#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sko n LYS 4 N 0.00 0.00 0.04 -0.52 4.81 -1.26 -4.57 118.16 116.67 1sko n LYS 4 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1sko n LYS 4 Cb 0.00 -0.20 0.52 0.00 0.02 0.00 0.00 35.03 35.37 1sko n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sko h ALA 5 N 0.00 1.92 0.00 3.14 0.00 -2.05 -1.73 119.26 120.54 1sko h ALA 5 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sko h ALA 5 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1sko h ALA 5 CO 0.00 0.02 -0.23 1.25 0.00 0.00 0.00 179.25 180.29 1sko h LEU 6 N 0.34 0.00 -1.00 0.00 7.12 -1.98 -1.45 115.31 118.34 1sko h LEU 6 Ca 0.16 -0.55 0.24 0.00 0.13 0.00 0.00 57.88 57.86 1sko h LEU 6 Cb 0.20 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 40.20 1sko h LEU 6 CO -0.03 0.90 0.59 0.74 -0.13 0.00 0.00 178.44 180.50 1sko h THR 7 N -1.00 0.54 -0.12 1.05 2.02 -1.80 0.34 112.91 113.94 1sko h THR 7 Ca -0.05 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.79 1sko h THR 7 Cb 0.71 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1sko h THR 7 CO -0.03 0.11 -0.52 -0.61 0.37 0.00 0.00 175.52 174.83 1sko h GLN 8 N 0.58 0.32 -0.04 6.66 4.15 -1.33 0.51 115.11 125.96 1sko h GLN 8 Ca 0.64 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.86 1sko h GLN 8 Cb 1.21 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 1sko h GLN 8 CO -0.48 0.77 -0.00 0.28 -1.93 0.00 0.00 178.83 177.47 1sko h VAL 9 N 0.25 1.25 -0.76 2.39 2.07 0.09 -1.77 116.25 119.77 1sko h VAL 9 Ca 0.01 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 66.81 1sko h VAL 9 Cb 1.01 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.41 1sko h VAL 9 CO 0.09 0.21 0.46 -0.07 0.02 0.00 0.00 177.57 178.28 1sko h LEU 10 N -0.22 0.72 -0.49 2.57 3.38 -0.28 -2.26 115.31 118.73 1sko h LEU 10 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sko h LEU 10 Cb 0.34 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1sko h LEU 10 CO 0.00 0.47 0.31 0.77 0.09 0.00 0.00 178.44 180.09 1sko h SER 11 N 0.86 0.57 -0.14 -0.43 4.64 -0.81 -0.41 113.55 117.83 1sko h SER 11 Ca 0.33 -0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.66 1sko h SER 11 Cb 0.14 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1sko h SER 11 CO -0.16 0.43 0.24 1.56 -0.87 0.00 0.00 176.83 178.03 1sko h GLN 12 N 0.66 0.00 0.00 4.77 4.20 -0.71 -1.68 115.11 122.34 1sko h GLN 12 Ca 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1sko h GLN 12 Cb -0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1sko h GLN 12 CO -0.04 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.11 1sko h ALA 13 N 1.65 1.00 -0.43 3.87 0.00 -0.92 -3.39 119.26 121.03 1sko h ALA 13 Ca 0.07 -0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.24 1sko h ALA 13 Cb 0.55 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1sko h ALA 13 CO -0.00 0.01 2.67 0.09 0.00 0.00 0.00 179.25 182.03 1sko n ASN 14 N -3.10 5.04 -4.33 0.00 5.03 -0.63 -4.82 115.26 112.45 1sko n ASN 14 Ca 0.02 -2.96 -0.17 0.00 0.87 0.00 0.00 54.58 52.34 1sko n ASN 14 Cb 0.41 -1.55 -0.10 0.00 -1.02 0.00 0.00 39.78 37.51 1sko n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1sko s THR 15 N 1.62 1.27 -1.17 3.41 -4.23 -1.24 -4.81 115.64 110.50 1sko s THR 15 Ca 0.46 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1sko s THR 15 Cb 0.13 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1sko s THR 15 CO -0.05 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1sko n GLY 16 N -0.38 1.10 0.00 3.99 0.00 -1.26 -2.17 105.19 106.47 1sko n GLY 16 Ca -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1sko n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sko n GLY 17 N -1.54 1.09 3.72 -0.02 0.00 -1.26 -4.84 105.19 102.34 1sko n GLY 17 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1sko n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sko s VAL 18 N -2.12 3.95 -0.19 1.61 1.01 -0.92 -0.51 120.40 123.21 1sko s VAL 18 Ca 0.00 1.