#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 0.37 -3.89 1.61 7.64 -1.26 -5.12 113.62 112.98 1whd n SER 2 Ca 0.00 0.32 -0.11 0.00 1.01 0.00 0.00 58.87 60.08 1whd n SER 2 Cb 0.00 0.08 -0.13 0.00 -1.01 0.00 0.00 64.21 63.15 1whd n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whd s SER 3 N -5.41 0.03 0.00 6.43 0.15 -1.26 -4.93 113.70 108.70 1whd s SER 3 Ca 0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1whd s SER 3 Cb 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1whd s SER 3 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1whd n GLY 4 N 2.56 0.69 3.68 9.45 0.00 -1.26 -5.07 105.19 115.22 1whd n GLY 4 Ca -0.16 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1whd n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1whd n SER 5 N -0.00 0.78 -4.36 1.61 3.41 -1.26 -5.04 113.62 108.76 1whd n SER 5 Ca 0.00 0.55 -0.23 0.00 -0.26 0.00 0.00 58.87 58.93 1whd n SER 5 Cb 0.09 -1.49 -0.11 0.00 -0.26 0.00 0.00 64.21 62.44 1whd n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1whd s SER 6 N -2.18 2.92 0.15 4.04 0.15 -1.26 -5.16 113.70 112.36 1whd s SER 6 Ca 0.72 -0.88 0.01 0.00 0.70 0.00 0.00 55.95 56.50 1whd s SER 6 Cb -0.28 -0.19 0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1whd s SER 6 CO 0.53 0.01 0.08 0.61 1.20 0.00 0.00 173.24 175.67 1whd n GLY 7 N 0.22 3.24 3.70 9.45 0.00 -1.26 -5.16 105.19 115.38 1whd n GLY 7 Ca -0.12 -2.22 -0.26 0.00 0.00 0.00 0.00 46.02 43.42 1whd n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1whd s GLU 8 N -2.60 2.13 -0.12 1.61 -1.05 -1.26 -5.07 118.70 112.34 1whd s GLU 8 Ca 0.06 -1.95 -0.25 0.00 -0.15 0.00 0.00 54.97 52.69 1whd s GLU 8 Cb -0.01 -1.85 -0.27 0.00 -0.44 0.00 0.00 34.13 31.56 1whd s GLU 8 CO 0.04 -0.10 0.71 0.78 0.95 0.00 0.00 175.26 177.64 1whd h GLY 9 N 1.55 0.13 -6.04 -3.83 0.00 -2.10 -3.45 103.07 89.33 1whd h GLY 9 Ca -0.43 -0.32 -0.58 0.00 0.00 0.00 0.00 47.33 45.99 1whd h GLY 9 CO 0.74 0.28 1.29 1.34 0.00 0.00 0.00 176.54 180.19 1whd n ASP 10 N -4.38 3.58 -2.82 0.19 2.03 -1.26 -4.97 116.55 108.93 1whd n ASP 10 Ca -0.16 0.69 -0.09 0.00 0.52 0.00 0.00 54.79 55.75 1whd n ASP 10 Cb 0.65 -1.47 0.07 0.00 -0.72 0.00 0.00 41.12 39.65 1whd n ASP 10 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1whd n PRO 11 N 7.71 -1.65 -3.99 -0.67 -0.04 -1.26 -5.03 135.00 130.07 1whd n PRO 11 Ca 0.25 -0.51 -0.32 0.00 -0.04 0.00 0.00 63.50 62.88 1whd n PRO 11 Cb 0.38 -0.48 -0.14 0.00 -0.04 0.00 0.00 33.50 33.21 1whd n PRO 11 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1whd s GLU 12 N -3.73 1.77 -0.14 0.54 2.56 -1.26 -4.97 118.70 113.47 1whd s GLU 12 Ca 0.21 -1.73 -0.08 0.00 0.00 0.00 0.00 54.97 53.37 1whd s GLU 12 Cb -0.02 -3.20 -0.03 0.00 2.00 0.00 0.00 34.13 32.88 1whd s GLU 12 CO 0.16 -0.87 -0.14 -0.91 -0.56 0.00 0.00 175.26 172.94 1whd h ASN 13 N 7.73 0.00 -2.54 -1.70 2.35 -1.96 -3.48 115.58 115.99 1whd h ASN 13 Ca -0.09 -0.01 -0.57 0.00 -0.55 0.00 0.00 56.30 55.08 1whd h ASN 13 Cb 1.03 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.27 1whd h ASN 13 CO 0.54 0.73 -0.54 -0.83 -1.65 0.00 0.00 177.43 175.68 1whd s GLY 14 N -4.16 2.56 0.01 2.83 0.00 -1.26 -0.79 