#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sko h SER 2 N 0.00 0.00 -0.06 1.61 0.87 -2.05 -2.60 113.55 111.32 1sko h SER 2 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1sko h SER 2 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1sko h SER 2 CO 0.00 0.82 0.01 0.00 -0.53 0.00 0.00 176.83 177.13 1sko h ALA 3 N 1.18 0.08 -0.73 6.23 0.00 -2.01 -3.17 119.26 120.84 1sko h ALA 3 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1sko h ALA 3 Cb 1.49 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1sko h ALA 3 CO 0.11 -0.27 0.40 -0.44 0.00 0.00 0.00 179.25 179.04 1sko h ASP 4 N -0.15 0.90 0.48 0.00 5.19 -1.98 -1.49 116.42 119.38 1sko h ASP 4 Ca 0.02 -0.07 -0.27 0.00 -0.62 0.00 0.00 57.03 56.09 1sko h ASP 4 Cb 0.28 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.57 1sko h ASP 4 CO 0.00 0.73 -1.18 -0.78 -3.12 0.00 0.00 179.24 174.89 1sko h ASP 5 N 1.02 0.53 -0.19 6.45 1.82 -1.60 -1.90 116.42 122.54 1sko h ASP 5 Ca 0.26 -0.52 0.04 0.00 -0.39 0.00 0.00 57.03 56.42 1sko h ASP 5 Cb 0.03 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 39.83 1sko h ASP 5 CO -0.04 1.37 -0.06 0.25 -1.61 0.00 0.00 179.24 179.15 1sko h LEU 6 N 0.14 -0.21 -0.43 2.28 6.46 -1.50 0.24 115.31 122.28 1sko h LEU 6 Ca -0.13 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1sko h LEU 6 Cb 1.87 0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 41.86 1sko h LEU 6 CO 0.20 -0.08 -0.51 0.11 -0.62 0.00 0.00 178.44 177.54 1sko h LYS 7 N -0.02 -0.31 -0.41 1.25 1.57 -1.30 0.39 116.57 117.75 1sko h LYS 7 Ca 0.10 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1sko h LYS 7 Cb 0.17 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1sko h LYS 7 CO -0.21 -0.21 0.11 0.00 -0.57 0.00 0.00 179.45 178.57 1sko h ARG 8 N -0.32 0.60 -0.14 3.15 3.08 -1.00 -1.78 114.38 117.97 1sko h ARG 8 Ca 0.07 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1sko h ARG 8 Cb 0.52 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1sko h ARG 8 CO -0.58 0.55 -0.03 0.35 -1.07 0.00 0.00 179.97 179.19 1sko h PHE 9 N 0.59 0.30 -0.84 3.04 3.57 0.10 -2.95 116.94 120.75 1sko h PHE 9 Ca 0.14 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1sko h PHE 9 Cb 0.21 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 1sko h PHE 9 CO 0.01 0.55 0.55 -0.07 -2.23 0.00 0.00 178.31 177.11 1sko h LEU 10 N -0.04 0.79 -0.58 0.59 3.38 0.18 -2.22 115.31 117.42 1sko h LEU 10 Ca 0.04 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1sko h LEU 10 Cb 0.45 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1sko h LEU 10 CO 0.01 0.50 0.21 1.88 0.09 0.00 0.00 178.44 181.13 1sko h TYR 11 N 0.89 0.36 0.00 1.13 -1.99 -1.22 -2.01 116.97 114.14 1sko h TYR 11 Ca 0.37 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.13 1sko h TYR 11 Cb 0.28 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 38.94 1sko h TYR 11 CO -0.00 0.09 0.00 0.87 -0.00 0.00 0.00 178.16 179.12 1sko h LYS 12 N 0.38 0.00 0.00 4.88 1.57 -1.24 -2.68 116.57 119.48 1sko h LYS 12 Ca 0.29 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 1sko h LYS 12 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1sko h LYS 12 CO -0.30 0.00 -0.72 0.87 -0.57 0.00 0.00 179.45 178.73 1sko h LYS 13 N 0.00 0.00 -0.71 3.15 1.79 -0.99 -3.39 116.57 116.42 1sko h LYS 13 Ca 0.00 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.63 1sko h LYS 13 Cb 0.46 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.00 1sko h LYS 13 CO 0.00 0.32 0.11 -0.07 -1.08 0.00 0.00 179.45 178.73 1sko h LEU 14 N 0.00 -0.10 -0.64 2.94 3.38 -1.32 0.54 115.31 120.10 1sko h LEU 14 Ca -0.04 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1sko h LEU 14 Cb 1.34 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1sko h LEU 14 CO 0.04 -0.08 0.00 -2.65 0.09 0.00 0.00 178.44 175.84 1sko n PRO 15 N -5.21 0.09 0.04 1.13 -0.02 -1.26 -2.51 135.00 127.25 1sko n PRO 15 Ca 0.13 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 1sko n PRO 15 Cb 0.44 -1.74 0.43 0.00 -0.02 0.00 0.00 33.50 32.62 1sko n PRO 15 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sko n SER 