#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3guy s ILE 2 N 0.00 3.88 -0.16 1.96 -1.09 -0.38 -0.38 121.20 125.03 3guy s ILE 2 Ca 0.00 -0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 3guy s ILE 2 Cb 0.00 -2.78 -0.05 0.00 -1.58 0.00 0.00 42.46 38.06 3guy s ILE 2 CO 0.00 0.40 0.19 -0.69 -1.23 0.00 0.00 174.94 173.61 3guy s VAL 3 N 1.31 5.38 -0.14 2.92 1.01 -0.36 -1.40 120.40 129.12 3guy s VAL 3 Ca 0.04 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3guy s VAL 3 Cb -0.15 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.75 3guy s VAL 3 CO 0.01 0.47 -0.11 -0.63 0.00 0.00 0.00 175.10 174.84 3guy s ILE 4 N 0.05 1.34 0.43 2.22 1.01 -0.74 -0.11 121.20 125.40 3guy s ILE 4 Ca 0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3guy s ILE 4 Cb -0.12 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3guy s ILE 4 CO 0.01 0.40 0.70 0.42 0.00 0.00 0.00 174.94 176.48 3guy s THR 5 N 1.58 4.97 -1.52 2.92 -4.23 -0.10 -0.80 115.64 118.46 3guy s THR 5 Ca 0.05 -0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.50 3guy s THR 5 Cb -0.13 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 69.87 3guy s THR 5 CO -0.10 -0.74 0.69 0.61 -0.54 0.00 0.00 174.62 174.55 3guy n GLY 6 N -2.05 -0.53 0.74 3.99 0.00 -1.06 -2.36 105.19 103.92 3guy n GLY 6 Ca -0.01 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.27 3guy n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3guy n ALA 7 N -3.79 2.49 0.18 4.61 0.00 -0.01 -3.57 120.51 120.43 3guy n ALA 7 Ca -0.09 -0.66 0.05 0.00 0.00 0.00 0.00 53.44 52.74 3guy n ALA 7 Cb 0.61 -1.02 0.32 0.00 0.00 0.00 0.00 19.45 19.36 3guy n ALA 7 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3guy h SER 8 N 2.94 0.00 -5.48 0.00 0.02 -1.91 -3.34 113.55 105.77 3guy h SER 8 Ca 0.00 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.16 3guy h SER 8 Cb 0.64 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 3guy h SER 8 CO 0.00 0.39 0.62 -0.94 -1.14 0.00 0.00 176.83 175.76 3guy s SER 9 N -6.48 -0.06 0.88 3.07 1.04 -1.26 -4.50 113.70 106.39 3guy s SER 9 Ca -0.00 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3guy s SER 9 Cb 0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3guy s SER 9 CO 0.69 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.72 3guy n GLY 10 N -0.62 1.91 0.17 7.32 0.00 -1.26 -3.22 105.19 109.49 3guy n GLY 10 Ca -0.04 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 3guy n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3guy h LEU 11 N 0.00 -0.38 -0.77 0.99 5.85 -1.85 -1.78 115.31 117.38 3guy h LEU 11 Ca 0.00 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.93 3guy h LEU 11 Cb 0.00 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 3guy h LEU 11 CO 0.00 -0.15 0.38 1.23 -0.34 0.00 0.00 178.44 179.57 3guy h GLY 12 N -0.08 1.18 1.14 3.75 0.00 -1.65 -0.46 103.07 106.95 3guy h GLY 12 Ca 0.13 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 3guy h GLY 12 CO -0.29 0.02 -0.34 0.00 0.00 0.00 0.00 176.54 175.93 3guy h ALA 13 N 1.48 0.61 -0.16 3.60 0.00 -1.35 -1.90 119.26 121.54 3guy h ALA 13 Ca 0.39 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3guy h ALA 13 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3guy h ALA 13 CO -0.31 0.68 -0.37 0.93 0.00 0.00 0.00 179.25 180.17 3guy h GLU 14 N 0.79 0.35 -0.42 0.00 4.39 -0.88 -2.08 114.58 116.73 3guy h GLU 14 Ca 0.07 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3guy h GLU 14 Cb 0.93 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 3guy h GLU 14 CO 0.09 0.68 0.07 -0.07 -1.16 0.00 0.00 179.01 178.62 3guy h LEU 15 N 0.30 0.66 -0.42 1.33 3.38 -0.98 -2.49 115.31 117.09 3guy h LEU 15 Ca 0.03 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.82 3guy h LEU 15 Cb 0.80 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3guy h LEU 15 CO 0.06 0.75 0.04 0.00 0.09 0.00 0.00 178.44 179.38 3guy h ALA 16 N 0.94 0.42 -0.66 1.53 0.00 -1.00 -0.76 119.26 119.74 3guy h ALA 16 Ca 0.13 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3guy h ALA 16 Cb 0.37 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 3guy h ALA 16 CO 0.01 -0.36 0.33 0.87 0.00 0.00 0.00 179.25 180.10 3guy h LYS 17 N 0.15 0.58 -0.26 0.00 1.57 -1.30 -0.20 116.57 117.11 3guy h LYS 17 Ca 0.21 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 3guy h LYS 17 