107.32 106.51 1whd s GLY 14 Ca -0.13 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 43.24 1whd s GLY 14 CO 0.20 -1.91 0.04 1.85 0.00 0.00 0.00 173.10 173.28 1whd s GLU 15 N -3.79 0.36 -0.21 2.90 2.56 0.63 -4.94 118.70 116.21 1whd s GLU 15 Ca 0.24 -0.48 -0.29 0.00 0.00 0.00 0.00 54.97 54.43 1whd s GLU 15 Cb 0.04 0.14 0.01 0.00 2.00 0.00 0.00 34.13 36.32 1whd s GLU 15 CO 0.13 -0.07 1.03 0.15 -0.56 0.00 0.00 175.26 175.93 1whd s LYS 16 N -1.34 4.29 0.04 4.30 1.02 -1.26 -3.04 119.74 123.76 1whd s LYS 16 Ca -0.14 1.36 0.05 0.00 0.02 0.00 0.00 55.97 57.26 1whd s LYS 16 Cb -0.08 -3.62 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 1whd s LYS 16 CO 0.00 -0.57 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.20 1whd s LEU 17 N 2.99 2.19 0.04 3.17 1.43 -1.18 -5.05 118.68 122.27 1whd s LEU 17 Ca 0.45 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1whd s LEU 17 Cb -0.16 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1whd s LEU 17 CO 0.08 0.03 0.08 -1.58 0.23 0.00 0.00 176.35 175.19 1whd s GLN 18 N -1.23 2.97 -0.03 1.70 0.74 -1.26 -2.84 119.66 119.70 1whd s GLN 18 Ca 0.02 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.84 1whd s GLN 18 Cb -0.08 -2.78 0.02 0.00 1.10 0.00 0.00 33.01 31.26 1whd s GLN 18 CO 0.01 0.60 -0.04 0.42 -0.55 0.00 0.00 175.29 175.73 1whd s ILE 19 N -1.31 0.48 -0.27 -2.34 -1.09 -1.01 -5.03 121.20 110.63 1whd s ILE 19 Ca 0.27 -0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.47 1whd s ILE 19 Cb -0.12 -0.49 -0.03 0.00 -1.58 0.00 0.00 42.46 40.24 1whd s ILE 19 CO 0.19 0.19 0.13 -0.89 -1.23 0.00 0.00 174.94 173.33 1whd s THR 20 N 0.66 4.70 -0.07 2.92 2.01 -1.26 -2.74 115.64 121.86 1whd s THR 20 Ca -0.08 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 1whd s THR 20 Cb -0.12 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1whd s THR 20 CO -0.00 0.24 0.12 -0.63 -0.69 0.00 0.00 174.62 173.67 1whd s ILE 21 N 1.66 5.20 -0.24 1.82 1.01 -1.05 -4.81 121.20 124.80 1whd s ILE 21 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 1whd s ILE 21 Cb -0.16 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1whd s ILE 21 CO 0.07 0.49 0.03 -0.13 0.00 0.00 0.00 174.94 175.40 1whd s ARG 22 N -1.37 3.56 -0.65 2.79 0.52 -1.26 -2.99 118.95 119.55 1whd s ARG 22 Ca 0.19 -0.53 -0.27 0.00 -0.52 0.00 0.00 55.73 54.61 1whd s ARG 22 Cb -0.12 -3.20 -0.00 0.00 0.52 0.00 0.00 34.95 32.14 1whd s ARG 22 CO 0.09 -0.17 1.67 0.50 0.02 0.00 0.00 175.30 177.41 1whd s ARG 23 N 1.52 2.82 1.16 3.54 3.52 -1.10 -4.64 118.95 125.76 1whd s ARG 23 Ca 0.06 0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.84 1whd s ARG 23 Cb -0.15 -4.32 0.20 0.00 -1.56 0.00 0.00 34.95 29.12 1whd s ARG 23 CO 0.01 -2.53 0.37 0.41 -0.81 0.00 0.00 175.30 172.75 1whd n GLY 24 N 5.59 -2.68 0.23 8.12 0.00 -0.97 -4.70 105.19 110.78 1whd n GLY 24 Ca 0.15 -1.01 0.23 0.00 0.00 0.00 0.00 46.02 45.40 1whd n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1whd n LYS 25 N -3.04 -0.04 -3.30 1.61 2.85 -1.26 -3.77 118.16 111.20 1whd n LYS 25 Ca 0.04 1.00 -0.06 0.00 -1.05 0.00 0.00 58.31 58.24 1whd n LYS 25 Cb 0.54 -1.80 -0.06 0.00 -0.65 0.00 0.00 35.03 33.05 