16 N -1.92 0.24 -3.93 2.55 3.41 0.18 -4.36 113.62 109.79 1sko n SER 16 Ca 0.00 0.55 -0.25 0.00 -0.26 0.00 0.00 58.87 58.91 1sko n SER 16 Cb 0.09 -0.60 -0.17 0.00 -0.26 0.00 0.00 64.21 63.27 1sko n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sko s VAL 17 N -3.08 0.97 0.04 -3.33 1.01 -1.04 -5.11 120.40 109.85 1sko s VAL 17 Ca 0.08 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1sko s VAL 17 Cb 0.12 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 1sko s VAL 17 CO 0.39 0.34 1.61 -0.70 0.00 0.00 0.00 175.10 176.75 1sko s GLU 18 N 1.32 4.21 0.00 2.72 2.56 -1.26 -2.12 118.70 126.13 1sko s GLU 18 Ca -0.03 2.26 0.00 0.00 0.00 0.00 0.00 54.97 57.20 1sko s GLU 18 Cb -0.14 -3.64 0.00 0.00 2.00 0.00 0.00 34.13 32.35 1sko s GLU 18 CO -0.03 -0.72 0.00 0.41 -0.56 0.00 0.00 175.26 174.35 1sko n GLY 19 N 3.96 0.97 3.69 -1.50 0.00 -1.26 -4.43 105.19 106.62 1sko n GLY 19 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1sko n GLY 19 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sko s LEU 20 N 0.00 4.29 -0.09 0.99 2.96 -0.90 -0.45 118.68 125.48 1sko s LEU 20 Ca 0.00 1.78 0.08 0.00 -0.22 0.00 0.00 54.13 55.77 1sko s LEU 20 Cb 0.00 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 43.02 1sko s LEU 20 CO 0.00 -0.53 0.03 1.41 -1.32 0.00 0.00 176.35 175.94 1sko n HIS 21 N 4.98 0.00 -3.48 5.38 8.25 0.11 -4.75 115.22 125.71 1sko n HIS 21 Ca 0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.45 1sko n HIS 21 Cb 0.47 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1sko n HIS 21 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sko s ALA 22 N -2.21 -1.42 -0.05 -1.41 0.00 -0.45 -0.76 121.76 115.46 1sko s ALA 22 Ca -0.04 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1sko s ALA 22 Cb 0.03 0.84 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1sko s ALA 22 CO 0.35 -0.74 0.02 0.42 0.00 0.00 0.00 175.76 175.81 1sko s ILE 23 N -3.77 0.17 -0.15 0.00 1.01 -0.20 -0.97 121.20 117.29 1sko s ILE 23 Ca 0.02 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1sko s ILE 23 Cb -0.00 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.14 1sko s ILE 23 CO -0.13 0.20 -0.21 -0.69 0.00 0.00 0.00 174.94 174.12 1sko s VAL 24 N 1.73 2.12 -0.25 2.92 1.01 0.27 -0.68 120.40 127.53 1sko s VAL 24 Ca 0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1sko s VAL 24 Cb -0.13 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1sko s VAL 24 CO -0.03 0.54 0.14 -0.69 0.00 0.00 0.00 175.10 175.05 1sko s VAL 25 N 0.96 5.01 0.25 2.92 1.01 0.45 -0.35 120.40 130.65 1sko s VAL 25 Ca -0.03 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1sko s VAL 25 Cb -0.15 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1sko s VAL 25 CO -0.05 0.32 0.12 -0.94 0.00 0.00 0.00 175.10 174.55 1sko s SER 26 N 1.37 0.89 1.02 3.32 1.04 0.97 -0.39 113.70 121.93 1sko s SER 26 Ca 0.06 -1.41 -0.09 0.00 0.48 0.00 0.00 55.95 54.99 1sko s SER 26 Cb -0.15 0.27 0.12 0.00 0.10 0.00 0.00 66.02 66.37 1sko s SER 26 CO 0.06 -0.79 0.67 -0.90 0.98 0.00 0.00 173.24 173.26 1sko n ASP 27 N -0.48 -0.26 0.32 7.02 5.68 0.06 -0.58 116.55 128.32 1sko n ASP 27 Ca 0.01 -1.17 0.20 0.00 -0.50 0.00 0.00 54.79 53.33 1sko n ASP 27 Cb 0.66 -0.53 1.06 0.00 -1.14 0.00 0.00 41.12 41.18 1sko n ASP 27 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1sko h ARG 28 N 0.00 0.00 -0.43 0.11 3.08 -1.90 -1.08 114.38 114.15 1sko h ARG 28 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1sko h ARG 28 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1sko h ARG 28 CO 0.15 0.01 0.00 -0.25 -1.07 0.00 0.00 179.97 178.81 1sko n ASP 29 N -3.21 2.29 0.00 7.04 8.00 -1.26 -4.45 116.55 124.95 1sko n ASP 29 Ca -0.02 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1sko n ASP 29 Cb 0.12 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1sko n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sko n GLY 30 N 1.17 0.44 3.66 0.44 0.00 -0.41 -4.38 105.19 106.11 1sko n GLY 30 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1sko n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sko s VAL 31 N -2.06 4.44 -0.01 