 4.56 0.41 -1.26 -4.93 118.70 121.67 1whd s GLU 12 Ca 0.63 -0.32 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 1whd s GLU 12 Cb -0.36 -4.17 0.00 0.00 -1.78 0.00 0.00 34.13 27.82 1whd s GLU 12 CO 0.31 -2.01 0.94 0.27 -0.49 0.00 0.00 175.26 174.28 1whd n ASN 13 N 8.86 0.00 -4.93 -0.19 6.94 -1.26 -4.80 115.26 119.88 1whd n ASN 13 Ca 0.02 0.94 -0.23 0.00 -0.02 0.00 0.00 54.58 55.29 1whd n ASN 13 Cb 0.48 -0.44 0.05 0.00 -2.36 0.00 0.00 39.78 37.52 1whd n ASN 13 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1whd s GLY 14 N -0.87 1.77 0.04 4.83 0.00 -1.26 -4.14 107.32 107.69 1whd s GLY 14 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 1whd s GLY 14 CO 0.00 -0.85 0.07 1.85 0.00 0.00 0.00 173.10 174.17 1whd s GLU 15 N -4.98 0.59 -0.18 2.90 2.12 0.31 -4.94 118.70 114.51 1whd s GLU 15 Ca 0.59 -0.85 -0.29 0.00 0.36 0.00 0.00 54.97 54.78 1whd s GLU 15 Cb -0.10 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 1whd s GLU 15 CO 0.41 -0.14 1.27 0.15 -0.54 0.00 0.00 175.26 176.41 1whd s LYS 16 N -2.86 4.19 -0.07 4.30 3.01 -1.26 -2.91 119.74 124.14 1whd s LYS 16 Ca -0.03 1.61 0.04 0.00 -1.01 0.00 0.00 55.97 56.58 1whd s LYS 16 Cb 0.00 -3.78 -0.00 0.00 -1.01 0.00 0.00 37.83 33.04 1whd s LYS 16 CO -0.06 -0.77 -0.20 -0.51 0.51 0.00 0.00 175.35 174.32 1whd s LEU 17 N 3.63 1.96 0.10 3.17 1.43 -1.09 -5.03 118.68 122.85 1whd s LEU 17 Ca 0.55 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 1whd s LEU 17 Cb -0.21 -1.19 -0.06 0.00 0.03 0.00 0.00 46.19 44.76 1whd s LEU 17 CO 0.16 0.15 0.46 -1.58 0.23 0.00 0.00 176.35 175.77 1whd s GLN 18 N 0.21 3.85 -0.27 1.70 0.74 -1.26 -3.03 119.66 121.59 1whd s GLN 18 Ca -0.11 0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.59 1whd s GLN 18 Cb -0.15 -2.98 0.08 0.00 1.10 0.00 0.00 33.01 31.06 1whd s GLN 18 CO 0.05 0.53 0.07 0.42 -0.55 0.00 0.00 175.29 175.82 1whd s ILE 19 N -1.41 0.73 -0.16 -2.34 -1.09 -1.01 -5.03 121.20 110.89 1whd s ILE 19 Ca 0.34 -1.08 -0.24 0.00 -2.23 0.00 0.00 60.65 57.45 1whd s ILE 19 Cb -0.14 -1.42 -0.02 0.00 -1.58 0.00 0.00 42.46 39.29 1whd s ILE 19 CO 0.18 -0.50 0.77 -0.89 -1.23 0.00 0.00 174.94 173.28 1whd s THR 20 N 1.72 4.93 -0.11 2.92 2.01 -1.26 -3.60 115.64 122.24 1whd s THR 20 Ca 0.05 1.52 -0.00 0.00 0.31 0.00 0.00 61.69 63.57 1whd s THR 20 Cb -0.17 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 1whd s THR 20 CO -0.20 0.08 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.08 1whd s ILE 21 N 1.87 3.30 -0.21 1.82 1.01 -1.02 -4.88 121.20 123.08 1whd s ILE 21 Ca 0.36 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 1whd s ILE 21 Cb -0.17 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1whd s ILE 21 CO 0.13 0.54 -0.13 -0.60 0.00 0.00 0.00 174.94 174.88 1whd s ARG 22 N 0.04 2.92 -0.67 2.79 3.52 -1.26 -1.98 118.95 124.32 1whd s ARG 22 Ca -0.03 -0.90 -0.20 0.00 -0.13 0.00 0.00 55.73 54.47 1whd s ARG 22 Cb -0.14 -2.79 -0.15 0.00 -1.56 0.00 0.00 34.95 30.31 1whd s ARG 22 CO 0.04 -0.30 1.79 -2.13 -0.81 0.00 0.00 175.30 173.89 1whd n ARG 23 N 4.64 0.00 0.00 5.12 0.63 -1.11 -4.77 116.66 121.17 1whd n ARG 23 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1whd n ARG 23 Cb 0.48 -0.99 0.00 0.00 0.45 0.00 0.00 32.46 32.40 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 4.33 2.59 3.51 5.14 0.00 -1.26 -4.77 105.19 114.73 1whd n GLY 24 Ca 0.44 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 1whd n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1whd n LYS 25 N 0.00 0.20 -3.38 1.61 0.00 -1.26 0.32 118.16 115.66 1whd n LYS 25 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 58.31 58.10 1whd n LYS 25 Cb 0.00 -1.85 0.08 0.00 0.00 0.00 0.00 35.03 33.26 1whd n LYS 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1whd n ASP 26 N 11.05 -3.11 -0.77 3.14 2.03 -1.26 -4.44 116.55 123.19 1whd n ASP 26 Ca 0.61 -0.55 0.07 0.00 0.52 0.00 0.00 54.79 55.43 1whd n ASP 26 Cb 0.15 -4.77 -0.02 0.00 -0.72 0.00 0.00 41.12 35.77 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 -1.33 -0.89 3.41 0.27 0.00 0.15 -4.26 105.19 102.54 1whd n GLY 27 Ca -0.19 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.11 0.18 -0.77 1.61 3.72 -1.26 -4.28 117.46 114.55 1whd n PHE 28 Ca 0.00 0.12 -0.10 0.00 -0.05 0.00 0.00 57.45 57.42 1whd n PHE 28 Cb 0.23 -1.09 -0.12 0.00 -0.94 0.00 0.00 39.48 37.56 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 5.69 2.58 3.27 1.37 0.00 -1.26 -4.75 105.19 112.08 1whd n GLY 29 Ca 0.66 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 1.57 -0.34 0.04 1.61 -0.12 -1.26 -2.37 117.98 117.12 1whd s PHE 30 Ca 0.51 0.74 0.09 0.00 -0.05 0.00 0.00 56.93 58.22 1whd s PHE 30 Cb 0.24 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 1whd s PHE 30 CO -0.00 -0.28 -0.26 0.99 -0.05 0.00 0.00 175.22 175.61 1whd s THR 31 N -0.41 2.18 -0.13 -4.49 2.01 -0.77 -4.99 115.64 109.03 1whd s THR 31 Ca -0.05 -1.36 -0.06 0.00 0.31 0.00 0.00 61.69 60.52 1whd s THR 31 Cb -0.03 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.69 1whd s THR 31 CO 0.02 0.38 0.31 0.27 -0.69 0.00 0.00 174.62 174.91 1whd s ILE 32 N -0.80 -0.16 -0.16 1.82 -5.25 -1.26 -1.53 121.20 113.85 1whd s ILE 32 Ca 0.12 0.16 -0.06 0.00 -0.99 0.00 0.00 60.65 59.87 1whd s ILE 32 Cb -0.10 -0.48 0.07 0.00 2.95 0.00 0.00 42.46 44.90 1whd s ILE 32 CO 0.02 0.07 0.35 0.00 -1.79 0.00 0.00 174.94 173.59 1whd s ASP 35 N -3.10 3.53 -0.27 0.00 1.01 -1.26 -1.75 116.67 114.84 1whd s ASP 35 Ca 0.22 -0.37 -0.30 0.00 0.71 0.00 0.00 52.55 52.81 1whd s ASP 35 Cb -0.01 -0.90 -0.13 0.00 1.01 0.00 0.00 42.92 42.89 1whd s ASP 35 CO 0.01 0.27 0.97 -1.20 0.21 0.00 0.00 175.17 175.44 1whd n SER 36 N 2.77 0.64 -4.77 0.27 7.64 -1.24 -4.03 113.62 114.90 1whd n SER 36 Ca -0.17 0.77 -0.35 0.00 1.01 0.00 0.00 58.87 60.12 1whd n SER 36 Cb 0.52 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1whd n SER 36 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1whd s PRO 37 N 1.60 3.37 0.27 1.43 0.04 -1.26 -5.02 135.00 135.43 1whd s PRO 37 Ca 0.66 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 63.03 1whd s PRO 37 Cb -0.94 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 1whd s PRO 37 CO 0.50 -0.84 0.95 0.08 0.04 0.00 0.00 177.00 177.73 1whd s VAL 38 N -1.77 4.10 0.26 -0.36 1.01 -1.26 -4.94 120.40 117.44 1whd s VAL 38 Ca 0.73 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.69 1whd s VAL 38 Cb -0.24 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1whd s VAL 38 CO 0.27 0.36 0.09 -0.13 0.00 0.00 0.00 175.10 175.69 1whd s ARG 39 N -1.52 1.41 0.33 2.72 0.52 -1.26 -0.64 118.95 120.50 1whd s ARG 39 Ca 0.45 -1.76 -0.18 0.00 -0.52 0.00 0.00 55.73 53.71 1whd s ARG 39 Cb -0.23 -0.28 -0.09 0.00 0.52 0.00 0.00 34.95 34.86 1whd s ARG 39 CO 0.29 -0.29 0.80 0.08 0.02 0.00 0.00 175.30 176.21 1whd s VAL 40 N -3.74 4.55 0.00 3.52 1.01 -0.68 -3.74 120.40 121.32 1whd s VAL 40 Ca 0.37 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1whd s VAL 40 Cb 0.08 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1whd s VAL 40 CO 0.13 -0.10 0.00 1.67 0.00 0.00 0.00 175.10 176.80 1whd n GLN 41 N -0.11 0.00 -3.66 2.72 0.00 -0.59 -3.56 117.38 112.18 1whd n GLN 41 Ca 0.03 0.12 -0.13 0.00 -0.00 0.00 0.00 57.00 57.03 1whd n GLN 41 Cb 0.53 -0.62 -0.08 0.00 0.00 0.00 0.00 30.24 30.07 1whd n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1whd s ALA 42 N -3.03 -1.56 -0.19 1.69 0.00 -0.85 -4.69 121.76 113.13 1whd s ALA 42 Ca 0.00 1.83 -0.16 0.00 0.00 0.00 0.00 51.96 53.63 1whd s ALA 42 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1whd s ALA 42 CO 0.00 -0.30 0.41 0.08 0.00 0.00 0.00 175.76 175.95 1whd s VAL 43 N 0.56 5.20 0.22 0.00 1.01 -1.26 -1.85 120.40 124.28 1whd s VAL 43 Ca -0.02 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1whd s VAL 43 Cb -0.05 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 1whd s VAL 43 CO -0.03 0.26 1.28 -0.62 0.00 0.00 0.00 175.10 176.00 1whd s ASP 44 N 0.98 6.93 -0.57 3.32 -1.08 -1.00 -4.95 116.67 120.30 1whd s ASP 44 Ca 0.20 2.41 -0.28 0.00 -0.52 0.00 0.00 52.55 54.36 1whd s ASP 44 Cb -0.15 -2.62 0.02 0.00 -1.46 0.00 0.00 42.92 38.72 1whd s ASP 44 CO 0.08 -0.48 1.28 -0.44 0.52 0.00 0.00 175.17 176.13 1whd s SER 45 N 0.13 6.33 0.00 -0.34 0.01 -1.26 -3.49 113.70 115.07 1whd s SER 45 Ca 0.54 0.20 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1whd s SER 45 Cb -0.36 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.32 1whd s SER 45 CO 0.40 -1.57 0.00 0.61 0.41 0.00 0.00 173.24 173.09 1whd n GLY 46 N 5.14 1.04 3.64 3.44 