1whd n LYS 25 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1whd s ASP 26 N -4.65 -0.13 0.00 -5.58 2.15 -1.26 -5.12 116.67 102.08 1whd s ASP 26 Ca -0.07 0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1whd s ASP 26 Cb 0.25 1.36 0.00 0.00 -0.30 0.00 0.00 42.92 44.23 1whd s ASP 26 CO 0.57 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.88 1whd n GLY 27 N 5.38 0.69 0.13 2.66 0.00 -1.25 -4.93 105.19 107.87 1whd n GLY 27 Ca -0.03 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.18 0.00 1.61 -1.00 -1.87 -2.56 116.94 112.93 1whd h PHE 28 Ca 0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1whd h PHE 28 Cb 0.00 0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1whd h PHE 28 CO 0.00 0.27 0.00 0.41 -1.61 0.00 0.00 178.31 177.38 1whd n GLY 29 N 0.59 3.20 3.83 -1.45 0.00 -1.26 -4.22 105.19 105.87 1whd n GLY 29 Ca -0.08 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.12 3.76 -0.10 1.61 -0.71 -1.26 -3.25 117.98 117.91 1whd s PHE 30 Ca 0.00 1.13 0.00 0.00 -1.04 0.00 0.00 56.93 57.02 1whd s PHE 30 Cb 0.00 -2.39 -0.02 0.00 -1.21 0.00 0.00 43.02 39.40 1whd s PHE 30 CO 0.00 0.60 -0.10 0.99 -1.34 0.00 0.00 175.22 175.37 1whd s THR 31 N -1.13 3.33 -0.10 -4.49 2.01 -0.53 -5.00 115.64 109.74 1whd s THR 31 Ca 0.27 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1whd s THR 31 Cb -0.18 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 70.00 1whd s THR 31 CO 0.16 0.55 0.22 0.27 -0.69 0.00 0.00 174.62 175.14 1whd s ILE 32 N -0.17 -0.20 -0.14 1.82 -4.36 -1.26 -1.59 121.20 115.30 1whd s ILE 32 Ca 0.01 0.23 -0.06 0.00 -0.26 0.00 0.00 60.65 60.57 1whd s ILE 32 Cb -0.13 -0.36 0.07 0.00 1.25 0.00 0.00 42.46 43.28 1whd s ILE 32 CO 0.03 0.10 0.30 0.00 0.24 0.00 0.00 174.94 175.61 1whd s ASP 35 N -2.98 3.55 -0.26 0.00 1.47 -1.26 -1.93 116.67 115.26 1whd s ASP 35 Ca 0.21 -0.38 -0.27 0.00 1.18 0.00 0.00 52.55 53.28 1whd s ASP 35 Cb -0.01 -1.03 -0.12 0.00 -0.34 0.00 0.00 42.92 41.43 1whd s ASP 35 CO 0.00 0.25 0.91 -1.54 0.68 0.00 0.00 175.17 175.47 1whd n SER 36 N 2.92 0.64 -4.77 2.11 3.41 -0.99 -4.05 113.62 112.88 1whd n SER 36 Ca -0.18 0.70 -0.35 0.00 -0.26 0.00 0.00 58.87 58.78 1whd n SER 36 Cb 0.52 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.58 3.32 0.14 4.33 0.04 -1.25 -4.98 135.00 138.18 1whd s PRO 37 Ca 0.61 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.96 1whd s PRO 37 Cb -0.87 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.60 1whd s PRO 37 CO 0.47 -0.87 0.91 0.08 0.04 0.00 0.00 177.00 177.63 1whd s VAL 38 N -1.81 4.40 0.47 -0.36 1.01 -1.26 -4.93 120.40 117.92 1whd s VAL 38 Ca 0.72 1.99 0.02 0.00 0.00 0.00 0.00 61.98 64.71 1whd s VAL 38 Cb -0.24 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 1whd s VAL 38 CO 0.28 0.39 0.05 -0.13 0.00 0.00 0.00 175.10 175.69 1whd s ARG 39 N -0.43 2.08 0.02 2.72 0.52 -1.26 -1.42 118.95 121.18 1whd s ARG 39 Ca 0.43 -2.31 -0.03 0.00 -0.52 0.00 0.00 55.73 53.30 1whd s ARG 39 Cb -0.24 -1.