1.61 1.01 -1.26 -3.87 120.40 120.26 1sko s VAL 31 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 1sko s VAL 31 Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1sko s VAL 31 CO 0.00 -0.16 1.28 -2.16 0.00 0.00 0.00 175.10 174.05 1sko s PRO 32 N 3.40 4.34 -0.15 2.72 0.04 -1.26 -0.76 135.00 143.33 1sko s PRO 32 Ca 0.50 1.81 -0.21 0.00 0.04 0.00 0.00 61.00 63.14 1sko s PRO 32 Cb -0.19 -3.51 -0.18 0.00 0.04 0.00 0.00 34.50 30.66 1sko s PRO 32 CO 0.11 -0.46 0.44 0.28 0.04 0.00 0.00 177.00 177.41 1sko h VAL 33 N 4.86 1.15 -3.82 -0.36 2.07 -1.05 -3.48 116.25 115.62 1sko h VAL 33 Ca -0.37 -1.98 -0.27 0.00 0.82 0.00 0.00 66.70 64.89 1sko h VAL 33 Cb 1.18 2.29 -0.28 0.00 -1.52 0.00 0.00 31.29 32.96 1sko h VAL 33 CO 0.88 0.39 -0.74 -0.51 0.02 0.00 0.00 177.57 177.61 1sko s ILE 34 N -2.14 0.21 -0.04 4.57 1.10 -1.01 -5.01 121.20 118.87 1sko s ILE 34 Ca -0.18 -0.15 -0.02 0.00 -0.51 0.00 0.00 60.65 59.79 1sko s ILE 34 Cb 0.00 -0.19 0.03 0.00 0.15 0.00 0.00 42.46 42.45 1sko s ILE 34 CO 0.52 0.03 0.05 -0.75 -2.11 0.00 0.00 174.94 172.68 1sko s LYS 35 N -0.13 0.03 -0.02 3.50 2.20 -1.26 -0.41 119.74 123.65 1sko s LYS 35 Ca 0.00 0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.97 1sko s LYS 35 Cb -0.01 -0.56 -0.01 0.00 -1.51 0.00 0.00 37.83 35.74 1sko s LYS 35 CO -0.00 -0.31 -0.14 0.14 -0.36 0.00 0.00 175.35 174.68 1sko s VAL 36 N 2.06 1.10 -0.21 4.02 -7.23 0.14 -5.01 120.40 115.27 1sko s VAL 36 Ca 0.04 -0.57 -0.16 0.00 -1.81 0.00 0.00 61.98 59.47 1sko s VAL 36 Cb -0.12 -0.94 0.06 0.00 0.56 0.00 0.00 36.38 35.94 1sko s VAL 36 CO -0.03 0.32 0.55 0.00 -0.31 0.00 0.00 175.10 175.62 1sko s ALA 37 N -0.13 -1.39 0.71 1.32 0.00 -1.26 -1.04 121.76 119.97 1sko s ALA 37 Ca 0.01 1.71 -0.03 0.00 0.00 0.00 0.00 51.96 53.66 1sko s ALA 37 Cb -0.07 -1.01 0.11 0.00 0.00 0.00 0.00 23.12 22.15 1sko s ALA 37 CO 0.00 -0.28 0.71 0.27 0.00 0.00 0.00 175.76 176.46 1sko n ASN 38 N 3.38 0.70 0.00 0.00 0.23 0.06 -4.97 115.26 114.66 1sko n ASN 38 Ca -0.17 -1.65 0.07 0.00 -0.53 0.00 0.00 54.58 52.29 1sko n ASN 38 Cb 0.56 -0.48 0.39 0.00 -2.08 0.00 0.00 39.78 38.17 1sko n ASN 38 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1sko n ASP 39 N -3.08 0.00 0.03 0.53 8.00 -1.26 -2.77 116.55 117.99 1sko n ASP 39 Ca 0.11 -1.53 0.11 0.00 0.71 0.00 0.00 54.79 54.19 1sko n ASP 39 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 1sko n ASP 39 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sko n ASN 40 N -0.71 0.58 -4.73 -2.24 3.02 -1.26 -4.93 115.26 104.99 1sko n ASN 40 Ca 0.10 -0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.05 1sko n ASN 40 Cb 0.05 0.92 -0.03 0.00 -0.61 0.00 0.00 39.78 40.11 1sko n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sko s ALA 41 N -3.24 3.70 0.06 5.41 0.00 -1.12 -4.95 121.76 121.62 1sko s ALA 41 Ca 0.02 1.35 -0.31 0.00 0.00 0.00 0.00 51.96 53.03 1sko s ALA 41 Cb 0.14 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1sko s ALA 41 CO 0.82 -0.77 1.53 -2.14 0.00 0.00 0.00 175.76 175.20 1sko s PRO 42 N 0.37 4.24 0.36 0.00 0.02 -1.26 -4.91 135.00 133.83 1sko s PRO 42 Ca 0.65 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.88 1sko s PRO 42 Cb -0.43 -3.52 0.71 0.00 0.02 0.00 0.00 34.50 31.28 1sko s PRO 42 CO 0.37 -0.63 2.00 1.49 -0.33 0.00 0.00 177.00 179.90 1sko h GLU 43 N 7.86 0.76 -0.01 5.54 4.81 -1.97 -1.83 114.58 129.73 1sko h GLU 43 Ca -0.41 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1sko h GLU 43 Cb 1.19 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1sko h GLU 43 CO 0.91 0.50 -0.07 1.12 -0.73 0.00 0.00 179.01 180.74 1sko h HIS 44 N 0.78 0.01 0.00 0.92 2.07 -2.00 -2.75 115.15 114.18 1sko h HIS 44 Ca 0.25 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 1sko h HIS 44 Cb 0.04 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.02 1sko h HIS 44 CO -0.00 0.08 0.00 0.00 -3.07 0.00 0.00 177.93 174.94 1sko n ALA 45 N -2.52 2.12 1.00 6.11 0.00 -0.69 -3.08 120.51 123.45 1sko n ALA 45 Ca -0.03 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1sko n ALA 45 Cb 0.15 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1sko