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 1sko s VAL 18 Cb 0.00 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 1sko s VAL 18 CO 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 175.10 175.05 1sko n GLN 19 N 3.56 0.47 -3.81 2.72 1.13 0.44 -3.61 117.38 118.27 1sko n GLN 19 Ca 0.08 0.13 -0.12 0.00 -1.94 0.00 0.00 57.00 55.14 1sko n GLN 19 Cb 0.46 -1.35 -0.09 0.00 0.11 0.00 0.00 30.24 29.37 1sko n GLN 19 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1sko s SER 20 N -6.07 -0.09 -0.05 1.08 1.04 -0.88 -2.26 113.70 106.47 1sko s SER 20 Ca -0.26 -0.04 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 1sko s SER 20 Cb 0.08 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1sko s SER 20 CO 0.42 -0.40 -0.00 -0.89 0.98 0.00 0.00 173.24 173.35 1sko s THR 21 N -1.32 0.29 -0.04 2.02 2.01 -0.32 -0.65 115.64 117.64 1sko s THR 21 Ca -0.14 0.08 0.05 0.00 0.31 0.00 0.00 61.69 61.99 1sko s THR 21 Cb -0.06 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1sko s THR 21 CO 0.03 0.20 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.21 1sko s LEU 22 N 1.38 1.97 -0.15 4.42 1.02 0.68 -1.51 118.68 126.50 1sko s LEU 22 Ca -0.04 -0.37 -0.05 0.00 0.02 0.00 0.00 54.13 53.69 1sko s LEU 22 Cb -0.13 -1.03 -0.04 0.00 0.02 0.00 0.00 46.19 45.01 1sko s LEU 22 CO -0.02 0.19 0.02 -0.76 0.02 0.00 0.00 176.35 175.80 1sko s LEU 23 N -0.15 3.63 0.04 1.79 1.43 0.52 -0.76 118.68 125.18 1sko s LEU 23 Ca -0.00 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1sko s LEU 23 Cb -0.10 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1sko s LEU 23 CO 0.01 0.24 -0.03 -1.48 0.23 0.00 0.00 176.35 175.32 1sko s LEU 24 N -0.01 2.44 0.78 1.79 2.34 -0.42 -0.54 118.68 125.06 1sko s LEU 24 Ca 0.04 -0.90 -0.07 0.00 0.06 0.00 0.00 54.13 53.26 1sko s LEU 24 Cb -0.13 0.18 0.13 0.00 -0.56 0.00 0.00 46.19 45.81 1sko s LEU 24 CO 0.02 -0.54 1.09 0.54 -1.06 0.00 0.00 176.35 176.40 1sko s ASN 25 N -2.63 4.15 0.52 1.48 2.20 -1.02 -0.08 114.94 119.57 1sko s ASN 25 Ca 0.03 0.09 0.34 0.00 -0.94 0.00 0.00 52.86 52.38 1sko s ASN 25 Cb 0.04 -0.47 1.65 0.00 -2.00 0.00 0.00 41.25 40.47 1sko s ASN 25 CO -0.08 -2.02 2.04 0.78 -2.94 0.00 0.00 177.10 174.88 1sko h ASN 26 N -0.86 0.00 0.57 3.54 2.35 -1.92 0.59 115.58 119.84 1sko h ASN 26 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1sko h ASN 26 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1sko h ASN 26 CO 0.46 0.00 -0.22 -0.62 -1.65 0.00 0.00 177.43 175.40 1sko n GLU 27 N -2.86 0.29 -1.49 0.81 4.71 -1.26 -4.85 120.64 115.99 1sko n GLU 27 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 1sko n GLU 27 Cb 0.18 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 1sko n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sko n GLY 28 N 1.42 0.65 3.82 0.62 0.00 0.20 -4.94 105.19 106.96 1sko n GLY 28 Ca 0.09 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 1sko n GLY 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sko s SER 29 N -2.81 6.55 0.05 1.61 1.04 -1.26 -3.30 113.70 115.58 1sko s SER 29 Ca 0.00 0.65 -0.31 0.00 0.48 0.00 0.00 55.95 56.77 1sko s SER 29 Cb 0.00 -2.16 -0.05 0.00 0.10 0.00 0.00 66.02 63.90 1sko s SER 29 CO 0.00 0.29 1.20 -0.22 0.98 0.00 0.00 173.24 175.49 1sko s LEU 30 N -0.63 4.36 -0.26 2.42 0.20 -1.26 -2.42 118.68 121.10 1sko s LEU 30 Ca 0.18 1.99 -0.03 0.00 0.69 0.00 0.00 54.13 56.97 1sko s LEU 30 Cb -0.14 -3.58 -0.15 0.00 -0.43 0.00 0.00 46.19 41.89 1sko s LEU 30 CO 0.07 -0.48 -0.26 0.18 -0.29 0.00 0.00 176.35 175.58 1sko n LEU 31 N 4.04 2.67 -3.51 -0.68 4.77 0.30 -4.98 117.00 119.61 1sko n LEU 31 Ca 0.09 -0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 1sko n LEU 31 Cb 0.46 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1sko n LEU 31 CO 0.55 0.82 0.44 0.00 -1.33 0.00 0.00 177.39 177.88 1sko s ALA 32 N -2.50 -1.76 -0.12 -1.18 0.00 -0.95 -5.00 121.76 