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.01 1whd s ARG 39 CO 0.29 -0.39 0.23 0.08 0.02 0.00 0.00 175.30 175.53 1whd s VAL 40 N -3.00 5.37 -0.02 3.52 1.01 -0.63 -3.85 120.40 122.80 1whd s VAL 40 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1whd s VAL 40 Cb 0.02 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1whd s VAL 40 CO 0.08 0.27 -0.04 1.67 0.00 0.00 0.00 175.10 177.07 1whd n GLN 41 N 0.76 0.07 -3.63 2.72 0.00 -0.62 -4.17 117.38 112.50 1whd n GLN 41 Ca -0.09 0.12 -0.15 0.00 -0.00 0.00 0.00 57.00 56.88 1whd n GLN 41 Cb 0.52 -0.72 -0.08 0.00 0.00 0.00 0.00 30.24 29.97 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 -2.98 -1.53 -0.17 1.69 0.00 -0.89 -4.67 121.76 113.22 1whd s ALA 42 Ca -0.03 1.50 -0.08 0.00 0.00 0.00 0.00 51.96 53.35 1whd s ALA 42 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1whd s ALA 42 CO 0.05 -0.31 0.11 0.08 0.00 0.00 0.00 175.76 175.70 1whd s VAL 43 N -0.23 5.28 -0.58 0.00 1.01 -1.26 -1.45 120.40 123.18 1whd s VAL 43 Ca -0.04 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1whd s VAL 43 Cb -0.03 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.02 1whd s VAL 43 CO 0.04 0.51 1.13 1.51 0.00 0.00 0.00 175.10 178.28 1whd s ASP 44 N -0.12 6.41 0.16 3.32 -4.77 -1.20 -4.98 116.67 115.50 1whd s ASP 44 Ca 0.09 -0.02 -0.34 0.00 -3.30 0.00 0.00 52.55 48.98 1whd s ASP 44 Cb -0.12 -2.52 -0.14 0.00 -1.09 0.00 0.00 42.92 39.05 1whd s ASP 44 CO 0.00 -1.42 1.50 -1.54 0.70 0.00 0.00 175.17 174.41 1whd n SER 45 N 8.21 2.74 0.00 2.11 3.41 -1.26 -1.02 113.62 127.80 1whd n SER 45 Ca 0.07 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1whd n SER 45 Cb 0.49 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1whd n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whd n GLY 46 N 3.03 3.07 3.27 5.00 0.00 -1.26 -5.04 105.19 113.25 1whd n GLY 46 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.39 1.40 0.31 -0.02 0.00 -0.19 -4.74 107.32 101.69 1whd s GLY 47 Ca 0.00 -0.75 0.09 0.00 0.00 0.00 0.00 44.72 44.06 1whd s GLY 47 CO 0.00 0.26 1.70 -0.56 0.00 0.00 0.00 173.10 174.50 1whd h PRO 48 N -3.50 0.09 0.42 2.90 0.13 -1.83 -2.80 132.00 127.41 1whd h PRO 48 Ca -0.44 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1whd h PRO 48 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1whd h PRO 48 CO 0.29 0.55 -0.20 0.00 -0.23 0.00 0.00 178.00 178.41 1whd h ALA 49 N 1.44 -0.56 0.11 -0.56 0.00 -1.86 -2.62 119.26 115.20 1whd h ALA 49 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1whd h ALA 49 Cb 0.88 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1whd h ALA 49 CO 0.07 -0.65 -0.27 1.49 0.00 0.00 0.00 179.25 179.89 1whd h GLU 50 N -0.89 -0.45 -0.68 0.00 4.81 -1.80 -2.10 114.58 113.47 1whd h GLU 50 Ca -0.06 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 1whd h GLU 50 Cb 0.56 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 29.91 1whd h GLU 50 CO 0.09 -0.30 -0.18 0.00 -0.73 0.00 0.00 179.01 177.89 1whd h ARG 51 N -0.47 -0.01 -0.68 1.92 3.08 -1.57 0.12 114.38 116.77 1whd h ARG 51 Ca 0.03 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.16 1whd h ARG 51 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 1whd h ARG 51 CO -0.16 -0.01 0.36 0.00 -1.07 0.00 0.00 179.97 179.09 1whd h ALA 52 N 1.65 0.92 0.00 0.04 0.00 -1.05 -3.46 119.26 117.36 1whd h ALA 52 