n ALA 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sko n LEU 46 N -1.42 1.79 -4.87 0.00 4.77 -1.04 -4.70 117.00 111.53 1sko n LEU 46 Ca 0.08 -0.70 -0.30 0.00 -0.03 0.00 0.00 56.01 55.06 1sko n LEU 46 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1sko n LEU 46 CO 0.21 0.35 0.48 -0.13 -1.33 0.00 0.00 177.39 176.97 1sko s ARG 47 N -2.60 3.76 0.20 3.23 0.52 -1.18 -4.95 118.95 117.94 1sko s ARG 47 Ca 0.16 0.50 -0.10 0.00 -0.52 0.00 0.00 55.73 55.77 1sko s ARG 47 Cb 0.18 -2.34 0.19 0.00 0.52 0.00 0.00 34.95 33.49 1sko s ARG 47 CO 0.64 -0.11 1.83 -1.35 0.02 0.00 0.00 175.30 176.33 1sko h PRO 48 N 1.01 0.76 -0.28 3.54 0.11 -1.85 -2.22 132.00 133.07 1sko h PRO 48 Ca -0.47 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1sko h PRO 48 Cb 1.19 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1sko h PRO 48 CO 0.63 0.51 0.16 0.78 -0.21 0.00 0.00 178.00 179.87 1sko h GLY 49 N 0.79 0.42 0.69 -0.55 0.00 -1.88 0.19 103.07 102.73 1sko h GLY 49 Ca 0.28 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1sko h GLY 49 CO -0.13 0.18 0.17 -2.75 0.00 0.00 0.00 176.54 174.01 1sko h PHE 50 N 0.35 0.31 0.00 5.60 3.57 -1.77 -3.06 116.94 121.94 1sko h PHE 50 Ca 0.10 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 1sko h PHE 50 Cb 0.04 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1sko h PHE 50 CO -0.04 0.14 -0.67 -0.07 -2.23 0.00 0.00 178.31 175.44 1sko h LEU 51 N 0.35 0.00 -1.56 0.59 3.38 -0.74 -3.20 115.31 114.13 1sko h LEU 51 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1sko h LEU 51 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1sko h LEU 51 CO -0.17 0.67 0.00 0.77 0.09 0.00 0.00 178.44 179.80 1sko h SER 52 N 0.00 0.00 -0.94 -0.43 4.64 -0.53 -2.76 113.55 113.52 1sko h SER 52 Ca -0.01 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.52 1sko h SER 52 Cb 1.48 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.49 1sko h SER 52 CO 0.09 0.00 0.61 0.74 -0.87 0.00 0.00 176.83 177.40 1sko h THR 53 N 0.00 0.66 -0.84 2.95 2.02 -1.62 -2.39 112.91 113.69 1sko h THR 53 Ca 0.00 -0.16 0.12 0.00 0.77 0.00 0.00 66.41 67.14 1sko h THR 53 Cb 0.24 0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 66.73 1sko h THR 53 CO 0.00 0.08 0.46 0.15 0.37 0.00 0.00 175.52 176.59 1sko h PHE 54 N 0.46 0.82 -0.70 3.16 3.57 -1.75 -2.77 116.94 119.73 1sko h PHE 54 Ca 0.50 0.03 0.10 0.00 3.53 0.00 0.00 57.97 62.13 1sko h PHE 54 Cb 1.18 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 1sko h PHE 54 CO -0.00 0.28 0.34 0.00 -2.23 0.00 0.00 178.31 176.69 1sko h ALA 55 N 1.50 0.97 -0.21 2.41 0.00 -1.64 0.24 119.26 122.52 1sko h ALA 55 Ca 0.43 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.25 1sko h ALA 55 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sko h ALA 55 CO -0.30 -0.08 -0.47 1.37 0.00 0.00 0.00 179.25 179.77 1sko h LEU 56 N 0.56 0.78 -0.67 0.00 -0.00 -1.67 -3.02 115.31 111.30 1sko h LEU 56 Ca 0.35 -0.56 -0.11 0.00 -0.00 0.00 0.00 57.88 57.56 1sko h LEU 56 Cb 0.39 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 1sko h LEU 56 CO -0.28 1.20 -0.17 0.00 -0.00 0.00 0.00 178.44 179.18 1sko h ALA 57 N 0.61 0.86 -0.29 0.17 0.00 -1.15 -2.06 119.26 117.39 1sko h ALA 57 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1sko h ALA 57 Cb 1.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1sko h ALA 57 CO 0.10 0.64 -0.09 0.00 0.00 0.00 0.00 179.25 179.91 1sko h THR 58 N 0.75 1.21 -0.34 0.00 1.03 -0.60 -0.18 112.91 114.79 1sko h THR 58 Ca 0.11 -0.91 -0.03 0.00 -0.01 0.00 0.00 66.41 65.57 1sko h THR 58 Cb 0.70 1.09 -0.01 0.00 -1.07 0.00 0.00 68.15 68.86 1sko h THR 58 CO 0.05 0.30 0.07 -0.78 -0.01 0.00 0.00 175.52 175.16 1sko h ASP 59 N 0.44 0.52 -0.51 0.00 1.82 -1.35 -2.32 116.42 115.01 1sko h ASP 59 Ca 0.09 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.46 1sko h ASP 59 Cb 0.42 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1sko h ASP 59 CO 0.02 0.63 0.20 1.56 -1.61 0.00 0.00 179.24 180.04 1sko h GLN 60 N 0.39 0.77 0.00 0.28 1.08 -1.16 -2.85 115.11 113.62 1sko h GLN 60 Ca 0.10 