0.00 -1.26 -5.13 105.19 112.05 1whd n GLY 46 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1whd n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1whd s GLY 47 N -2.00 2.72 0.48 -0.02 0.00 -1.23 -4.88 107.32 102.40 1whd s GLY 47 Ca 0.00 -1.12 0.32 0.00 0.00 0.00 0.00 44.72 43.92 1whd s GLY 47 CO 0.00 -2.04 1.93 -0.56 0.00 0.00 0.00 173.10 172.43 1whd h PRO 48 N 1.62 0.00 0.14 2.90 0.13 -1.82 -3.02 132.00 131.94 1whd h PRO 48 Ca -0.41 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.52 1whd h PRO 48 Cb 1.28 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.44 1whd h PRO 48 CO 0.70 0.00 -0.84 0.00 -0.23 0.00 0.00 178.00 177.63 1whd h ALA 49 N 2.07 -0.08 -0.07 -0.56 0.00 -1.91 -3.25 119.26 115.45 1whd h ALA 49 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1whd h ALA 49 Cb 0.46 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1whd h ALA 49 CO 0.00 0.40 0.04 1.49 0.00 0.00 0.00 179.25 181.18 1whd h GLU 50 N -0.31 0.10 -0.74 0.00 4.81 -1.79 -1.88 114.58 114.76 1whd h GLU 50 Ca -0.14 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.27 1whd h GLU 50 Cb 1.65 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.97 1whd h GLU 50 CO 0.16 0.11 0.52 0.07 -0.73 0.00 0.00 179.01 179.14 1whd h ARG 51 N 0.06 0.16 0.23 1.92 -0.00 -1.67 -2.36 114.38 112.73 1whd h ARG 51 Ca 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.98 1whd h ARG 51 Cb 0.04 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1whd h ARG 51 CO -0.00 0.11 -0.11 0.00 -0.00 0.00 0.00 179.97 179.96 1whd h ALA 52 N 1.64 -0.31 0.00 0.08 0.00 -1.43 -3.48 119.26 115.76 1whd h ALA 52 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1whd h ALA 52 Cb 1.19 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1whd h ALA 52 CO -0.06 -0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.26 1whd n GLY 53 N 0.68 0.00 3.74 0.00 0.00 -0.77 -5.01 105.19 103.84 1whd n GLY 53 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 4.39 0.24 0.99 0.20 -1.07 -5.01 118.68 118.42 1whd s LEU 54 Ca 0.00 1.23 0.10 0.00 0.69 0.00 0.00 54.13 56.15 1whd s LEU 54 Cb 0.00 -3.04 -0.05 0.00 -0.43 0.00 0.00 46.19 42.68 1whd s LEU 54 CO 0.00 0.02 -0.18 -1.10 -0.29 0.00 0.00 176.35 174.80 1whd s GLN 55 N 0.13 1.50 0.47 1.98 -0.21 -1.26 -4.79 119.66 117.49 1whd s GLN 55 Ca 0.34 -1.65 -0.18 0.00 0.02 0.00 0.00 55.36 53.89 1whd s GLN 55 Cb -0.19 -1.49 -0.09 0.00 1.00 0.00 0.00 33.01 32.24 1whd s GLN 55 CO 0.19 0.28 0.96 -1.14 -2.12 0.00 0.00 175.29 173.45 1whd s GLN 56 N -3.44 4.04 -1.16 2.91 0.74 -1.26 -3.75 119.66 117.74 1whd s GLN 56 Ca 0.25 0.99 0.00 0.00 0.05 0.00 0.00 55.36 56.65 1whd s GLN 56 Cb -0.04 -2.17 0.00 0.00 1.10 0.00 0.00 33.01 31.90 1whd s GLN 56 CO 0.11 -0.16 0.00 1.28 -0.55 0.00 0.00 175.29 175.97 1whd n LEU 57 N -1.20 -1.34 -4.64 3.68 4.77 -1.23 -4.97 117.00 