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3guy h LYS 17 CO -0.32 0.38 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.74 3guy h LEU 18 N 0.59 0.56 -0.47 2.94 3.38 -0.86 -1.59 115.31 119.86 3guy h LEU 18 Ca 0.31 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3guy h LEU 18 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3guy h LEU 18 CO -0.23 0.86 0.20 1.88 0.09 0.00 0.00 178.44 181.24 3guy h TYR 19 N 0.27 0.71 -0.92 1.13 0.05 -1.02 -2.89 116.97 114.30 3guy h TYR 19 Ca 0.06 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.85 3guy h TYR 19 Cb 0.65 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 38.11 3guy h TYR 19 CO 0.06 0.59 0.60 0.22 -1.05 0.00 0.00 178.16 178.59 3guy h ASP 20 N 0.62 0.93 0.46 3.88 3.58 -0.92 -2.31 116.42 122.67 3guy h ASP 20 Ca 0.16 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3guy h ASP 20 Cb 0.18 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 3guy h ASP 20 CO -0.01 0.59 -0.03 0.00 -2.88 0.00 0.00 179.24 176.91 3guy h ALA 21 N 1.50 1.07 -0.60 -0.78 0.00 -1.07 -1.70 119.26 117.68 3guy h ALA 21 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3guy h ALA 21 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3guy h ALA 21 CO -0.15 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.52 3guy n GLU 22 N -3.23 3.46 -0.69 0.00 1.02 -0.90 -4.93 120.64 115.37 3guy n GLU 22 Ca -0.01 -2.60 0.00 0.00 -0.02 0.00 0.00 57.16 54.53 3guy n GLU 22 Cb 0.20 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 3guy n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3guy n GLY 23 N 1.10 0.63 3.77 0.62 0.00 -0.64 -5.02 105.19 105.65 3guy n GLY 23 Ca 0.24 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3guy n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3guy s LYS 24 N -0.62 4.07 0.17 1.61 1.02 -1.01 -5.00 119.74 119.98 3guy s LYS 24 Ca 0.00 0.14 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 3guy s LYS 24 Cb 0.00 -3.35 -0.10 0.00 -0.52 0.00 0.00 37.83 33.86 3guy s LYS 24 CO 0.00 0.41 1.55 0.00 -0.92 0.00 0.00 175.35 176.39 3guy s ALA 25 N -0.06 3.76 0.20 5.17 0.00 -1.26 -4.11 121.76 125.45 3guy s ALA 25 Ca 0.18 1.36 0.11 0.00 0.00 0.00 0.00 51.96 53.61 3guy s ALA 25 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3guy s ALA 25 CO 0.06 -0.77 -0.21 0.95 0.00 0.00 0.00 175.76 175.79 3guy s THR 26 N 1.02 2.50 -0.08 0.00 -4.23 -1.25 -1.24 115.64 112.35 3guy s THR 26 Ca 0.69 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3guy s THR 26 Cb -0.43 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3guy s THR 26 CO 0.32 -0.13 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.77 3guy s TYR 27 N -1.71 1.00 -0.01 3.99 5.04 -0.50 -0.25 117.35 124.91 3guy s TYR 27 Ca 0.22 -0.39 0.02 0.00 -2.44 0.00 0.00 57.07 54.48 3guy s TYR 27 Cb -0.08 -0.96 -0.03 0.00 0.35 0.00 0.00 41.96 41.24 3guy s TYR 27 CO 0.11 -0.38 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.39 3guy s LEU 28 N 1.73 3.35 0.08 6.97 1.43 -0.79 -1.79 118.68 129.66 3guy s LEU 28 Ca 0.03 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3guy s LEU 28 Cb -0.13 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3guy s LEU 28 CO -0.06 0.29 -0.06 0.28 0.23 0.00 0.00 176.35 177.04 3guy s THR 29 N -1.02 0.53 0.00 5.49 -1.32 0.02 -1.38 115.64 117.95 3guy s THR 29 Ca 0.18 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 3guy s THR 29 Cb -0.11 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 3guy s THR 29 CO 0.08 -0.84 0.00 0.61 -2.21 0.00 0.00 174.62 172.27 3guy n GLY 30 N 0.23 -0.96 0.10 6.08 0.00 -1.25 -0.83 105.19 108.56 3guy n GLY 30 Ca -0.14 -1.00 0.03 0.00 0.00 0.00 0.00 46.02 44.91 3guy n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3guy n ARG 31 N -0.00 0.62 -3.68 1.61 1.74 -1.26 -1.42 116.66 114.27 3guy n ARG 31 Ca 0.00 0.20 -0.39 0.00 -0.77 0.00 0.00 57.85 56.89 3guy n ARG 31 Cb 0.00 -1.81 -0.12 0.00 -1.02 0.00 0.00 32.46 29.51 3guy n ARG 31 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3guy s SER 32 N -5.67 5.46 0.24 0.55 0.15 -1.26 -4.66 113.70 108.50 3guy s SER 32 Ca -0.02 -0.81 -0.07 0.00 0.70 0.00 0.00 55.95 55.75 3guy s SER 32 Cb 0.09 -1.96 0.22 0.00 -1.71 0.00 0.00 66.02 62.66 3guy s SER 32 CO 0.81 -0.27 1.91 -0.08 1.20 0.00 0.00 173.24 176.80 3guy h GLU 33 N 8.33 1.22 -0.49 5.44 4.57 -1.95 -1.05 114.58 130.64 3guy h GLU 33 Ca -0.29 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 57.79 3guy h GLU 33 Cb 1.12 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 3guy h GLU 33 CO 0.63 0.81 0.20 0.66 -1.18 0.00 0.00 179.01 180.13 3guy h SER 34 N 1.25 0.67 -0.64 1.04 4.64 -2.00 -0.43 113.55 118.09 3guy h SER 34 Ca 0.34 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3guy h SER 34 Cb -0.13 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.76 3guy h SER 34 CO -0.07 0.65 0.15 0.11 -0.87 0.00 0.00 176.83 176.80 3guy h LYS 35 N 0.65 1.03 -0.70 4.77 1.57 -1.83 -2.25 116.57 119.80 3guy h LYS 35 Ca 0.16 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3guy h LYS 35 Cb 0.19 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3guy h LYS 35 CO -0.01 0.93 0.46 -0.07 -0.57 0.00 0.00 179.45 180.19 3guy h LEU 36 N 0.94 0.75 -0.01 2.94 3.38 -0.85 -0.35 115.31 122.11 3guy h LEU 36 Ca 0.20 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3guy h LEU 36 Cb 0.37 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3guy h LEU 36 CO 0.00 0.52 0.01 -1.28 0.09 0.00 0.00 178.44 177.78 3guy h SER 37 N 0.88 0.02 -0.70 -0.43 0.87 -0.52 -1.00 113.55 112.66 3guy h SER 37 Ca 0.27 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3guy h SER 37 Cb 0.02 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3guy h SER 37 CO -0.07 0.15 0.23 0.71 -0.53 0.00 0.00 176.83 177.31 3guy h THR 38 N -0.12 1.26 -0.32 2.23 1.35 -0.90 -1.78 112.91 114.62 3guy h THR 38 Ca 0.00 -0.87 0.01 0.00 -0.55 0.00 0.00 66.41 65.00 3guy h THR 38 Cb 0.14 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 3guy h THR 38 CO -0.00 0.34 0.18 0.58 -0.25 0.00 0.00 175.52 176.37 3guy h VAL 39 N 1.03 1.03 -0.25 6.82 2.07 -0.98 -2.82 116.25 123.14 3guy h VAL 39 Ca 0.23 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3guy h VAL 39 Cb 0.29 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3guy h VAL 39 CO -0.01 0.07 0.03 0.74 0.02 0.00 0.00 177.57 178.42 3guy h THR 40 N 0.38 1.14 0.00 2.57 2.02 -0.91 -2.34 112.91 115.78 3guy h THR 40 Ca 0.13 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 3guy h THR 40 Cb 0.01 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3guy h THR 40 CO -0.07 0.18 -0.00 0.78 0.37 0.00 0.00 175.52 176.79 3guy h ASN 41 N 0.36 0.00 -0.03 4.18 2.35 -1.06 -1.23 115.58 120.15 3guy h ASN 41 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3guy h ASN 41 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3guy h ASN 41 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3guy s LEU 43 N -1.90 3.51 0.00 0.00 1.43 -0.47 -5.04 118.68 116.22 3guy s LEU 43 Ca 0.40 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 3guy s LEU 43 Cb 0.20 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3guy s LEU 43 CO 0.32 0.10 0.20 -1.54 0.23 0.00 0.00 176.35 175.66 3guy n SER 44 N -0.06 0.26 0.00 2.29 3.41 -1.26 -4.74 113.62 113.52 3guy n SER 44 Ca -0.09 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 3guy n SER 44 Cb 0.54 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 3guy n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3guy n ASN 45 N -1.02 1.36 -4.74 4.04 3.02 -1.26 -5.06 115.26 111.60 3guy n ASN 45 Ca 0.01 -1.39 -0.42 0.00 -0.03 0.00 0.00 54.58 52.75 3guy n ASN 45 Cb 0.07 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 3guy n ASN 45 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3guy n ASN 46 N -0.19 3.35 -0.66 6.41 2.85 -1.26 -3.84 115.26 121.91 3guy n ASN 46 Ca 0.00 1.21 0.08 0.00 -0.11 0.00 0.00 54.58 55.76 3guy n ASN 46 Cb 0.11 -1.56 0.21 0.00 1.24 0.00 0.00 39.78 39.78 3guy n ASN 46 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 3guy n VAL 47 N 0.65 1.99 0.00 3.44 0.24 0.66 -4.88 118.33 120.42 3guy n VAL 47 Ca 0.04 -1.81 0.00 0.00 -2.04 0.00 0.00 64.34 60.53 3guy n VAL 47 Cb 0.37 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3guy n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3guy n GLY 48 N -0.56 2.96 3.52 7.63 0.00 -1.25 -4.96 105.19 112.54 3guy n GLY 48 Ca 0.18 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 3guy n GLY 48 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3guy s TYR 49 N -2.00 -0.42 -0.29 1.61 -0.85 -1.26 -1.88 117.35 112.25 3guy s TYR 49 Ca 0.00 0.18 -0.16 0.00 -0.52 0.00 0.00 57.07 56.58 3guy s TYR 49 Cb 0.00 0.58 0.16 0.00 0.38 0.00 0.00 41.96 43.08 