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1sko h GLN 60 Cb 0.31 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1sko h GLN 60 CO 0.00 0.68 -0.05 0.78 -0.95 0.00 0.00 178.83 179.30 1sko h GLY 61 N 0.69 0.00 1.22 3.46 0.00 -0.95 -0.35 103.07 107.14 1sko h GLY 61 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1sko h GLY 61 CO -0.01 0.00 -0.02 1.44 0.00 0.00 0.00 176.54 177.95 1sko n SER 62 N -3.31 0.11 -1.14 0.19 7.64 -0.88 -3.83 113.62 112.38 1sko n SER 62 Ca -0.01 -0.54 0.08 0.00 1.01 0.00 0.00 58.87 59.41 1sko n SER 62 Cb 0.21 -0.15 0.28 0.00 -1.01 0.00 0.00 64.21 63.54 1sko n SER 62 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sko n LYS 63 N -1.10 3.37 0.00 1.43 5.02 -0.14 -4.57 118.16 122.16 1sko n LYS 63 Ca 0.18 -2.71 0.12 0.00 -2.02 0.00 0.00 58.31 53.88 1sko n LYS 63 Cb 0.20 -1.77 0.24 0.00 -0.02 0.00 0.00 35.03 33.68 1sko n LYS 63 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sko n LEU 64 N 0.32 1.01 0.00 -0.35 4.77 -1.25 -4.89 117.00 116.61 1sko n LEU 64 Ca 0.21 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1sko n LEU 64 Cb 0.82 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1sko n LEU 64 CO 0.18 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1sko n GLY 65 N 1.41 0.82 0.84 -0.72 0.00 -1.26 -4.95 105.19 101.33 1sko n GLY 65 Ca 0.09 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1sko n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sko n LEU 66 N 0.00 3.66 0.00 0.99 4.77 -1.26 -5.09 117.00 120.07 1sko n LEU 66 Ca 0.00 -2.74 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 1sko n LEU 66 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1sko n LEU 66 CO 0.00 0.69 0.00 -0.24 -1.33 0.00 0.00 177.39 176.51 1sko n SER 67 N -0.22 -2.33 -4.75 -1.43 2.88 -1.26 -4.85 113.62 101.66 1sko n SER 67 Ca 0.19 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.32 1sko n SER 67 Cb 0.77 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.19 1sko n SER 67 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1sko s LYS 68 N 0.00 4.59 0.06 -1.46 -0.14 -1.26 -4.44 119.74 117.09 1sko s LYS 68 Ca 0.00 1.81 -0.31 0.00 -1.36 0.00 0.00 55.97 56.12 1sko s LYS 68 Cb 0.00 -3.22 -0.06 0.00 -1.68 0.00 0.00 37.83 32.87 1sko s LYS 68 CO 0.00 0.10 1.32 1.21 -0.76 0.00 0.00 175.35 177.22 1sko s ASN 69 N -0.47 6.92 -0.23 2.83 3.84 -1.26 -4.93 114.94 121.64 1sko s ASN 69 Ca 0.48 2.14 0.07 0.00 0.21 0.00 0.00 52.86 55.76 1sko s ASN 69 Cb -0.32 -2.58 -0.19 0.00 -0.55 0.00 0.00 41.25 37.61 1sko s ASN 69 CO 0.39 -0.61 -0.12 0.29 -2.79 0.00 0.00 177.10 174.26 1sko n LYS 70 N 4.38 0.68 -3.54 0.43 5.02 -1.26 -4.81 118.16 119.05 1sko n LYS 70 Ca 0.11 0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.37 1sko n LYS 70 Cb 0.44 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 1sko n LYS 70 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sko s SER 71 N -6.10 -0.43 -0.06 4.39 1.04 -1.26 -0.85 113.70 110.43 1sko s SER 71 Ca -0.26 0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.19 1sko s SER 71 Cb 0.08 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.74 1sko s SER 71 CO 0.66 -0.82 -0.05 -0.63 0.98 0.00 0.00 173.24 173.38 1sko s ILE 72 N -3.13 0.65 -0.18 -1.02 1.01 -0.63 -5.02 121.20 112.89 1sko s ILE 72 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 1sko s ILE 72 Cb -0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 1sko s ILE 72 CO -0.07 0.27 -0.06 -0.63 0.00 0.00 0.00 174.94 174.45 1sko s ILE 73 N 1.21 3.50 -0.14 2.92 1.01 -1.26 -1.21 121.20 127.23 1sko s ILE 73 Ca -0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 1sko s ILE 73 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1sko s ILE 73 CO -0.02 0.46 -0.13 0.00 0.00 0.00 0.00 174.94 175.25 1sko s TYR 75 N 0.53 3.03 0.00 0.00 2.02 -1.26 -0.07 117.35 121.61 1sko s TYR 75 Ca -0.09 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 1sko s TYR 75 Cb -0.16 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1sko s TYR 75 CO 0.04 -0.17 0.00 0.66 -1.57 0.00 0.00 175.55 174.50 1sko n TYR 76 N 4.01 -1.72 -0.02 2.71 4.01 0.67 -5.00 117.16 121.81 1sko n