112.08 1whd n LEU 57 Ca 0.06 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 1whd n LEU 57 Cb 0.54 -1.95 -0.07 0.00 -2.33 0.00 0.00 43.42 39.61 1whd n LEU 57 CO 0.43 -0.31 0.31 -1.81 -1.33 0.00 0.00 177.39 174.67 1whd s ASP 58 N -2.59 6.54 0.01 -1.43 1.01 -1.25 -4.79 116.67 114.18 1whd s ASP 58 Ca 0.00 0.66 -0.30 0.00 0.71 0.00 0.00 52.55 53.62 1whd s ASP 58 Cb 0.00 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 1whd s ASP 58 CO 0.00 -0.28 1.04 -0.89 0.21 0.00 0.00 175.17 175.25 1whd s THR 59 N 2.14 4.63 -0.63 -1.27 2.01 -1.26 -1.69 115.64 119.58 1whd s THR 59 Ca 0.24 1.89 -0.23 0.00 0.31 0.00 0.00 61.69 63.91 1whd s THR 59 Cb -0.16 -4.21 0.06 0.00 0.01 0.00 0.00 72.50 68.20 1whd s THR 59 CO 0.09 0.14 0.96 -0.69 -0.69 0.00 0.00 174.62 174.43 1whd s VAL 60 N 1.10 4.33 -0.05 3.82 1.01 0.18 -3.01 120.40 127.79 1whd s VAL 60 Ca 0.54 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 1whd s VAL 60 Cb -0.23 -4.64 -0.13 0.00 0.00 0.00 0.00 36.38 31.38 1whd s VAL 60 CO 0.28 -1.36 0.79 -0.07 0.00 0.00 0.00 175.10 174.74 1whd h LEU 61 N 11.28 -0.27 -7.29 3.92 3.38 -1.70 -3.41 115.31 121.22 1whd h LEU 61 Ca -0.28 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.31 1whd h LEU 61 Cb 1.07 0.07 -0.28 0.00 0.09 0.00 0.00 40.66 41.61 1whd h LEU 61 CO 1.15 0.24 -0.39 0.00 0.09 0.00 0.00 178.44 179.53 1whd s GLN 62 N -3.39 0.30 -0.09 1.13 -2.07 -1.23 -3.35 119.66 110.96 1whd s GLN 62 Ca -0.11 0.65 0.02 0.00 -1.82 0.00 0.00 55.36 54.11 1whd s GLN 62 Cb 0.01 -0.07 -0.02 0.00 -1.09 0.00 0.00 33.01 31.84 1whd s GLN 62 CO 0.40 -0.16 -0.16 -1.17 -1.32 0.00 0.00 175.29 172.88 1whd s LEU 63 N 1.31 2.58 -0.99 2.60 0.20 -0.28 -1.63 118.68 122.47 1whd s LEU 63 Ca -0.09 -0.33 -0.01 0.00 0.69 0.00 0.00 54.13 54.39 1whd s LEU 63 Cb -0.09 -1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 1whd s LEU 63 CO -0.10 0.23 0.83 0.59 -0.29 0.00 0.00 176.35 177.61 1whd n ASN 64 N 3.05 -2.98 -2.04 3.68 5.03 0.25 -2.19 115.26 120.07 1whd n ASN 64 Ca -0.18 -0.54 -0.06 0.00 0.87 0.00 0.00 54.58 54.67 1whd n ASN 64 Cb 0.52 -4.44 -0.01 0.00 -1.02 0.00 0.00 39.78 34.84 1whd n ASN 64 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1whd n GLU 65 N -3.49 -2.12 -4.28 3.52 0.28 -1.26 -4.89 120.64 108.40 1whd n GLU 65 Ca -0.20 0.31 -0.18 0.00 -0.16 0.00 0.00 57.16 56.93 1whd n GLU 65 Cb 0.63 -4.71 -0.14 0.00 1.43 0.00 0.00 31.44 28.66 1whd n GLU 65 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1whd s ARG 66 N -4.17 0.72 0.03 3.44 0.52 -0.93 -5.12 118.95 113.43 1whd s ARG 66 Ca 0.00 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 1whd s ARG 66 Cb 0.00 -0.67 -0.06 0.00 0.52 0.00 0.00 34.95 34.74 1whd s ARG 66 CO 0.00 0.17 1.42 -1.25 0.02 0.00 0.00 175.30 175.66 1whd s PRO 67 N -0.72 4.28 -0.05 3.54 0.04 -1.26 -1.13 135.00 139.70 1whd s PRO 67 Ca 