110.26 1sko s ALA 32 Ca -0.35 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 1sko s ALA 32 Cb 0.10 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1sko s ALA 32 CO 0.55 -0.41 0.39 -0.47 0.00 0.00 0.00 175.76 175.82 1sko s TYR 33 N -1.48 -0.40 0.04 0.00 5.04 -1.26 -0.36 117.35 118.94 1sko s TYR 33 Ca -0.09 0.91 -0.06 0.00 -2.44 0.00 0.00 57.07 55.39 1sko s TYR 33 Cb -0.00 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.45 1sko s TYR 33 CO 0.07 -0.26 0.10 -1.54 -1.34 0.00 0.00 175.55 172.58 1sko s SER 34 N -0.16 0.19 0.00 4.32 1.04 -0.57 -4.93 113.70 113.59 1sko s SER 34 Ca -0.03 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1sko s SER 34 Cb -0.03 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1sko s SER 34 CO 0.02 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1sko n GLY 35 N 0.66 -1.31 3.22 7.32 0.00 -1.26 -1.17 105.19 112.66 1sko n GLY 35 Ca -0.18 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.63 1sko n GLY 35 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sko s TYR 36 N 0.00 -0.04 -1.32 1.61 -0.85 -0.96 -4.93 117.35 110.87 1sko s TYR 36 Ca 0.00 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 1sko s TYR 36 Cb 0.00 0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.38 1sko s TYR 36 CO 0.00 -0.48 0.00 0.41 -1.52 0.00 0.00 175.55 173.96 1sko n GLY 37 N 0.59 -0.60 2.72 5.49 0.00 -1.26 -4.43 105.19 107.71 1sko n GLY 37 Ca -0.19 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 1sko n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sko n ASP 38 N 0.00 -0.46 0.00 1.61 2.03 -1.26 -4.65 116.55 113.83 1sko n ASP 38 Ca 0.00 -2.22 0.00 0.00 0.52 0.00 0.00 54.79 53.09 1sko n ASP 38 Cb 0.00 0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1sko n ASP 38 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1sko n THR 39 N -1.08 0.00 0.00 5.18 -1.04 -1.26 -5.12 114.28 110.96 1sko n THR 39 Ca -0.07 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1sko n THR 39 Cb 0.85 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1sko n THR 39 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1sko n ASP 40 N -1.52 0.00 -0.24 8.00 4.64 -1.26 -5.06 116.55 121.11 1sko n ASP 40 Ca 0.00 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.45 1sko n ASP 40 Cb 0.00 0.00 0.15 0.00 -1.04 0.00 0.00 41.12 40.23 1sko n ASP 40 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1sko h ALA 41 N 0.00 0.80 -0.67 -1.67 0.00 -1.99 0.12 119.26 115.85 1sko h ALA 41 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1sko h ALA 41 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1sko h ALA 41 CO 0.00 -0.39 0.20 0.00 0.00 0.00 0.00 179.25 179.06 1sko h ARG 42 N 0.16 1.05 -0.15 0.00 3.08 -1.98 -0.35 114.38 116.19 1sko h ARG 42 Ca 0.39 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1sko h ARG 42 Cb 0.68 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1sko h ARG 42 CO -0.58 0.92 -0.04 0.28 -1.07 0.00 0.00 179.97 179.48 1sko h VAL 43 N 0.98 1.29 -0.46 2.04 2.07 -1.77 -1.35 116.25 119.05 1sko h VAL 43 Ca 0.21 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.80 1sko h VAL 43 Cb 0.31 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1sko h VAL 43 CO -0.00 0.29 0.16 0.74 0.02 0.00 0.00 177.57 178.77 1sko h THR 44 N -0.01 0.84 -0.78 2.57 2.02 -0.61 -0.52 112.91 116.43 1sko h THR 44 Ca 0.04 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1sko h THR 44 Cb 0.47 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1sko h THR 44 CO 0.02 0.06 0.47 0.00 0.37 0.00 0.00 175.52 176.43 1sko h ALA 45 N 1.31 0.99 0.09 6.16 0.00 -0.98 0.65 119.26 127.48 1sko h ALA 45 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sko h ALA 45 Cb 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1sko h ALA 45 CO -0.23 0.45 -0.10 0.00 0.00 0.00 0.00 179.25 179.38 1sko h ALA 46 N 1.25 -0.18 -0.61 0.00 0.00 -0.29 -1.70 119.26 117.73 1sko h ALA 46 Ca 