TYR 76 Ca -0.17 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.45 1sko n TYR 76 Cb 0.52 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.48 1sko n TYR 76 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 1sko h ASN 77 N 0.00 0.15 -0.00 7.72 -1.24 -2.00 -3.37 115.58 116.84 1sko h ASN 77 Ca 0.00 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.75 1sko h ASN 77 Cb 0.00 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1sko h ASN 77 CO 0.00 0.38 -0.37 0.35 -1.29 0.00 0.00 177.43 176.50 1sko n THR 78 N -4.86 0.00 -4.08 -3.57 -2.24 -1.26 -4.74 114.28 93.53 1sko n THR 78 Ca -0.06 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 1sko n THR 78 Cb 0.17 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.32 1sko n THR 78 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1sko s TYR 79 N -1.73 0.67 0.14 4.78 -0.85 -1.26 -2.19 117.35 116.92 1sko s TYR 79 Ca 0.03 -1.07 0.07 0.00 -0.52 0.00 0.00 57.07 55.58 1sko s TYR 79 Cb 0.06 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 1sko s TYR 79 CO 0.33 -0.55 -0.15 1.14 -1.52 0.00 0.00 175.55 174.80 1sko s GLN 80 N -4.00 1.13 -0.12 -3.49 -2.07 0.45 -0.24 119.66 111.32 1sko s GLN 80 Ca 0.19 -1.33 0.00 0.00 -1.82 0.00 0.00 55.36 52.41 1sko s GLN 80 Cb 0.06 -1.04 0.02 0.00 -1.09 0.00 0.00 33.01 30.96 1sko s GLN 80 CO -0.01 0.20 -0.11 0.08 -1.32 0.00 0.00 175.29 174.13 1sko s VAL 81 N -2.22 1.24 -0.24 3.63 1.01 0.91 -1.87 120.40 122.85 1sko s VAL 81 Ca 0.12 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1sko s VAL 81 Cb -0.05 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1sko s VAL 81 CO 0.04 0.40 0.03 -0.69 0.00 0.00 0.00 175.10 174.89 1sko s VAL 82 N 1.44 3.97 -0.08 2.92 1.01 0.01 -0.39 120.40 129.28 1sko s VAL 82 Ca 0.01 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1sko s VAL 82 Cb -0.13 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 1sko s VAL 82 CO -0.07 0.34 -0.22 -1.10 0.00 0.00 0.00 175.10 174.05 1sko s GLN 83 N 1.56 2.65 -0.07 2.72 -0.21 -0.35 -0.15 119.66 125.81 1sko s GLN 83 Ca 0.06 -0.81 0.03 0.00 0.02 0.00 0.00 55.36 54.66 1sko s GLN 83 Cb -0.15 -2.10 -0.02 0.00 1.00 0.00 0.00 33.01 31.74 1sko s GLN 83 CO 0.01 0.22 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.18 1sko s PHE 84 N 0.21 2.67 -0.64 0.91 0.08 0.13 -1.60 117.98 119.74 1sko s PHE 84 Ca -0.13 -0.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.24 1sko s PHE 84 Cb -0.16 -1.68 0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1sko s PHE 84 CO 0.06 -0.03 1.06 1.21 -0.10 0.00 0.00 175.22 177.43 1sko s ASN 85 N -0.28 6.24 -0.36 1.36 3.84 -0.03 -2.28 114.94 123.43 1sko s ASN 85 Ca 0.01 -0.56 0.06 0.00 0.21 0.00 0.00 52.86 52.58 1sko s ASN 85 Cb -0.13 -2.47 0.45 0.00 -0.55 0.00 0.00 41.25 38.55 1sko s ASN 85 CO 0.03 -1.49 1.29 0.54 -2.79 0.00 0.00 177.10 174.68 1sko n ARG 86 N 8.13 3.48 -1.60 0.43 5.12 -0.53 -4.95 116.66 126.73 1sko n ARG 86 Ca 0.01 -4.11 -0.50 0.00 -1.93 0.00 0.00 57.85 51.32 1sko n ARG 86 Cb 0.47 -2.28 -0.05 0.00 -1.16 0.00 0.00 32.46 29.45 1sko n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1sko n LEU 87 N -0.70 1.90 0.00 0.55 4.32 -1.26 -1.33 117.00 120.48 1sko n LEU 87 Ca 0.45 1.12 0.14 0.00 -0.02 0.00 0.00 56.01 57.70 1sko n LEU 87 Cb 0.88 -1.24 0.74 0.00 -1.62 0.00 0.00 43.42 42.17 1sko n LEU 87 CO 0.43 -0.98 0.98 -0.81 -1.22 0.00 0.00 177.39 175.79 1sko n PRO 88 N 2.39 0.56 -3.41 3.23 -0.04 -1.26 -5.06 135.00 131.41 1sko n PRO 88 Ca 0.17 0.02 -0.34 0.00 -0.04 0.00 0.00 63.50 63.30 1sko n PRO 88 Cb 0.23 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 1sko n PRO 88 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sko s LEU 89 N -2.38 4.30 -0.13 1.53 1.43 -0.45 -3.64 118.68 119.35 1sko s LEU 89 Ca 0.31 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 1sko s LEU 89 Cb 0.19 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 1sko s LEU 89 CO 0.39 0.08 -0.15 -0.69 0.23 0.00 0.00 176.35 176.21 1sko s VAL 90 N -1.53 2.90 -0.19 -1.59 1.01 0.26 -1.45 120.40 119.81 1sko s VAL 90 Ca 0.39 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1sko