3guy s TYR 49 CO 0.00 -0.85 0.99 0.50 -1.52 0.00 0.00 175.55 174.67 3guy s ARG 50 N -3.62 0.33 0.26 -3.49 3.52 -0.48 -4.93 118.95 110.54 3guy s ARG 50 Ca 0.04 0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 56.02 3guy s ARG 50 Cb -0.02 0.24 -0.10 0.00 -1.56 0.00 0.00 34.95 33.51 3guy s ARG 50 CO -0.08 -0.09 1.40 0.00 -0.81 0.00 0.00 175.30 175.72 3guy s ALA 51 N 1.84 3.59 0.01 6.12 0.00 -1.26 -3.75 121.76 128.31 3guy s ALA 51 Ca -0.06 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 3guy s ALA 51 Cb -0.05 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 3guy s ALA 51 CO -0.16 -0.70 0.00 1.03 0.00 0.00 0.00 175.76 175.94 3guy s ARG 52 N -0.57 0.27 -0.58 0.00 1.81 -0.50 -4.93 118.95 114.44 3guy s ARG 52 Ca 0.57 -0.44 -0.23 0.00 -1.72 0.00 0.00 55.73 53.91 3guy s ARG 52 Cb -0.41 0.10 0.05 0.00 -0.45 0.00 0.00 34.95 34.25 3guy s ARG 52 CO 0.44 -0.05 0.91 0.34 -0.68 0.00 0.00 175.30 176.26 3guy s ASP 53 N -1.13 6.27 0.31 0.23 -1.08 -1.26 -4.34 116.67 115.67 3guy s ASP 53 Ca -0.12 -0.64 0.25 0.00 -0.52 0.00 0.00 52.55 51.52 3guy s ASP 53 Cb -0.08 -2.41 1.09 0.00 -1.46 0.00 0.00 42.92 40.07 3guy s ASP 53 CO -0.00 -1.26 1.75 -0.07 0.52 0.00 0.00 175.17 176.11 3guy h LEU 54 N 10.94 0.00 -0.14 -1.34 3.38 -1.95 -2.06 115.31 124.15 3guy h LEU 54 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3guy h LEU 54 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3guy h LEU 54 CO 1.10 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.63 3guy n ALA 55 N -1.82 2.06 -2.52 1.53 0.00 -1.26 -4.13 120.51 114.38 3guy n ALA 55 Ca 0.01 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 3guy n ALA 55 Cb 0.20 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.16 3guy n ALA 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3guy s SER 56 N -3.71 6.29 0.31 0.00 0.15 -0.77 -4.89 113.70 111.08 3guy s SER 56 Ca 0.10 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.40 3guy s SER 56 Cb 0.13 -2.28 0.51 0.00 -1.71 0.00 0.00 66.02 62.67 3guy s SER 56 CO 0.47 -0.64 1.96 1.12 1.20 0.00 0.00 173.24 177.35 3guy h HIS 57 N 8.72 0.91 -0.25 3.44 2.07 -1.86 -2.22 115.15 125.97 3guy h HIS 57 Ca -0.26 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.30 3guy h HIS 57 Cb 1.11 -0.30 -0.04 0.00 2.57 0.00 0.00 27.41 30.75 3guy h HIS 57 CO 0.70 0.61 -0.03 1.96 -3.07 0.00 0.00 177.93 178.10 3guy h GLN 58 N 0.96 0.04 -0.69 5.12 7.50 -1.94 0.46 115.11 126.55 3guy h GLN 58 Ca 0.25 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.38 3guy h GLN 58 Cb -0.03 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.46 3guy h GLN 58 CO -0.05 0.03 0.38 0.93 -1.50 0.00 0.00 178.83 178.62 3guy h GLU 59 N 0.04 0.95 -0.35 1.46 5.08 -1.71 -1.70 114.58 118.35 3guy h GLU 59 Ca 0.12 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 3guy h GLU 59 Cb 0.17 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3guy h GLU 59 CO -0.22 0.70 -0.34 0.28 -1.00 0.00 0.00 179.01 178.43 3guy h VAL 60 N 0.96 1.28 -0.52 3.13 2.07 -1.01 -1.07 116.25 121.10 3guy h VAL 60 Ca 0.24 -1.51 0.09 0.00 0.82 0.00 0.00 66.70 66.35 3guy h VAL 60 Cb 0.03 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3guy h VAL 60 CO -0.04 0.50 0.11 -0.08 0.02 0.00 0.00 177.57 178.08 3guy h GLU 61 N 0.63 0.25 -0.29 1.57 4.22 -0.69 -2.51 114.58 117.76 3guy h GLU 61 Ca 0.06 -0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.42 3guy h GLU 61 Cb 0.92 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 3guy h GLU 61 CO 0.08 0.16 -0.10 1.96 -2.18 0.00 0.00 179.01 178.94 3guy h GLN 62 N 0.25 0.48 -0.26 1.92 1.08 -1.06 -1.37 115.11 116.16 3guy h GLN 62 Ca 0.26 -0.13 0.06 0.00 -1.45 0.00 0.00 58.65 57.39 3guy h GLN 62 Cb 0.35 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 3guy h GLN 62 CO -0.33 0.59 -0.10 1.25 -0.95 0.00 0.00 178.83 179.29 3guy h LEU 63 N 0.45 -0.34 0.02 1.46 5.85 -0.75 -2.23 115.31 119.77 3guy h LEU 63 Ca 0.09 0.09 -0.24 0.00 0.84 0.00 0.00 57.88 58.66 3guy h LEU 63 Cb 0.45 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3guy h LEU 63 CO 0.02 -0.13 -1.10 -0.26 -0.34 0.00 0.00 178.44 176.64 3guy h PHE 64 N -0.05 0.28 -0.39 1.25 0.04 -1.41 -3.33 116.94 113.32 3guy h PHE 64 Ca 0.13 -0.19 0.05 0.00 2.80 0.00 0.00 57.97 60.76 3guy h PHE 64 Cb 0.25 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 3guy h PHE 64 CO -0.28 1.13 