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1sko h ALA 46 Cb -0.04 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1sko h ALA 46 CO -0.05 -0.62 0.37 0.82 0.00 0.00 0.00 179.25 179.77 1sko h ILE 47 N -0.21 1.18 -0.66 0.00 2.04 -0.87 -1.58 117.51 117.41 1sko h ILE 47 Ca 0.01 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1sko h ILE 47 Cb 0.21 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1sko h ILE 47 CO -0.03 0.18 0.43 0.00 0.00 0.00 0.00 178.15 178.73 1sko h ALA 48 N 1.19 0.83 -1.00 1.87 0.00 -0.74 -0.47 119.26 120.94 1sko h ALA 48 Ca 0.22 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1sko h ALA 48 Cb -0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1sko h ALA 48 CO -0.04 0.27 0.67 0.66 0.00 0.00 0.00 179.25 180.80 1sko h SER 49 N 0.89 1.15 -0.37 0.00 4.64 -1.09 -1.01 113.55 117.76 1sko h SER 49 Ca 0.24 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 1sko h SER 49 Cb -0.10 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.69 1sko h SER 49 CO -0.05 0.83 0.00 0.78 -0.87 0.00 0.00 176.83 177.52 1sko h ASN 50 N 1.36 0.65 -0.27 4.97 2.35 -0.43 -1.18 115.58 123.03 1sko h ASN 50 Ca 0.37 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1sko h ASN 50 Cb -0.15 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 1sko h ASN 50 CO -0.08 0.80 0.01 0.40 -1.65 0.00 0.00 177.43 176.90 1sko h ILE 51 N 0.48 1.25 -0.31 2.81 2.04 -0.86 -1.47 117.51 121.45 1sko h ILE 51 Ca 0.11 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1sko h ILE 51 Cb 0.46 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1sko h ILE 51 CO 0.02 0.29 0.15 -0.25 0.00 0.00 0.00 178.15 178.35 1sko h TRP 52 N 0.27 0.27 -0.45 1.37 2.91 -1.18 -2.65 115.95 116.48 1sko h TRP 52 Ca 0.08 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.12 1sko h TRP 52 Cb 0.41 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.95 1sko h TRP 52 CO 0.03 0.15 0.29 0.00 -1.03 0.00 0.00 178.44 177.88 1sko h ALA 53 N 1.16 0.58 -0.43 2.65 0.00 -1.13 0.16 119.26 122.25 1sko h ALA 53 Ca 0.13 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1sko h ALA 53 Cb 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1sko h ALA 53 CO -0.09 -0.01 0.14 0.00 0.00 0.00 0.00 179.25 179.29 1sko h ALA 54 N 1.18 0.50 0.00 0.00 0.00 -1.10 -2.19 119.26 117.65 1sko h ALA 54 Ca 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1sko h ALA 54 Cb -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sko h ALA 54 CO -0.06 -0.25 -0.28 1.88 0.00 0.00 0.00 179.25 180.54 1sko h TYR 55 N 0.30 0.00 0.09 0.00 -1.99 -1.31 -3.36 116.97 110.70 1sko h TYR 55 Ca 0.20 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.67 1sko h TYR 55 Cb 0.20 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.94 1sko h TYR 55 CO -0.16 0.05 -1.15 0.22 -0.00 0.00 0.00 178.16 177.11 1sko h ASP 56 N 0.00 0.51 -3.16 3.88 -0.00 -0.32 -3.46 116.42 113.88 1sko h ASP 56 Ca -0.00 -0.49 -0.58 0.00 -0.00 0.00 0.00 57.03 55.96 1sko h ASP 56 Cb 1.04 -0.16 -0.06 0.00 -0.00 0.00 0.00 39.33 40.15 1sko h ASP 56 CO 0.01 1.34 0.68 -0.13 -0.00 0.00 0.00 179.24 181.14 1sko s ARG 57 N -2.88 4.30 -0.07 0.28 0.52 -0.86 -4.39 118.95 115.85 1sko s ARG 57 Ca -0.05 1.30 -0.21 0.00 -0.52 0.00 0.00 55.73 56.25 1sko s ARG 57 Cb 0.07 -3.61 0.04 0.00 0.52 0.00 0.00 34.95 31.98 1sko s ARG 57 CO 0.88 -0.52 0.48 1.21 0.02 0.00 0.00 175.30 177.37 1sko s ASN 58 N 1.18 -0.43 0.00 0.23 3.04 -1.26 -4.98 114.94 112.73 1sko s ASN 58 Ca 0.44 0.52 0.00 0.00 0.04 0.00 0.00 52.86 53.86 1sko s ASN 58 Cb -0.16 0.56 0.00 0.00 -1.54 0.00 0.00 41.25 40.11 1sko s ASN 58 CO 0.10 -0.44 0.00 0.61 -3.04 0.00 0.00 177.10 174.33 1sko n GLY 59 N 1.52 3.14 2.33 1.21 0.00 -1.26 -4.75 105.19 107.38 1sko n GLY 59 Ca -0.19 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1sko n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sko n ASN 60 N 0.00 -3.46 -0.11 1.61 3.02 -1.26 -4.74 115.26 110.32 1sko