s VAL 90 Cb -0.14 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1sko s VAL 90 CO 0.19 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 175.04 1sko s VAL 91 N 0.38 3.10 -0.06 2.92 1.01 -0.96 -0.02 120.40 126.77 1sko s VAL 91 Ca -0.12 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1sko s VAL 91 Cb -0.16 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 1sko s VAL 91 CO 0.06 0.47 -0.19 -0.44 0.00 0.00 0.00 175.10 175.00 1sko s SER 92 N 1.16 2.38 -0.18 3.32 0.01 0.52 0.22 113.70 121.13 1sko s SER 92 Ca 0.01 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 1sko s SER 92 Cb -0.14 -0.78 -0.01 0.00 0.21 0.00 0.00 66.02 65.30 1sko s SER 92 CO -0.03 0.15 -0.10 -0.36 0.41 0.00 0.00 173.24 173.32 1sko s PHE 93 N 0.13 2.87 -0.18 2.43 0.08 0.78 -0.56 117.98 123.54 1sko s PHE 93 Ca -0.07 -0.92 -0.05 0.00 0.12 0.00 0.00 56.93 56.01 1sko s PHE 93 Cb -0.13 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1sko s PHE 93 CO 0.04 -0.45 -0.00 0.42 -0.10 0.00 0.00 175.22 175.13 1sko s ILE 94 N 0.99 4.04 0.31 0.64 -1.09 -0.14 -0.81 121.20 125.13 1sko s ILE 94 Ca -0.01 -0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.08 1sko s ILE 94 Cb -0.15 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.92 1sko s ILE 94 CO -0.01 0.45 0.42 0.00 -1.23 0.00 0.00 174.94 174.57 1sko s ALA 95 N 0.73 0.70 0.65 9.38 0.00 -0.78 0.08 121.76 132.51 1sko s ALA 95 Ca -0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.35 1sko s ALA 95 Cb -0.14 1.19 -0.01 0.00 0.00 0.00 0.00 23.12 24.16 1sko s ALA 95 CO 0.02 -0.77 1.11 -1.54 0.00 0.00 0.00 175.76 174.58 1sko s SER 96 N -3.19 5.17 0.54 0.00 1.04 0.40 -0.41 113.70 117.25 1sko s SER 96 Ca 0.31 2.02 0.31 0.00 0.48 0.00 0.00 55.95 59.06 1sko s SER 96 Cb 0.01 -2.55 1.51 0.00 0.10 0.00 0.00 66.02 65.09 1sko s SER 96 CO 0.17 -1.59 2.07 0.77 0.98 0.00 0.00 173.24 175.65 1sko h SER 97 N 0.16 0.00 -0.17 7.02 4.64 -1.63 -1.09 113.55 122.48 1sko h SER 97 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1sko h SER 97 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sko h SER 97 CO 0.54 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 175.06 1sko n SER 98 N -3.44 2.85 -4.69 4.97 3.41 -1.26 -4.84 113.62 110.62 1sko n SER 98 Ca -0.01 -1.91 -0.38 0.00 -0.26 0.00 0.00 58.87 56.30 1sko n SER 98 Cb 0.25 -0.10 0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1sko n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sko n ALA 99 N 1.16 0.95 -2.16 7.33 0.00 -0.41 -4.90 120.51 122.47 1sko n ALA 99 Ca 0.17 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 1sko n ALA 99 Cb 0.55 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 1sko n ALA 99 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1sko s ASN 100 N -1.08 5.96 0.34 0.00 3.84 -1.26 -4.87 114.94 117.86 1sko s ASN 100 Ca 0.74 0.86 0.02 0.00 0.21 0.00 0.00 52.86 54.69 1sko s ASN 100 Cb -0.42 -2.53 0.61 0.00 -0.55 0.00 0.00 41.25 38.35 1sko s ASN 100 CO 0.48 -1.73 2.00 0.74 -2.79 0.00 0.00 177.10 175.79 1sko h THR 101 N 6.66 1.17 -0.51 -5.21 2.02 -1.96 -1.96 112.91 113.12 1sko h THR 101 Ca -0.30 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 66.59 1sko h THR 101 Cb 1.14 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 1sko h THR 101 CO 1.10 0.17 0.25 1.23 0.37 0.00 0.00 175.52 178.64 1sko h GLY 102 N 0.88 0.71 1.58 2.16 0.00 -2.00 0.26 103.07 106.66 1sko h GLY 102 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1sko h GLY 102 CO -0.05 0.10 0.20 1.41 0.00 0.00 0.00 176.54 178.20 1sko h LEU 103 N 0.48 0.49 -0.04 3.11 3.38 -1.77 -1.40 115.31 119.55 1sko h LEU 103 Ca 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1sko h LEU 103 Cb 0.15 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1sko h LEU 103 CO -0.17 0.41 0.01 0.40 0.09 0.00 0.00 178.44 179.19 1sko h ILE 104 N 0.55 1.15 -0.98 1.22 2.04 -1.03 0.37 117.51 120.85 1sko h ILE 104 Ca 0.14 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1sko h ILE 104 Cb 0.05 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1sko h ILE 104 CO -0.02 0.12 0.65 0.58 0.00 0.00 0.00 178.15 