0.11 1.49 -0.60 0.00 0.00 178.31 180.16 3guy h GLU 65 N 0.05 0.25 0.00 1.51 4.57 -1.02 -2.18 114.58 117.76 3guy h GLU 65 Ca -0.07 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3guy h GLU 65 Cb 1.83 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 3guy h GLU 65 CO 0.17 0.16 0.00 1.04 -1.18 0.00 0.00 179.01 179.20 3guy n GLN 66 N -5.05 0.10 -2.05 1.92 1.13 -0.86 -4.82 117.38 107.75 3guy n GLN 66 Ca 0.02 0.20 -0.36 0.00 -1.94 0.00 0.00 57.00 54.92 3guy n GLN 66 Cb 0.16 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.04 3guy n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3guy s LEU 67 N -2.80 3.73 0.11 1.08 1.02 -0.82 -4.95 118.68 116.06 3guy s LEU 67 Ca 0.11 2.39 0.19 0.00 0.02 0.00 0.00 54.13 56.83 3guy s LEU 67 Cb 0.10 -4.53 -0.09 0.00 0.02 0.00 0.00 46.19 41.69 3guy s LEU 67 CO 0.25 -1.47 0.90 0.47 0.02 0.00 0.00 176.35 176.53 3guy n ASP 68 N -1.38 0.86 -3.34 2.29 8.00 -1.26 -4.97 116.55 116.75 3guy n ASP 68 Ca 0.12 0.36 -0.17 0.00 0.71 0.00 0.00 54.79 55.81 3guy n ASP 68 Cb 0.49 0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.80 3guy n ASP 68 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3guy s SER 69 N -5.62 1.27 -0.14 -2.24 1.04 -1.26 -5.13 113.70 101.62 3guy s SER 69 Ca -0.02 -1.62 -0.26 0.00 0.48 0.00 0.00 55.95 54.53 3guy s SER 69 Cb 0.09 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 3guy s SER 69 CO 0.80 -1.16 0.87 -0.63 0.98 0.00 0.00 173.24 174.10 3guy s ILE 70 N -3.29 4.87 0.47 -1.02 1.09 -1.26 -5.03 121.20 117.03 3guy s ILE 70 Ca 0.36 1.73 -0.25 0.00 -1.10 0.00 0.00 60.65 61.39 3guy s ILE 70 Cb 0.01 -4.18 -0.08 0.00 -1.06 0.00 0.00 42.46 37.16 3guy s ILE 70 CO 0.24 0.04 1.42 -2.16 -0.10 0.00 0.00 174.94 174.38 3guy s PRO 71 N 2.00 3.56 -0.15 2.79 0.04 -1.26 -4.60 135.00 137.37 3guy s PRO 71 Ca 0.41 2.40 0.16 0.00 0.04 0.00 0.00 61.00 64.01 3guy s PRO 71 Cb -0.17 -2.57 -0.24 0.00 0.04 0.00 0.00 34.50 31.55 3guy s PRO 71 CO 0.14 -0.91 0.25 -1.13 0.04 0.00 0.00 177.00 175.39 3guy n SER 72 N -0.37 0.30 -4.04 6.66 3.41 0.49 -4.69 113.62 115.38 3guy n SER 72 Ca 0.06 0.13 -0.19 0.00 -0.26 0.00 0.00 58.87 58.61 3guy n SER 72 Cb 0.42 0.65 -0.14 0.00 -0.26 0.00 0.00 64.21 64.88 3guy n SER 72 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3guy s THR 73 N -2.52 0.75 -0.11 6.66 2.01 -1.10 -1.72 115.64 119.61 3guy s THR 73 Ca -0.09 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.44 3guy s THR 73 Cb 0.07 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.95 3guy s THR 73 CO 0.83 0.16 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.08 3guy s VAL 74 N -0.33 1.45 -0.26 3.82 1.01 -0.23 -1.23 120.40 124.63 3guy s VAL 74 Ca 0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3guy s VAL 74 Cb -0.04 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3guy s VAL 74 CO -0.00 0.43 0.00 -0.69 0.00 0.00 0.00 175.10 174.84 3guy s VAL 75 N 1.13 3.41 -0.48 2.92 1.01 0.84 0.18 120.40 129.42 3guy s VAL 75 Ca -0.04 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 3guy s VAL 75 Cb -0.14 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.60 3guy s VAL 75 CO -0.04 0.19 0.40 -2.28 0.00 0.00 0.00 175.10 173.37 3guy s HIS 76 N 1.42 3.26 -0.01 5.22 2.46 0.22 -0.93 115.29 126.93 3guy s HIS 76 Ca 0.02 -1.05 0.01 0.00 0.47 0.00 0.00 55.06 54.51 3guy s HIS 76 Cb -0.16 -3.26 0.02 0.00 -0.13 0.00 0.00 32.58 29.04 3guy s HIS 76 CO -0.01 -0.84 0.98 -1.13 -2.47 0.00 0.00 174.74 171.27 3guy n SER 77 N 5.18 1.90 -4.76 9.88 3.41 -1.00 -1.51 113.62 126.72 3guy n SER 77 Ca -0.12 -2.00 -0.41 0.00 -0.26 0.00 0.00 58.87 56.07 3guy n SER 77 Cb 0.43 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 3guy n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3guy s ALA 78 N -1.04 3.62 0.00 7.33 0.00 -1.23 -4.55 121.76 125.88 3guy s ALA 78 Ca 0.02 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3guy s ALA 78 Cb 0.01 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3guy s ALA 78 CO 0.00 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.27 3guy n GLY 79 N 1.34 -1.45 3.56 0.00 0.00 -1.25 -4.82 105.19 102.57 3guy n GLY 79 Ca 0.04 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 3guy n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3guy s SER 80 N -0.13 -0.37 0.27 1.61 1.04 -1.26 -4.95 113.70 109.91 3guy s SER 80 Ca 0.00 -0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.38 3guy s SER 80 Cb 0.00 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 3guy s SER 80 CO 0.00 -0.84 0.09 -0.83 0.98 0.00 0.00 173.24 172.65 3guy s GLY 81 N -2.68 1.60 -0.28 7.32 0.00 -1.26 -4.89 107.32 107.13 3guy s GLY 81 Ca 0.06 -1.59 -0.24 0.00 0.00 0.00 0.00 44.72 42.95 3guy s GLY 81 CO -0.06 -1.63 0.88 -0.47 0.00 0.00 0.00 173.10 171.82 3guy s TYR 82 N -2.27 -0.65 0.14 1.90 5.04 -1.26 -5.02 117.35 115.23 3guy s TYR 82 Ca 0.33 1.53 -0.03 0.00 -2.44 0.00 0.00 57.07 56.46 3guy s TYR 82 Cb -0.06 0.34 -0.03 0.00 0.35 0.00 0.00 41.96 42.56 3guy s TYR 82 CO 0.22 -0.31 0.12 -0.06 -1.34 0.00 0.00 175.55 174.18 3guy s PHE 83 N 0.46 0.78 0.00 4.97 0.08 -1.26 -4.49 117.98 118.52 3guy s PHE 83 Ca 0.00 -1.14 0.00 0.00 0.12 0.00 0.00 56.93 55.92 3guy s PHE 83 Cb -0.05 -0.38 0.00 0.00 -0.57 0.00 0.00 43.02 42.02 3guy s PHE 83 CO -0.05 -0.58 0.00 0.41 -0.10 0.00 0.00 175.22 174.90 3guy n GLY 84 N -0.14 3.48 3.75 4.36 0.00 -0.41 -4.89 105.19 111.34 3guy n GLY 84 Ca -0.05 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 3guy n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3guy s LEU 85 N 0.00 3.83 0.17 0.99 1.43 -1.26 -4.35 118.68 119.48 3guy s LEU 85 Ca 0.00 2.76 -0.15 0.00 -1.03 0.00 0.00 54.13 55.71 3guy s LEU 85 Cb 0.00 -4.29 0.07 0.00 0.03 0.00 0.00 46.19 41.99 3guy s LEU 85 CO 0.00 -1.60 1.81 0.25 0.23 0.00 0.00 176.35 177.03 3guy h LEU 86 N 1.40 0.44 -2.05 1.79 5.85 -1.97 -0.05 115.31 120.72 3guy h LEU 86 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3guy h LEU 86 Cb 1.30 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3guy h LEU 86 CO 0.57 0.31 0.00 0.06 -0.34 0.00 0.00 178.44 179.04 3guy h GLN 87 N 0.54 0.00 0.00 1.25 -0.00 -2.04 -1.62 115.11 113.24 3guy h GLN 87 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.83 3guy h GLN 87 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 3guy h GLN 87 CO -0.08 0.00 -0.81 0.39 -0.00 0.00 0.00 178.83 178.33 3guy n GLU 88 N -2.69 0.33 -2.59 0.06 -0.58 -0.05 -4.96 120.64 110.17 3guy n GLU 88 Ca -0.02 0.06 -0.38 0.00 -0.42 0.00 0.00 57.16 56.41 3guy n GLU 88 Cb 0.09 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.24 3guy n GLU 88 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3guy s GLN 89 N -3.21 4.44 -0.10 3.49 -0.21 -0.61 -4.98 119.66 118.49 3guy s GLN 89 Ca 0.04 1.55 -0.23 0.00 0.02 0.00 0.00 55.36 56.74 3guy s GLN 89 Cb 0.13 -2.83 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 3guy s GLN 89 CO 0.76 0.10 0.71 0.34 -2.12 0.00 0.00 175.29 175.07 3guy s ASP 90 N -1.37 6.94 0.50 5.90 2.15 -1.26 -4.96 116.67 124.57 3guy s ASP 90 Ca 0.51 1.14 0.15 0.00 0.43 0.00 0.00 52.55 54.78 3guy s ASP 90 Cb -0.24 -2.41 1.18 0.00 -0.30 0.00 0.00 42.92 41.15 3guy s ASP 90 CO 0.31 -0.17 2.10 -0.65 -0.17 0.00 0.00 175.17 176.59 3guy h PRO 91 N 6.92 0.03 -0.73 4.34 0.11 -1.97 -0.58 132.00 140.13 3guy h PRO 91 Ca -0.38 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 3guy h PRO 91 Cb 1.18 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3guy h PRO 91 CO 0.77 0.07 0.25 0.93 -0.21 0.00 0.00 178.00 179.80 3guy h GLU 92 N 0.03 1.11 -0.28 1.05 5.08 -2.00 -1.06 114.58 118.52 3guy h GLU 92 Ca 0.01 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.01 3guy h GLU 92 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3guy h GLU 92 CO 0.00 0.93 -0.40 1.96 -1.00 0.00 0.00 179.01 180.50 3guy h GLN 93 N 1.07 0.67 -0.51 2.33 1.08 -1.56 -2.46 115.11 115.73 3guy h GLN 93 Ca 0.24 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3guy h GLN 93 Cb 0.26 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 3guy h GLN 93 CO -0.01 0.95 0.33 0.82 -0.95 0.00 0.00 178.83 179.97 3guy h ILE 94 N 0.55 1.14 -0.47 2.54 2.04 -0.93 -0.53 117.51 121.86 3guy h ILE 94 Ca 0.05 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.66 3guy h ILE 94 Cb 0.93 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3guy h ILE 94 CO 0.08 0.14 0.24 -0.61 0.00 0.00 0.00 178.15 178.01 3guy h GLN 95 N 0.69 0.47 -0.76 2.37 5.75 -1.03 -0.34 115.11 122.26 3guy h GLN 95 Ca 0.19 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3guy h GLN 95 Cb -0.05 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 3guy h GLN 95 CO -0.04 0.31 0.46 1.15 -2.65 0.00 0.00 178.83 178.07 3guy h THR 96 N 0.48 1.21 -0.72 2.39 2.02 -1.25 -0.87 112.91 116.17 3guy h THR 96 Ca 0.20 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3guy h THR 96 Cb 0.10 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3guy h THR 96 CO -0.14 0.22 0.40 0.25 0.37 0.00 0.00 175.52 176.63 3guy h LEU 97 N 1.05 0.90 -0.19 2.58 5.85 0.48 0.01 115.31 126.00 3guy h LEU 97 Ca 0.28 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3guy h LEU 97 Cb -0.05 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3guy h LEU 97 CO -0.05 0.74 0.04 0.40 -0.34 0.00 0.00 178.44 179.22 3guy h ILE 98 N 1.00 1.21 -0.25 4.05 2.04 -0.66 -1.88 117.51 123.02 3guy h ILE 98 Ca 0.26 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3guy h ILE 98 Cb 0.03 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3guy h ILE 98 CO -0.04 0.21 0.14 -0.33 0.00 0.00 0.00 178.15 178.13 3guy h GLU 99 N 0.11 0.28 0.00 2.37 5.08 -1.05 -0.21 114.58 121.16 3guy h GLU 99 Ca 0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3guy h GLU 99 Cb 0.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3guy h GLU 99 CO 0.00 0.19 -0.40 -0.91 -1.00 0.00 0.00 179.01 176.89 3guy h ASN 100 N 0.29 0.00 0.00 1.42 2.35 -0.89 -2.60 115.58 116.15 3guy h ASN 100 Ca 0.10 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.61 3guy h ASN 100 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3guy h ASN 100 CO -0.05 0.40 -1.74 0.59 -1.65 0.00 0.00 177.43 174.98 3guy n ASN 101 N -3.68 1.26 -0.08 5.81 3.02 -0.72 -3.86 115.26 117.01 3guy n ASN 101 Ca -0.01 0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.63 3guy n ASN 101 Cb 0.49 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 39.08 3guy n ASN 101 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3guy h LEU 102 N -0.61 0.00 -0.70 3.41 5.85 -1.24 -2.99 115.31 119.04 3guy h LEU 102 Ca -0.36 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.13 3guy h LEU 102 Cb 1.26 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 3guy h LEU 102 CO -0.22 1.06 0.34 0.28 -0.34 0.00 0.00 178.44 179.55 3guy h SER 103 N -1.00 0.42 -0.11 1.25 0.02 -1.43 -1.24 113.55 111.47 3guy h SER 103 Ca -0.14 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3guy h SER 103 Cb 0.83 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 3guy h SER 103 CO -0.09 0.24 0.05 0.77 -1.14 0.00 0.00 176.83 176.66 3guy h SER 104 N 0.57 0.08 -0.71 3.07 4.64 -1.62 -0.77 113.55 118.81 3guy h SER 104 Ca 0.35 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.70 3guy h SER 104 Cb 0.39 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 3guy h SER 104 CO -0.28 0.06 0.46 0.00 -0.87 0.00 0.00 176.83 176.20 3guy h ALA 105 N 1.05 0.92 0.06 5.18 0.00 -1.27 -1.79 119.26 123.41 3guy h ALA 105 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3guy h ALA 105 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3guy h ALA 105 CO -0.03 0.27 -0.03 0.82 0.00 0.00 0.00 179.25 180.28 3guy h ILE 106 N 0.91 1.10 -0.47 0.00 2.04 -1.09 0.87 117.51 120.87 3guy h ILE 106 Ca 0.28 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.63 3guy h ILE 106 Cb -0.03 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3guy h ILE 106 CO -0.09 0.13 0.28 0.78 0.00 0.00 0.00 178.15 179.25 3guy h ASN 107 N -0.32 0.46 -0.19 1.72 2.35 -1.11 0.12 115.58 118.61 3guy h ASN 107 Ca -0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3guy h ASN 107 Cb 0.28 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 3guy h ASN 107 CO 0.01 0.33 -0.17 0.58 -1.65 0.00 0.00 177.43 176.53 3guy h VAL 108 N 0.57 1.33 -0.56 2.81 2.07 -1.25 -0.47 116.25 120.75 3guy h VAL 108 Ca 0.18 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 3guy h VAL 108 Cb 0.00 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3guy h VAL 108 CO -0.08 0.40 -0.05 0.25 0.02 0.00 0.00 177.57 178.11 3guy h LEU 109 N 0.12 1.01 -0.21 2.57 5.85 -0.68 -1.35 115.31 122.62 3guy h LEU 109 Ca 0.03 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3guy h LEU 109 Cb 0.71 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3guy h LEU 109 CO 0.04 1.09 0.10 -0.09 -0.34 0.00 0.00 178.44 179.25 3guy h ARG 110 N 0.90 0.30 -0.67 1.25 2.43 -0.69 0.04 114.38 117.93 3guy h ARG 110 Ca 0.15 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3guy h ARG 110 Cb 0.61 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3guy h ARG 110 CO 0.04 0.31 0.40 1.49 -1.51 0.00 