n ASN 60 Ca 0.00 0.24 -0.18 0.00 -0.03 0.00 0.00 54.58 54.60 1sko n ASN 60 Cb 0.00 -3.01 -0.10 0.00 -0.61 0.00 0.00 39.78 36.06 1sko n ASN 60 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1sko n GLN 61 N -2.57 0.54 0.00 3.52 7.27 -1.26 -5.07 117.38 119.81 1sko n GLN 61 Ca -0.13 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1sko n GLN 61 Cb 0.55 -1.41 0.00 0.00 2.41 0.00 0.00 30.24 31.79 1sko n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sko n ALA 62 N -3.41 3.00 0.04 1.69 0.00 -1.26 -5.09 120.51 115.47 1sko n ALA 62 Ca -0.41 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 1sko n ALA 62 Cb 0.89 0.01 -0.14 0.00 0.00 0.00 0.00 19.45 20.21 1sko n ALA 62 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1sko h PHE 63 N 0.00 0.47 -2.88 0.00 3.57 -1.98 -3.43 116.94 112.68 1sko h PHE 63 Ca 0.00 -0.34 -0.66 0.00 3.53 0.00 0.00 57.97 60.50 1sko h PHE 63 Cb 0.00 -0.02 -0.17 0.00 2.79 0.00 0.00 35.95 38.55 1sko h PHE 63 CO 0.00 1.53 0.32 1.21 -2.23 0.00 0.00 178.31 179.14 1sko s ASN 64 N -6.96 6.20 0.18 0.41 2.47 -1.26 -5.03 114.94 110.95 1sko s ASN 64 Ca -0.14 -1.08 -0.31 0.00 0.42 0.00 0.00 52.86 51.75 1sko s ASN 64 Cb 0.07 -2.36 -0.10 0.00 -1.45 0.00 0.00 41.25 37.41 1sko s ASN 64 CO 0.82 -1.23 1.48 -0.70 -3.72 0.00 0.00 177.10 173.75 1sko s GLU 65 N 3.35 4.26 -0.44 0.43 2.12 -1.26 -4.95 118.70 122.21 1sko s GLU 65 Ca 0.18 2.27 0.07 0.00 0.36 0.00 0.00 54.97 57.85 1sko s GLU 65 Cb -0.19 -3.16 0.26 0.00 0.26 0.00 0.00 34.13 31.29 1sko s GLU 65 CO 0.10 -0.49 0.75 -3.47 -0.54 0.00 0.00 175.26 171.61 1sko n ASP 66 N 3.35 -1.41 -4.89 -1.70 -0.08 -1.26 -5.10 116.55 105.46 1sko n ASP 66 Ca 0.11 -3.08 -0.29 0.00 -1.51 0.00 0.00 54.79 50.02 1sko n ASP 66 Cb 0.40 0.72 0.00 0.00 2.34 0.00 0.00 41.12 44.58 1sko n ASP 66 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1sko s SER 67 N -1.51 6.27 0.14 1.67 1.04 -1.26 -4.99 113.70 115.05 1sko s SER 67 Ca 0.33 1.13 -0.31 0.00 0.48 0.00 0.00 55.95 57.57 1sko s SER 67 Cb 0.22 -2.34 -0.09 0.00 0.10 0.00 0.00 66.02 63.91 1sko s SER 67 CO -0.17 -0.68 1.51 -0.22 0.98 0.00 0.00 173.24 174.66 1sko s LEU 68 N -4.85 4.37 -0.08 2.42 2.96 -1.26 -4.93 118.68 117.31 1sko s LEU 68 Ca 0.50 2.50 0.05 0.00 -0.22 0.00 0.00 54.13 56.96 1sko s LEU 68 Cb -0.11 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 1sko s LEU 68 CO 0.47 -0.77 -0.01 0.29 -1.32 0.00 0.00 176.35 175.02 1sko n LYS 69 N 4.09 1.99 -3.67 1.98 4.76 -1.26 -5.01 118.16 121.04 1sko n LYS 69 Ca 0.13 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 1sko n LYS 69 Cb 0.40 -1.18 -0.08 0.00 -1.84 0.00 0.00 35.03 32.32 1sko n LYS 69 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1sko s PHE 70 N -2.18 -0.69 -0.04 2.13 5.36 -1.26 -4.26 117.98 117.04 1sko s PHE 70 Ca -0.06 1.61 0.05 0.00 -0.96 0.00 0.00 56.93 57.57 1sko s PHE 70 Cb 0.02 0.27 -0.01 0.00 -0.34 0.00 0.00 43.02 42.96 1sko s PHE 70 CO 0.27 -0.34 -0.20 0.42 -1.46 0.00 0.00 175.22 173.91 1sko s ILE 71 N 0.54 1.64 0.04 3.12 1.01 -0.21 -5.01 121.20 122.33 1sko s ILE 71 Ca -0.02 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.86 1sko s ILE 71 Cb -0.05 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1sko s ILE 71 CO -0.03 0.47 -0.22 -0.76 0.00 0.00 0.00 174.94 174.40 1sko s LEU 72 N -0.15 2.15 -0.06 2.97 1.43 -1.26 -1.66 118.68 122.11 1sko s LEU 72 Ca -0.01 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1sko s LEU 72 Cb -0.11 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1sko s LEU 72 CO 0.02 0.19 -0.16 -0.04 0.23 0.00 0.00 176.35 176.59 1sko s MET 73 N -1.13 1.89 -0.26 1.70 -1.94 0.47 -4.97 119.30 115.07 1sko s MET 73 Ca 0.08 -0.56 -0.09 0.00 -1.71 0.00 0.00 55.69 53.41 1sko s MET 73 Cb -0.09 -1.57 -0.04 0.00 2.01 0.00 0.00 34.83 35.14 1sko s MET 73 CO 0.02 0.15 0.13 0.34 -0.01 0.00 0.00 175.02 175.64 1sko s ASP 74 N 0.32 5.57 0.27 3.03 2.15 -1.26 -1.95 116.67 124.79 1sko s ASP 74 Ca -0.10 -0.10 0.12 0.00 0.43 0.00 0.00 52.55 52.90 1sko s ASP 74 Cb -0.14 -2.02 -0.05 0.00 -0.30 0.00 0.00 42.92 40.41 1sko s ASP 74 CO 0.04 -0.03 -0.20 0.00 -0.17 0.00 0.00 175.17 174.80 1sko h MET 76 N 2.32 0.47 -0.05 0.00 2.86 -2.02 -2.40 114.93 116.11 1sko h MET 76 Ca -0.40 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1sko h MET 76 Cb 1.26 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1sko h MET 76 CO 0.59 0.31 0.00 0.39 1.06 0.00 0.00 176.91 179.26 1sko n GLU 77 N -4.98 1.73 -3.50 1.72 1.02 -1.26 -4.89 120.64 110.49 1sko n GLU 77 Ca 0.21 -2.53 0.00 0.00 -0.02 0.00 0.00 57.16 54.82 1sko n GLU 77 Cb 0.60 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1sko n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sko n GLY 78 N -1.17 -1.99 3.10 0.62 0.00 -0.90 -4.42 105.19 100.43 1sko n GLY 78 Ca 0.16 -1.16 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 1sko n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sko s ARG 79 N -1.97 0.75 -0.03 1.61 0.52 0.01 -0.20 118.95 119.66 1sko s ARG 79 Ca 0.00 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 1sko s ARG 79 Cb 0.00 -0.70 0.01 0.00 0.52 0.00 0.00 34.95 34.78 1sko s ARG 79 CO 0.00 0.17 -0.07 0.08 0.02 0.00 0.00 175.30 175.50 1sko s VAL 80 N -0.90 0.63 0.02 3.52 1.01 -0.82 -0.50 120.40 123.37 1sko s VAL 80 Ca -0.01 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1sko s VAL 80 Cb -0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1sko s VAL 80 CO 0.01 0.21 -0.18 0.00 0.00 0.00 0.00 175.10 175.14 1sko s ALA 81 N 0.34 2.56 -0.04 5.51 0.00 -0.29 -0.39 121.76 129.43 1sko s ALA 81 Ca -0.05 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1sko s ALA 81 Cb -0.09 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.30 1sko s ALA 81 CO 0.00 0.56 -0.04 0.42 0.00 0.00 0.00 175.76 176.70 1sko s ILE 82 N -0.86 0.53 0.30 0.00 1.01 -0.66 -1.04 121.20 120.47 1sko s ILE 82 Ca 0.14 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.51 1sko s ILE 82 Cb -0.10 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.83 1sko s ILE 82 CO 0.04 0.22 0.63 0.28 0.00 0.00 0.00 174.94 176.11 1sko s THR 83 N 0.87 0.00 0.19 2.92 -1.32 -0.49 -1.05 115.64 116.76 1sko s THR 83 Ca -0.12 -1.20 -0.15 0.00 -1.21 0.00 0.00 61.69 59.01 1sko s THR 83 Cb -0.14 -2.34 -0.07 0.00 -1.51 0.00 0.00 72.50 68.44 1sko s THR 83 CO 0.00 0.00 0.61 -0.13 -2.21 0.00 0.00 174.62 172.89 1sko s ARG 84 N -3.49 4.03 -0.13 7.08 0.52 -1.26 -0.45 118.95 125.24 1sko s ARG 84 Ca 0.18 0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 55.94 1sko s ARG 84 Cb -0.03 -2.84 0.05 0.00 0.52 0.00 0.00 34.95 32.64 1sko s ARG 84 CO 0.10 0.41 0.04 0.54 0.02 0.00 0.00 175.30 176.41 1sko s VAL 85 N -1.56 0.30 0.00 3.52 0.11 0.75 -4.80 120.40 118.72 1sko s VAL 85 Ca 0.41 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1sko s VAL 85 Cb -0.15 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1sko s VAL 85 CO 0.20 -0.02 0.00 0.00 -3.33 0.00 0.00 175.10 171.95 1sko n ALA 86 N 5.15 0.00 -0.79 1.54 0.00 -1.26 0.07 120.51 125.22 1sko n ALA 86 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1sko n ALA 86 Cb 0.49 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.24 1sko n ALA 86 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sko n ASN 87 N 6.35 4.37 -4.76 0.00 5.15 -1.26 -4.97 115.26 120.15 1sko n ASN 87 Ca 0.00 -2.75 -0.31 0.00 -0.60 0.00 0.00 54.58 50.92 1sko n ASN 87 Cb 0.00 -0.54 -0.07 0.00 -0.53 0.00 0.00 39.78 38.63 1sko n ASN 87 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sko s LEU 88 N -2.38 2.49 0.01 1.20 1.43 0.11 -4.53 118.68 117.02 1sko s LEU 88 Ca 0.44 -1.