179.48 1sko h VAL 105 N -0.12 1.25 -0.17 1.67 2.07 -0.68 -0.74 116.25 119.54 1sko h VAL 105 Ca 0.01 -0.45 -0.19 0.00 0.82 0.00 0.00 66.70 66.89 1sko h VAL 105 Cb 0.19 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1sko h VAL 105 CO -0.00 0.24 -0.67 0.77 0.02 0.00 0.00 177.57 177.93 1sko h SER 106 N 1.32 0.76 -0.63 0.57 4.64 -1.20 -2.55 113.55 116.46 1sko h SER 106 Ca 0.36 -0.46 0.06 0.00 -0.47 0.00 0.00 61.79 61.28 1sko h SER 106 Cb -0.15 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 61.66 1sko h SER 106 CO -0.08 1.23 0.34 0.25 -0.87 0.00 0.00 176.83 177.69 1sko h LEU 107 N 0.47 0.48 -0.71 5.97 5.85 -0.39 -1.74 115.31 125.24 1sko h LEU 107 Ca -0.02 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1sko h LEU 107 Cb 1.26 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1sko h LEU 107 CO 0.13 0.31 0.42 -0.08 -0.34 0.00 0.00 178.44 178.88 1sko h GLU 108 N 0.62 0.77 -0.47 1.25 4.22 -0.91 0.64 114.58 120.69 1sko h GLU 108 Ca 0.29 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.70 1sko h GLU 108 Cb 0.21 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1sko h GLU 108 CO -0.20 0.51 0.28 0.87 -2.18 0.00 0.00 179.01 178.30 1sko h LYS 109 N 0.80 0.55 -0.46 1.92 1.57 -1.10 0.11 116.57 119.96 1sko h LYS 109 Ca 0.30 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1sko h LYS 109 Cb 0.12 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1sko h LYS 109 CO -0.15 0.36 0.25 1.49 -0.57 0.00 0.00 179.45 180.83 1sko h GLU 110 N 0.57 0.49 0.00 3.15 4.81 -0.79 -3.08 114.58 119.72 1sko h GLU 110 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1sko h GLU 110 Cb 0.01 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1sko h GLU 110 CO -0.08 0.32 0.00 1.28 -0.73 0.00 0.00 179.01 179.80 1sko n LEU 111 N -4.87 0.26 -0.36 1.64 4.77 0.17 -4.35 117.00 114.27 1sko n LEU 111 Ca 0.03 0.53 0.09 0.00 -0.03 0.00 0.00 56.01 56.62 1sko n LEU 111 Cb 0.10 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.00 1sko n LEU 111 CO 0.31 -0.08 1.23 0.00 -1.33 0.00 0.00 177.39 177.51 1sko h ALA 112 N 2.81 1.56 0.00 -1.18 0.00 -0.70 0.49 119.26 122.24 1sko h ALA 112 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sko h ALA 112 Cb 0.56 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1sko h ALA 112 CO 0.00 0.16 -0.08 -1.35 0.00 0.00 0.00 179.25 177.98 1sko h PRO 113 N 0.94 0.00 0.01 0.00 0.11 -1.81 -0.24 132.00 131.02 1sko h PRO 113 Ca 0.52 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.37 1sko h PRO 113 Cb 0.58 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.71 1sko h PRO 113 CO -0.29 0.08 -1.03 -0.07 -0.21 0.00 0.00 178.00 176.48 1sko h LEU 114 N 0.00 0.77 -0.85 2.35 3.38 -1.22 -1.47 115.31 118.26 1sko h LEU 114 Ca -0.00 -0.63 -0.11 0.00 0.09 0.00 0.00 57.88 57.23 1sko h LEU 114 Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1sko h LEU 114 CO 0.01 1.43 -0.53 -0.26 0.09 0.00 0.00 178.44 179.18 1sko h PHE 115 N 0.32 0.00 -0.29 1.13 0.04 -0.86 -2.85 116.94 114.44 1sko h PHE 115 Ca -0.12 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.52 1sko h PHE 115 Cb 1.68 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.83 1sko h PHE 115 CO 0.09 0.53 -0.32 0.93 -0.60 0.00 0.00 178.31 178.94 1sko h GLU 116 N 0.00 0.72 0.00 1.51 4.39 -1.04 -2.89 114.58 117.27 1sko h GLU 116 Ca -0.01 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1sko h GLU 116 Cb 1.01 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1sko h GLU 116 CO 0.07 1.02 0.00 0.39 -1.16 0.00 0.00 179.01 179.32 1sko n GLU 117 N -4.23 0.12 -2.87 2.33 1.02 -0.56 -4.16 120.64 112.29 1sko n GLU 117 Ca -0.04 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.05 1sko n GLU 117 Cb 0.49 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1sko n GLU 117 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1sko s LEU 118 N -2.01 -1.24 0.00 -4.62 0.20 -1.09 -5.07 118.68 104.84 1sko s LEU 118 Ca 0.06 -1.70 0.00 0.00 0.69 0.00 0.00 54.13 53.18 1sko s LEU 118 Cb 0.03 1.73 0.00 0.00 -0.43 0.00 0.00 46.19 47.52 1sko s LEU 118 CO 0.05 -0.08 0.00 0.54 -0.29 0.00 0.00 176.35 176.57