0.00 2.02 0.14 0.00 0.04 0.00 0.00 61.00 63.21 1whd s PRO 67 Cb -0.06 -3.51 0.27 0.00 0.04 0.00 0.00 34.50 31.24 1whd s PRO 67 CO 0.00 -0.56 1.12 1.33 0.04 0.00 0.00 177.00 178.93 1whd n VAL 68 N 4.52 0.66 0.23 -0.36 0.24 -1.21 -4.82 118.33 117.60 1whd n VAL 68 Ca 0.13 -1.25 0.08 0.00 -2.04 0.00 0.00 64.34 61.26 1whd n VAL 68 Cb 0.43 0.44 0.57 0.00 -1.47 0.00 0.00 33.84 33.81 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 0.53 0.00 -0.41 7.34 5.08 -1.78 -1.90 114.58 123.44 1whd h GLU 69 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1whd h GLU 69 Cb 1.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1whd h GLU 69 CO 0.04 0.18 0.01 1.58 -1.00 0.00 0.00 179.01 179.81 1whd n HIS 70 N -4.06 1.50 -3.64 4.33 -0.00 -1.26 -4.10 115.22 107.99 1whd n HIS 70 Ca -0.02 -0.83 -0.36 0.00 0.46 0.00 0.00 57.72 56.96 1whd n HIS 70 Cb 0.26 -0.42 -0.07 0.00 -0.12 0.00 0.00 29.99 29.64 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 -2.82 3.51 0.41 1.57 0.52 -0.71 -4.89 118.94 116.52 1whd s TRP 71 Ca 0.48 0.57 0.01 0.00 0.02 0.00 0.00 56.10 57.19 1whd s TRP 71 Cb 0.38 -2.22 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 1whd s TRP 71 CO 0.12 0.40 0.62 0.15 0.02 0.00 0.00 176.95 178.26 1whd s LYS 72 N -0.05 3.19 0.29 4.98 1.02 -1.26 -3.64 119.74 124.27 1whd s LYS 72 Ca 0.15 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.65 1whd s LYS 72 Cb -0.13 -2.61 0.69 0.00 -0.52 0.00 0.00 37.83 35.26 1whd s LYS 72 CO 0.04 -0.12 1.47 0.00 -0.92 0.00 0.00 175.35 175.82 1whd h VAL 74 N 0.00 1.33 -0.10 0.00 -1.51 -1.93 0.21 116.25 114.25 1whd h VAL 74 Ca 0.56 -1.62 -0.06 0.00 -1.23 0.00 0.00 66.70 64.35 1whd h VAL 74 Cb 1.13 1.77 -0.00 0.00 -2.13 0.00 0.00 31.29 32.06 1whd h VAL 74 CO -0.89 0.48 -0.16 -0.08 -1.23 0.00 0.00 177.57 175.68 1whd h GLU 75 N 0.17 0.29 0.06 5.19 4.81 0.27 -3.12 114.58 122.25 1whd h GLU 75 Ca 0.01 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1whd h GLU 75 Cb 0.87 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1whd h GLU 75 CO 0.07 0.75 -0.03 1.25 -0.73 0.00 0.00 179.01 180.32 1whd h LEU 76 N -0.15 -0.07 -0.86 1.64 5.85 -0.39 -3.30 115.31 118.03 1whd h LEU 76 Ca 0.01 0.00 0.31 0.00 0.84 0.00 0.00 57.88 59.04 1whd h LEU 76 Cb 0.73 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.68 1whd h LEU 76 CO 0.04 0.03 0.54 0.00 -0.34 0.00 0.00 178.44 178.71 1whd n ALA 77 N -2.17 0.86 0.23 1.25 0.00 0.06 0.13 120.51 120.86 1whd n ALA 77 Ca -0.01 0.58 -0.15 0.00 0.00 0.00 0.00 53.44 53.86 1whd n ALA 77 Cb 0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.80 -0.50 0.00 -0.00 -1.61 -1.18 115.15 111.05 1whd h HIS 78 Ca 0.57 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.86 1whd h HIS 78 Cb 1.79 0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 29.48 1whd h HIS 78 CO -0.00 -0.44 -0.02 1.05 -0.00 0.00 0.00 177.93 178.52 1whd h GLU 79 N -0.67 0.85 0.43 5.26 -0.00 0.10 -1.65 114.58 118.90 1whd h GLU 79 Ca -0.03 -0.25 -0.01 0.00 -0.00 0.00 0.00 59.36 59.07 1whd h GLU 79 Cb 0.59 -0.09 -0.02 0.00 -0.00 0.00 0.00 28.75 29.23 1whd h GLU 79 CO -0.02 0.86 -0.44 0.82 -0.00 0.00 0.00 179.01 180.23 1whd h ILE 80 N 0.79 0.00 0.00 -1.06 2.04 -1.00 -1.66 117.51 116.62 1whd h ILE 80 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1whd h ILE 80 Cb 0.50 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1whd h ILE 80 CO 0.02 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.20 1whd h ARG 81 N -0.87 0.00 -0.92 2.37 3.08 -1.23 -2.79 114.38 114.01 1whd h ARG 81 Ca -0.05 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1whd h ARG 81 Cb 0.76 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 1whd h ARG 81 CO -0.06 0.00 0.58 1.03 -1.07 0.00 0.00 179.97 180.45 1whd h SER 82 N 0.00 0.92 -3.60 7.04 0.87 -0.30 -3.35 113.55 115.12 1whd h SER 82 Ca 0.00 0.02 -0.68 0.00 -1.23 0.00 0.00 61.79 59.90 1whd h SER 82 Cb 0.27 -0.18 -0.37 0.00 -0.44 0.00 0.00 62.40 61.68 1whd h SER 82 CO 0.00 0.58 -0.65 0.00 -0.53 0.00 0.00 176.83 176.24 1whd h PRO 84 N 7.81 0.42 0.00 0.00 0.13 -1.78 -3.35 132.00 135.23 1whd h PRO 84 Ca -0.08 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1whd h PRO 84 Cb 1.03 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1whd h PRO 84 CO 0.60 0.78 0.00 0.43 -0.23 0.00 0.00 178.00 179.58 1whd n SER 85 N -4.00 0.00 -3.79 1.44 7.64 -1.26 -4.19 113.62 109.45 1whd n SER 85 Ca -0.02 0.74 -0.12 0.00 1.01 0.00 0.00 58.87 60.49 1whd n SER 85 Cb 0.52 -0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.40 1whd n SER 85 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1whd s GLU 86 N -1.98 0.72 -0.05 1.43 2.12 -1.26 -2.73 118.70 116.95 1whd s GLU 86 Ca 0.00 -0.46 0.02 0.00 0.36 0.00 0.00 54.97 54.89 1whd s GLU 86 Cb 0.00 0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.72 1whd s GLU 86 CO 0.00 -0.21 -0.08 0.96 -0.54 0.00 0.00 175.26 175.39 1whd s ILE 87 N -2.18 0.81 -0.32 -3.70 -4.36 -0.84 -4.87 121.20 105.74 1whd s ILE 87 Ca -0.08 -0.28 -0.10 0.00 -0.26 0.00 0.00 60.65 59.93 1whd s ILE 87 Cb -0.02 -0.78 -0.00 0.00 1.25 0.00 0.00 42.46 42.90 1whd s ILE 87 CO -0.01 0.28 0.16 -0.63 0.24 0.00 0.00 174.94 174.98 1whd s ILE 88 N 0.82 4.56 -0.05 8.37 1.01 -1.26 -2.44 121.20 132.21 1whd s ILE 88 Ca -0.12 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1whd s ILE 88 Cb -0.15 -3.36 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 1whd s ILE 88 CO 0.02 0.02 -0.16 -1.48 0.00 0.00 0.00 174.94 173.33 1whd s LEU 89 N 1.60 1.88 -0.10 2.97 2.34 -1.24 0.87 118.68 127.00 1whd s LEU 89 Ca 0.04 -0.35 -0.00 0.00 0.06 0.00 0.00 54.13 53.87 1whd s LEU 89 Cb -0.17 -0.96 -0.03 0.00 -0.56 0.00 0.00 46.19 44.47 1whd s LEU 89 