Ca 0.32 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1whd h ALA 52 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1whd h ALA 52 CO -0.70 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 178.96 1whd n GLY 53 N -1.29 0.39 3.77 0.00 0.00 0.41 -4.97 105.19 103.50 1whd n GLY 53 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 4.41 -0.05 0.99 0.20 -0.87 -5.00 118.68 118.36 1whd s LEU 54 Ca 0.00 1.10 0.04 0.00 0.69 0.00 0.00 54.13 55.95 1whd s LEU 54 Cb 0.00 -2.85 -0.03 0.00 -0.43 0.00 0.00 46.19 42.89 1whd s LEU 54 CO 0.00 0.13 -0.15 -1.58 -0.29 0.00 0.00 176.35 174.46 1whd s GLN 55 N -0.24 2.50 0.73 1.98 0.74 -1.26 -4.60 119.66 119.51 1whd s GLN 55 Ca 0.29 -0.70 -0.11 0.00 0.05 0.00 0.00 55.36 54.89 1whd s GLN 55 Cb -0.18 -2.37 0.03 0.00 1.10 0.00 0.00 33.01 31.59 1whd s GLN 55 CO 0.16 0.62 1.08 1.14 -0.55 0.00 0.00 175.29 177.73 1whd s GLN 56 N -0.72 2.61 -1.17 1.67 -2.07 -1.26 -3.89 119.66 114.84 1whd s GLN 56 Ca 0.11 0.78 -0.00 0.00 -1.82 0.00 0.00 55.36 54.42 1whd s GLN 56 Cb -0.11 -1.97 0.00 0.00 -1.09 0.00 0.00 33.01 29.85 1whd s GLN 56 CO 0.00 -1.28 0.05 1.28 -1.32 0.00 0.00 175.29 174.03 1whd n LEU 57 N -3.23 -1.72 -4.87 2.60 4.77 -1.26 -5.01 117.00 108.28 1whd n LEU 57 Ca 0.07 -0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1whd n LEU 57 Cb 0.55 -2.12 -0.05 0.00 -2.33 0.00 0.00 43.42 39.47 1whd n LEU 57 CO 0.56 -0.10 -0.18 -1.81 -1.33 0.00 0.00 177.39 174.53 1whd s ASP 58 N -2.43 6.07 -0.24 -1.43 1.11 -1.25 -4.87 116.67 113.63 1whd s ASP 58 Ca 0.03 0.16 -0.10 0.00 0.18 0.00 0.00 52.55 52.81 1whd s ASP 58 Cb -0.01 -1.79 -0.05 0.00 1.07 0.00 0.00 42.92 42.14 1whd s ASP 58 CO 0.03 0.15 0.15 -0.89 1.18 0.00 0.00 175.17 175.80 1whd s THR 59 N -1.51 5.26 -0.05 -1.27 2.01 -1.26 -1.60 115.64 117.21 1whd s THR 59 Ca 0.33 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1whd s THR 59 Cb -0.12 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1whd s THR 59 CO 0.26 0.34 1.38 -0.69 -0.69 0.00 0.00 174.62 175.22 1whd s VAL 60 N 1.14 3.89 -0.18 3.82 1.01 -0.51 -3.08 120.40 126.49 1whd s VAL 60 Ca 0.07 1.20 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 1whd s VAL 60 Cb -0.14 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 1whd s VAL 60 CO 0.05 -0.04 -0.22 0.18 0.00 0.00 0.00 175.10 175.07 1whd n LEU 61 N 5.86 1.89 -3.68 3.92 4.77 -0.35 -4.58 117.00 124.82 1whd n LEU 61 Ca 0.14 0.45 -0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1whd n LEU 61 Cb 0.44 -0.83 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 1whd n LEU 61 CO 0.58 -0.16 0.19 0.00 -1.33 0.00 0.00 177.39 176.67 1whd s GLN 62 N -2.55 0.72 -0.01 3.23 -2.07 -1.20 -3.60 119.66 114.18 1whd s GLN 62 Ca -0.25 0.31 0.07 0.00 -1.82 0.00 0.00 55.36 53.67 1whd s GLN 62 Cb 0.05 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1whd s GLN 62 CO 0.38 -0.17 -0.23 -1.17 -1.32 0.00 0.00 175.29 172.78 1whd s LEU 63 N -0.57 2.23 -1.46 2.60 0.20 0.20 -1.11 118.68 120.77 1whd s LEU 63 Ca -0.07 -0.43 -0.12 0.00 0.69 0.00 0.00 54.13 54.19 1whd s LEU 63 Cb -0.03 -1.38 0.09 0.00 -0.43 0.00 0.00 46.19 44.44 1whd s LEU 63 CO 0.04 0.31 0.69 0.59 -0.29 0.00 0.00 