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.09 1sko s LEU 88 Cb 0.33 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 1sko s LEU 88 CO 0.15 -0.81 -0.19 -0.76 0.23 0.00 0.00 176.35 174.97 1sko s LEU 89 N -3.91 2.52 -0.11 1.79 1.43 0.89 -0.18 118.68 121.11 1sko s LEU 89 Ca 0.16 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1sko s LEU 89 Cb 0.03 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1sko s LEU 89 CO 0.09 0.28 -0.12 -0.22 0.23 0.00 0.00 176.35 176.61 1sko s LEU 90 N -1.16 2.81 -0.07 1.79 0.20 0.40 -1.30 118.68 121.35 1sko s LEU 90 Ca 0.13 -0.26 0.04 0.00 0.69 0.00 0.00 54.13 54.73 1sko s LEU 90 Cb -0.10 -1.62 0.00 0.00 -0.43 0.00 0.00 46.19 44.04 1sko s LEU 90 CO 0.03 0.22 -0.18 0.00 -0.29 0.00 0.00 176.35 176.13 1sko s MET 92 N 0.31 1.98 -0.05 0.00 -1.94 -0.21 -0.23 119.30 119.16 1sko s MET 92 Ca -0.12 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.33 1sko s MET 92 Cb -0.15 -1.63 -0.02 0.00 2.01 0.00 0.00 34.83 35.04 1sko s MET 92 CO 0.05 0.16 -0.18 -0.47 -0.01 0.00 0.00 175.02 174.56 1sko s TYR 93 N 0.31 2.59 0.05 -0.03 5.04 0.18 -1.14 117.35 124.35 1sko s TYR 93 Ca -0.10 -0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 1sko s TYR 93 Cb -0.14 -1.60 -0.03 0.00 0.35 0.00 0.00 41.96 40.53 1sko s TYR 93 CO 0.04 0.09 -0.05 0.00 -1.34 0.00 0.00 175.55 174.29 1sko s ALA 94 N -0.62 0.55 0.65 3.97 0.00 0.35 -0.42 121.76 126.24 1sko s ALA 94 Ca 0.09 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1sko s ALA 94 Cb -0.11 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1sko s ALA 94 CO 0.00 -0.22 1.26 0.15 0.00 0.00 0.00 175.76 176.96 1sko s LYS 95 N -2.86 2.56 0.02 0.00 1.02 0.33 -0.81 119.74 120.01 1sko s LYS 95 Ca -0.00 1.95 0.04 0.00 0.02 0.00 0.00 55.97 57.97 1sko s LYS 95 Cb -0.01 -1.86 0.16 0.00 -0.52 0.00 0.00 37.83 35.61 1sko s LYS 95 CO -0.04 -1.56 1.11 0.39 -0.92 0.00 0.00 175.35 174.33 1sko n GLU 96 N -2.00 0.01 0.00 1.68 4.71 -1.26 -1.64 120.64 122.13 1sko n GLU 96 Ca 0.15 0.47 0.14 0.00 -0.01 0.00 0.00 57.16 57.90 1sko n GLU 96 Cb 0.49 -1.53 0.55 0.00 -1.01 0.00 0.00 31.44 29.95 1sko n GLU 96 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1sko n THR 97 N -1.54 0.00 -2.95 2.62 -2.24 -1.26 -4.80 114.28 104.10 1sko n THR 97 Ca 0.00 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 1sko n THR 97 Cb 0.03 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 1sko n THR 97 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sko s VAL 98 N -2.46 4.95 0.70 2.28 1.01 -0.65 -5.02 120.40 121.20 1sko s VAL 98 Ca 0.28 1.55 -0.17 0.00 0.00 0.00 0.00 61.98 63.64 1sko s VAL 98 Cb 0.20 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1sko s VAL 98 CO 0.48 0.12 1.25 0.61 0.00 0.00 0.00 175.10 177.56 1sko n GLY 99 N 3.35 0.35 0.36 4.51 0.00 -1.26 -4.82 105.19 107.68 1sko n GLY 99 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 1sko n GLY 99 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1sko h PHE 100 N 0.08 1.13 -0.33 1.61 0.05 -1.95 -1.43 116.94 116.09 1sko h PHE 100 Ca -0.49 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.29 1sko h PHE 100 Cb 1.33 -0.37 -0.02 0.00 2.00 0.00 0.00 35.95 38.89 1sko h PHE 100 CO 0.42 0.74 0.16 0.78 -0.18 0.00 0.00 178.31 180.23 1sko h GLY 101 N 1.20 0.52 1.20 -1.45 0.00 -1.99 -1.50 103.07 101.05 1sko h GLY 101 Ca 0.31 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 1sko h GLY 101 CO -0.06 0.25 -0.40 1.98 0.00 0.00 0.00 176.54 178.31 1sko h MET 102 N 0.40 0.87 -0.43 4.80 1.85 -1.87 -1.79 114.93 118.77 1sko h MET 102 Ca 0.11 -0.46 -0.04 0.00 -0.61 0.00 0.00 59.70 58.70 1sko h MET 102 Cb 0.13 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.16 1sko h MET 102 CO -0.01 1.11 0.09 1.25 -0.40 0.00 0.00 176.91 178.95 1sko h LEU 103 N 0.71 0.66 -0.40 3.39 5.85 -1.20 0.16 115.31 124.47 1sko h LEU 103 Ca 0.05 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1sko h LEU 103 Cb 0.98 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1sko h LEU 103 CO 0.09 0.73 0.24 0.50 -0.34 0.00 0.00 178.44 179.67 1sko h LYS 104 N 0.55 0.48 -0.36 1.25 3.64 -1.20 -0.52 116.57 120.42 1sko h LYS 104 Ca 0.13 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1sko h LYS 