CO 0.06 0.13 -0.08 -0.22 -1.06 0.00 0.00 176.35 175.18 1whd s LEU 90 N 0.16 3.06 0.23 1.48 2.96 -0.65 -2.40 118.68 123.53 1whd s LEU 90 Ca -0.06 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1whd s LEU 90 Cb -0.12 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1whd s LEU 90 CO 0.03 0.26 0.08 0.68 -1.32 0.00 0.00 176.35 176.08 1whd s VAL 91 N -0.22 0.49 -0.15 1.68 -7.23 -1.17 -1.93 120.40 111.87 1whd s VAL 91 Ca 0.03 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.12 1whd s VAL 91 Cb -0.13 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1whd s VAL 91 CO 0.03 -0.11 0.13 0.86 -0.31 0.00 0.00 175.10 175.70 1whd s TRP 92 N -3.80 3.52 0.04 2.82 -0.11 -1.16 -2.67 118.94 117.57 1whd s TRP 92 Ca 0.35 0.45 0.04 0.00 1.22 0.00 0.00 56.10 58.15 1whd s TRP 92 Cb 0.07 -2.03 -0.02 0.00 -1.50 0.00 0.00 33.47 29.99 1whd s TRP 92 CO 0.11 0.56 -0.11 0.50 -4.62 0.00 0.00 176.95 173.39 1whd s ARG 93 N -0.47 0.72 -0.23 5.86 3.52 -1.14 -4.56 118.95 122.65 1whd s ARG 93 Ca 0.12 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 1whd s ARG 93 Cb -0.12 -0.65 0.04 0.00 -1.56 0.00 0.00 34.95 32.67 1whd s ARG 93 CO 0.02 0.15 -0.14 0.08 -0.81 0.00 0.00 175.30 174.59 1whd s VAL 94 N -1.03 2.08 -0.24 7.11 1.01 -1.26 -0.53 120.40 127.54 1whd s VAL 94 Ca -0.03 -1.33 -0.12 0.00 0.00 0.00 0.00 61.98 60.49 1whd s VAL 94 Cb -0.08 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1whd s VAL 94 CO 0.01 0.19 0.25 -0.55 0.00 0.00 0.00 175.10 175.00 1whd s SER 95 N 1.20 6.20 0.00 3.32 0.15 -1.26 -4.92 113.70 118.39 1whd s SER 95 Ca -0.03 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1whd s SER 95 Cb -0.17 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1whd s SER 95 CO -0.08 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1whd n GLY 96 N 4.34 -0.37 3.65 9.45 0.00 -1.26 -4.78 105.19 116.23 1whd n GLY 96 Ca -0.12 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 1whd n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whd s PRO 97 N 0.00 4.03 0.12 1.61 0.04 -1.26 -4.97 135.00 134.57 1whd s PRO 97 Ca 0.00 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.59 1whd s PRO 97 Cb 0.00 -3.96 -0.08 0.00 0.04 0.00 0.00 34.50 30.50 1whd s PRO 97 CO 0.00 -1.01 1.39 -1.54 0.04 0.00 0.00 177.00 175.88 1whd s SER 98 N 3.45 6.82 -0.55 6.66 1.04 -1.26 -4.99 113.70 124.87 1whd s SER 98 Ca 0.69 2.34 0.04 0.00 0.48 0.00 0.00 55.95 59.50 1whd s SER 98 Cb -0.27 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.40 1whd s SER 98 CO 0.26 -0.65 0.33 -0.94 0.98 0.00 0.00 173.24 173.23 1whd s SER 99 N 1.05 4.07 0.00 7.02 1.04 -1.26 -5.26 113.70 120.37 1whd s SER 99 Ca 0.64 -3.18 0.01 0.00 0.48 0.00 0.00 55.95 53.90 1whd s SER 99 Cb -0.37 -1.38 0.01 0.00 0.10 0.00 0.00 66.02 64.37 1whd s SER 99 CO 0.31 -0.19 0.52 0.61 0.98 0.00 0.00 173.24 175.47