176.35 177.70 1whd n ASN 64 N 2.26 -4.05 -1.59 3.68 5.03 -0.93 0.77 115.26 120.43 1whd n ASN 64 Ca -0.16 -0.62 -0.17 0.00 0.87 0.00 0.00 54.58 54.50 1whd n ASN 64 Cb 0.51 -3.30 -0.04 0.00 -1.02 0.00 0.00 39.78 35.94 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 -4.14 -1.24 -4.76 3.52 1.02 -1.26 -4.99 120.64 108.79 1whd n GLU 65 Ca 0.02 0.94 -0.26 0.00 -0.02 0.00 0.00 57.16 57.84 1whd n GLU 65 Cb 0.53 -5.25 -0.15 0.00 -0.02 0.00 0.00 31.44 26.55 1whd n GLU 65 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1whd s ARG 66 N -4.14 1.47 -0.04 3.49 3.52 0.23 -5.11 118.95 118.37 1whd s ARG 66 Ca 0.00 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 54.44 1whd s ARG 66 Cb 0.00 -1.52 -0.05 0.00 -1.56 0.00 0.00 34.95 31.82 1whd s ARG 66 CO 0.00 0.40 1.48 -1.25 -0.81 0.00 0.00 175.30 175.12 1whd s PRO 67 N -0.92 4.24 -0.05 5.12 0.04 -1.26 -0.63 135.00 141.53 1whd s PRO 67 Ca 0.07 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.24 1whd s PRO 67 Cb -0.08 -3.74 0.20 0.00 0.04 0.00 0.00 34.50 30.92 1whd s PRO 67 CO 0.01 -0.70 1.09 1.33 0.04 0.00 0.00 177.00 178.78 1whd n VAL 68 N 5.04 0.59 0.21 -0.36 0.24 -1.24 -4.82 118.33 117.99 1whd n VAL 68 Ca 0.15 -1.02 0.04 0.00 -2.04 0.00 0.00 64.34 61.47 1whd n VAL 68 Cb 0.43 0.40 0.44 0.00 -1.47 0.00 0.00 33.84 33.64 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 0.35 0.00 -0.83 7.34 5.08 -1.83 -2.26 114.58 122.44 1whd h GLU 69 Ca -0.06 -0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.93 1whd h GLU 69 Cb 1.40 -0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.44 1whd h GLU 69 CO 0.02 0.27 0.43 0.72 -1.00 0.00 0.00 179.01 179.46 1whd n HIS 70 N -4.22 2.61 -4.05 4.33 8.25 -1.26 -3.81 115.22 117.07 1whd n HIS 70 Ca -0.02 -1.58 -0.25 0.00 -0.26 0.00 0.00 57.72 55.61 1whd n HIS 70 Cb 0.32 -0.80 -0.04 0.00 1.12 0.00 0.00 29.99 30.58 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1whd s TRP 71 N -3.18 3.25 0.29 4.41 0.52 -0.85 -4.87 118.94 118.50 1whd s TRP 71 Ca 0.55 -0.00 0.09 0.00 0.02 0.00 0.00 56.10 56.76 1whd s TRP 71 Cb 0.46 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 31.20 1whd s TRP 71 CO 0.11 0.51 0.02 0.15 0.02 0.00 0.00 176.95 177.76 1whd s LYS 72 N -3.32 2.28 0.21 4.98 1.02 -1.26 -2.36 119.74 121.28 1whd s LYS 72 Ca 0.32 -1.48 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 1whd s LYS 72 Cb -0.10 -2.13 0.45 0.00 -0.52 0.00 0.00 37.83 35.53 1whd s LYS 72 CO 0.25 0.29 1.08 0.00 -0.92 0.00 0.00 175.35 176.05 1whd n VAL 74 N -5.00 0.00 -0.29 0.00 0.31 -1.26 0.20 118.33 112.29 1whd n VAL 74 Ca 0.14 1.15 0.00 0.00 -0.01 0.00 0.00 64.34 65.62 1whd n VAL 74 Cb 0.47 -2.09 0.05 0.00 -0.91 0.00 0.00 33.84 31.35 1whd n VAL 74 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1whd n GLU 75 N -1.37 -0.16 0.35 5.55 -0.58 -0.52 -0.27 120.64 123.64 1whd n GLU 75 Ca 0.00 1.18 -0.17 0.00 -0.42 0.00 0.00 57.16 57.76 1whd n GLU 75 Cb 0.00 -1.76 -0.08 0.00 -0.57 0.00 0.00 31.44 29.02 1whd n GLU 75 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1whd h LEU 76 N 0.00 -0.75 -1.52 -4.62 5.85 -1.06 -2.53 115.31 110.68 1whd h LEU 76 Ca 0.29 -0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.27 1whd h LEU 76 Cb 0.48 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1whd h LEU 76 CO -0.77 -0.46 0.97 0.00 -0.34 0.00 0.00 178.44 177.84 1whd h ALA 77 N -0.76 2.80 -0.55 1.25 0.00 0.29 0.90 119.26 123.20 1whd h ALA 77 Ca -0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1whd h ALA 77 Cb 0.71 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1whd h ALA 77 CO 0.15 -1.45 -0.06 1.25 0.00 0.00 0.00 179.25 179.14 1whd h HIS 78 N 0.00 1.09 -0.28 0.00 -0.00 -0.55 -0.91 115.15 114.50 1whd h HIS 78 Ca 0.45 -0.20 -0.11 0.00 -0.00 0.00 0.00 60.37 60.51 1whd h HIS 78 Cb 2.38 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 29.50 1whd h HIS 78 CO 0.00 1.00 -0.26 0.93 -0.00 0.00 0.00 177.93 179.60 1whd h GLU 79 N 0.89 0.66 -0.42 5.26 4.39 0.79 0.11 114.58 126.26 1whd h GLU 79 Ca 0.15 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1whd h GLU 79 Cb 0.61 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1whd h GLU 79 CO 0.04 0.95 0.11 0.82 -1.16 0.00 0.00 179.01 179.77 1whd h ILE 80 N 0.40 1.23 0.00 3.13 5.03 -1.42 -2.83 117.51 123.04 1whd h ILE 80 Ca 0.05 -0.78 -0.12 0.00 -0.12 0.00 0.00 64.86 63.89 1whd h ILE 80 Cb 0.82 0.93 -0.02 0.00 -3.03 0.00 0.00 36.82 35.53 1whd h ILE 80 CO 0.07 0.27 -0.59 0.08 -0.68 0.00 0.00 178.15 177.30 1whd h ARG 81 N 0.54 0.00 -0.43 2.37 0.11 -1.17 -3.25 114.38 112.56 1whd h ARG 81 Ca 0.13 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.30 1whd h ARG 81 Cb 0.30 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.30 1whd h ARG 81 CO -0.00 0.59 -0.08 0.77 0.10 0.00 0.00 179.97 181.35 1whd h SER 82 N 0.00 -0.35 -3.25 0.08 0.02 -0.52 -3.33 113.55 106.20 1whd h SER 82 Ca -0.01 0.12 -0.73 0.00 -0.84 0.00 0.00 61.79 60.33 1whd h SER 82 Cb 1.14 0.25 -0.28 0.00 0.14 0.00 0.00 62.40 63.65 1whd h SER 82 CO 0.08 -0.12 -0.35 0.00 -1.14 0.00 0.00 176.83 175.29 1whd n PRO 84 N 5.00 0.01 0.00 0.00 -0.04 -1.25 -3.87 135.00 134.85 1whd n PRO 84 Ca -0.10 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1whd n PRO 84 Cb 0.41 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1whd n PRO 84 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1whd n SER 85 N -1.53 0.00 -3.77 3.54 3.41 -1.26 -4.53 113.62 109.48 1whd n SER 85 Ca 0.03 0.24 -0.11 0.00 -0.26 0.00 0.00 58.87 58.77 1whd n SER 85 Cb 0.17 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 1whd n SER 85 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1whd s GLU 86 N -0.49 0.80 0.02 4.33 2.02 -1.25 -2.72 118.70 121.40 1whd s GLU 86 Ca 0.00 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1whd s GLU 86 Cb 0.00 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.56 1whd s GLU 86 CO 0.00 -0.25 -0.04 0.96 0.02 0.00 0.00 175.26 175.95 1whd s ILE 87 N -2.58 0.21 -0.11 -1.63 -5.25 -1.16 -4.84 121.20 105.84 1whd s ILE 87 Ca -0.05 -0.75 -0.00 0.00 -0.99 0.00 0.00 60.65 58.86 1whd s ILE 87 Cb -0.01 -0.30 -0.02 0.00 2.95 0.00 0.00 42.46 45.08 1whd s ILE 87 CO -0.04 -0.35 -0.11 -0.63 -1.79 0.00 0.00 174.94 172.03 1whd s ILE 88 N -1.11 3.30 -0.03 8.37 -1.09 -1.26 -2.53 121.20 126.85 1whd s ILE 88 Ca -0.11 