104 Cb 0.34 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1sko h LYS 104 CO 0.00 0.32 -0.10 0.00 -2.27 0.00 0.00 179.45 177.41 1sko h ALA 105 N 1.17 1.17 -0.36 5.00 0.00 -1.12 -1.20 119.26 123.92 1sko h ALA 105 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1sko h ALA 105 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sko h ALA 105 CO -0.06 0.53 0.14 0.87 0.00 0.00 0.00 179.25 180.73 1sko h LYS 106 N 0.56 0.54 -0.64 0.00 1.57 -0.51 -0.74 116.57 117.35 1sko h LYS 106 Ca 0.10 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1sko h LYS 106 Cb 0.50 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1sko h LYS 106 CO 0.03 0.53 0.30 0.00 -0.57 0.00 0.00 179.45 179.75 1sko h ALA 107 N 0.98 0.82 -0.49 3.86 0.00 -0.82 -2.37 119.26 121.24 1sko h ALA 107 Ca 0.12 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1sko h ALA 107 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sko h ALA 107 CO -0.01 0.39 -0.17 1.96 0.00 0.00 0.00 179.25 181.42 1sko h GLN 108 N 0.88 0.99 -0.59 0.00 4.20 -1.15 -0.56 115.11 118.88 1sko h GLN 108 Ca 0.22 -0.40 0.09 0.00 0.06 0.00 0.00 58.65 58.62 1sko h GLN 108 Cb 0.12 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.79 1sko h GLN 108 CO -0.03 1.08 0.19 0.00 -0.67 0.00 0.00 178.83 179.40 1sko h ALA 109 N 0.88 0.73 -0.33 3.87 0.00 -1.12 -0.51 119.26 122.78 1sko h ALA 109 Ca 0.12 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1sko h ALA 109 Cb 0.75 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1sko h ALA 109 CO 0.06 -0.23 -0.08 1.25 0.00 0.00 0.00 179.25 180.25 1sko h LEU 110 N 0.35 0.64 -0.08 0.00 5.85 -1.21 -2.33 115.31 118.53 1sko h LEU 110 Ca 0.30 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1sko h LEU 110 Cb 0.38 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1sko h LEU 110 CO -0.32 0.85 -0.27 0.58 -0.34 0.00 0.00 178.44 178.94 1sko h VAL 111 N 0.42 0.37 -0.89 1.05 2.07 -0.94 -0.34 116.25 117.99 1sko h VAL 111 Ca 0.08 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.80 1sko h VAL 111 Cb 0.57 0.37 -0.17 0.00 -1.52 0.00 0.00 31.29 30.55 1sko h VAL 111 CO 0.03 0.00 -0.13 1.56 0.02 0.00 0.00 177.57 179.06 1sko h GLN 112 N -0.37 0.02 -0.24 1.57 4.20 -1.06 0.80 115.11 120.03 1sko h GLN 112 Ca 0.09 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 1sko h GLN 112 Cb 0.50 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1sko h GLN 112 CO -0.29 0.01 -0.29 -0.92 -0.67 0.00 0.00 178.83 176.67 1sko h TYR 113 N 0.02 0.76 0.00 2.96 3.20 -0.80 -3.18 116.97 119.93 1sko h TYR 113 Ca 0.46 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1sko h TYR 113 Cb 0.79 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1sko h TYR 113 CO -0.60 0.97 0.00 -0.07 -1.64 0.00 0.00 178.16 176.82 1sko h LEU 114 N 0.34 0.00 -8.91 2.82 3.38 -0.37 -3.39 115.31 109.17 1sko h LEU 114 Ca 0.03 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.37 1sko h LEU 114 Cb 0.86 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 1sko h LEU 114 CO 0.07 0.00 -0.12 -1.61 0.09 0.00 0.00 178.44 176.87 1sko s GLU 115 N -3.36 3.95 -0.02 1.13 2.02 0.21 -3.02 118.70 119.61 1sko s GLU 115 Ca 0.05 0.10 0.20 0.00 0.02 0.00 0.00 54.97 55.34 1sko s GLU 115 Cb 0.08 -3.69 -0.30 0.00 0.10 0.00 0.00 34.13 30.32 1sko s GLU 115 CO 0.56 -0.38 0.48 0.39 0.02 0.00 0.00 175.26 176.34 1sko n GLU 116 N 5.48 0.60 -1.66 1.61 1.02 -1.26 -4.82 120.64 121.61 1sko n GLU 116 Ca -0.06 -0.17 -0.49 0.00 -0.02 0.00 0.00 57.16 56.43 1sko n GLU 116 Cb 0.50 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.40 1sko n GLU 116 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1sko n PRO 117 N -2.13 1.91 -0.13 3.49 -0.04 -1.17 -5.09 135.00 131.85 1sko n PRO 117 Ca -0.03 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1sko n PRO 117 Cb 0.51 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1sko n PRO 117 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74