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 1whd s ILE 88 Cb -0.08 -2.38 0.02 0.00 -1.58 0.00 0.00 42.46 38.44 1whd s ILE 88 CO -0.00 0.54 -0.01 -1.48 -1.23 0.00 0.00 174.94 172.75 1whd s LEU 89 N 0.02 1.37 -0.16 2.97 2.34 -1.11 -2.19 118.68 121.92 1whd s LEU 89 Ca -0.03 -0.05 -0.05 0.00 0.06 0.00 0.00 54.13 54.06 1whd s LEU 89 Cb -0.14 -0.24 -0.04 0.00 -0.56 0.00 0.00 46.19 45.22 1whd s LEU 89 CO 0.04 -0.06 0.02 -0.22 -1.06 0.00 0.00 176.35 175.07 1whd s LEU 90 N 0.76 3.62 0.23 1.48 2.96 -0.27 -2.39 118.68 125.07 1whd s LEU 90 Ca -0.08 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1whd s LEU 90 Cb -0.11 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1whd s LEU 90 CO -0.01 0.21 0.02 0.68 -1.32 0.00 0.00 176.35 175.93 1whd s VAL 91 N 0.14 0.91 -0.17 1.68 -7.23 -1.13 -1.21 120.40 113.39 1whd s VAL 91 Ca 0.03 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.09 1whd s VAL 91 Cb -0.13 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1whd s VAL 91 CO 0.01 -0.28 0.14 0.86 -0.31 0.00 0.00 175.10 175.52 1whd s TRP 92 N -3.50 3.48 -0.02 2.82 -0.11 -1.18 -3.11 118.94 117.33 1whd s TRP 92 Ca 0.30 0.41 0.04 0.00 1.22 0.00 0.00 56.10 58.07 1whd s TRP 92 Cb 0.06 -2.08 -0.01 0.00 -1.50 0.00 0.00 33.47 29.94 1whd s TRP 92 CO 0.09 0.46 -0.13 0.50 -4.62 0.00 0.00 176.95 173.24 1whd s ARG 93 N -0.16 1.24 0.02 5.86 3.52 -1.17 -4.48 118.95 123.78 1whd s ARG 93 Ca 0.11 -0.48 0.06 0.00 -0.13 0.00 0.00 55.73 55.29 1whd s ARG 93 Cb -0.11 -1.15 -0.03 0.00 -1.56 0.00 0.00 34.95 32.09 1whd s ARG 93 CO 0.00 0.24 -0.15 0.54 -0.81 0.00 0.00 175.30 175.12 1whd s VAL 94 N -0.12 2.98 -0.47 7.11 0.11 -1.26 -0.27 120.40 128.48 1whd s VAL 94 Ca 0.01 -1.05 -0.12 0.00 -2.93 0.00 0.00 61.98 57.89 1whd s VAL 94 Cb -0.07 -2.25 0.09 0.00 -1.53 0.00 0.00 36.38 32.62 1whd s VAL 94 CO 0.00 0.38 0.36 -0.44 -3.33 0.00 0.00 175.10 172.08 1whd s SER 95 N -1.34 5.91 0.00 3.54 0.01 0.03 -4.92 113.70 116.93 1whd s SER 95 Ca 0.15 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.83 1whd s SER 95 Cb -0.11 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1whd s SER 95 CO 0.05 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.65 1whd n GLY 96 N 5.07 5.35 3.58 3.44 0.00 -1.26 -4.89 105.19 116.47 1whd n GLY 96 Ca -0.11 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 1.99 3.15 -0.12 1.61 0.04 -1.26 -4.88 135.00 135.53 1whd s PRO 97 Ca 0.00 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 61.83 1whd s PRO 97 Cb 0.00 -4.23 -0.25 0.00 0.04 0.00 0.00 34.50 30.06 1whd s PRO 97 CO 0.00 -2.09 0.85 0.77 0.04 0.00 0.00 177.00 176.57 1whd h SER 98 N 13.16 0.01 -0.89 6.66 0.02 -2.02 -3.43 113.55 127.07 1whd h SER 98 Ca -0.30 -0.92 -0.46 0.00 -0.84 0.00 0.00 61.79 59.27 1whd h SER 98 Cb 1.16 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1whd h SER 98 CO 1.10 0.93 1.64 -0.24 -1.14 0.00 0.00 176.83 179.12 1whd n SER 99 N -4.63 1.41 0.00 3.07 2.88 -1.26 -5.33 113.62 109.75 1whd n SER 99 Ca -0.10 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1whd n SER 99 Cb 0.45 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1whd n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42