0.00 179.97 180.71 3guy h GLU 111 N 0.21 0.91 -0.09 0.20 4.57 -0.95 0.49 114.58 119.91 3guy h GLU 111 Ca 0.07 -0.08 -0.19 0.00 -1.18 0.00 0.00 59.36 57.98 3guy h GLU 111 Cb 0.11 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3guy h GLU 111 CO -0.01 0.64 -0.69 -0.07 -1.18 0.00 0.00 179.01 177.70 3guy h LEU 112 N 0.93 0.76 -0.57 1.64 3.38 -0.82 -1.51 115.31 119.12 3guy h LEU 112 Ca 0.24 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 3guy h LEU 112 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3guy h LEU 112 CO -0.05 1.31 0.24 0.58 0.09 0.00 0.00 178.44 180.61 3guy h VAL 113 N 0.26 1.22 -0.03 1.22 2.07 -0.89 0.25 116.25 120.35 3guy h VAL 113 Ca -0.06 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3guy h VAL 113 Cb 1.34 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3guy h VAL 113 CO 0.14 0.26 -0.16 0.50 0.02 0.00 0.00 177.57 178.34 3guy h LYS 114 N 0.78 -0.23 0.14 1.57 3.64 -0.81 -2.87 116.57 118.79 3guy h LYS 114 Ca 0.19 0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.30 3guy h LYS 114 Cb 0.19 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3guy h LYS 114 CO -0.02 -0.16 -1.35 0.00 -2.27 0.00 0.00 179.45 175.66 3guy h ARG 115 N -0.24 0.29 0.00 1.90 3.08 -1.23 -3.42 114.38 114.75 3guy h ARG 115 Ca 0.06 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3guy h ARG 115 Cb 0.33 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3guy h ARG 115 CO -0.17 1.21 -0.01 0.66 -1.07 0.00 0.00 179.97 180.59 3guy n TYR 116 N -3.52 0.00 0.21 3.04 4.01 0.89 -4.76 117.16 117.02 3guy n TYR 116 Ca -0.12 -0.29 0.15 0.00 -0.16 0.00 0.00 57.90 57.49 3guy n TYR 116 Cb 1.04 -0.03 0.77 0.00 -0.31 0.00 0.00 39.34 40.81 3guy n TYR 116 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3guy h LYS 117 N 0.00 0.00 -0.42 -0.72 2.10 -1.49 0.95 116.57 116.99 3guy h LYS 117 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3guy h LYS 117 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 3guy h LYS 117 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3guy n ASP 118 N -4.11 2.86 -4.79 7.07 8.00 -1.26 -3.38 116.55 120.94 3guy n ASP 118 Ca 0.01 -1.94 -0.26 0.00 0.71 0.00 0.00 54.79 53.32 3guy n ASP 118 Cb 0.26 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.02 3guy n ASP 118 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3guy s GLN 119 N -1.44 2.86 -1.34 -1.24 -1.52 0.33 -4.79 119.66 112.51 3guy s GLN 119 Ca 0.37 -0.92 -0.17 0.00 -1.95 0.00 0.00 55.36 52.69 3guy s GLN 119 Cb 0.20 -2.60 0.04 0.00 -0.22 0.00 0.00 33.01 30.43 3guy s GLN 119 CO 0.28 0.47 1.96 -0.35 -0.25 0.00 0.00 175.29 177.40 3guy n PRO 120 N -0.47 2.89 -4.61 2.91 -0.04 -1.26 -2.72 135.00 131.71 3guy n PRO 120 Ca -0.08 -2.89 -0.33 0.00 -0.04 0.00 0.00 63.50 60.16 3guy n PRO 120 Cb 0.55 -3.40 -0.14 0.00 -0.04 0.00 0.00 33.50 30.48 3guy n PRO 120 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3guy s VAL 121 N 4.18 3.19 -0.31 0.52 1.01 -1.26 -4.81 120.40 122.93 3guy s VAL 121 Ca 0.52 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 3guy s VAL 121 Cb 0.08 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3guy s VAL 121 CO 0.01 0.51 0.63 0.20 0.00 0.00 0.00 175.10 176.46 3guy s ASN 122 N 0.50 6.49 -0.34 3.32 0.01 -0.70 -2.08 114.94 122.14 3guy s ASN 122 Ca -0.08 0.41 -0.12 0.00 -0.71 0.00 0.00 52.86 52.36 3guy s ASN 122 Cb -0.15 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 3guy s ASN 122 CO 0.04 -0.49 0.22 -0.69 -1.51 0.00 0.00 177.10 174.67 3guy s VAL 123 N 2.62 5.05 -0.35 1.60 1.01 0.08 -1.06 120.40 129.35 3guy s VAL 123 Ca 0.25 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 3guy s VAL 123 Cb -0.15 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 3guy s VAL 123 CO 0.12 -0.05 0.21 -0.69 0.00 0.00 0.00 175.10 174.70 3guy s VAL 124 N 1.68 4.93 -0.37 2.92 1.01 0.13 -0.62 120.40 130.08 3guy s VAL 124 Ca 0.05 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 3guy s VAL 124 Cb -0.18 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3guy s VAL 124 CO 0.09 -0.07 0.23 -0.04 0.00 0.00 0.00 175.10 175.31 3guy s MET 125 N 1.65 3.02 -0.24 2.72 -1.94 0.07 -0.61 119.30 123.97 3guy s MET 125 Ca 0.05 -0.96 -0.16 0.00 -1.71 0.00 0.00 55.69 52.91 3guy s MET 125 Cb -0.18 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 32.85 3guy s MET 125 CO 0.08 -0.64 0.42 0.42 -0.01 0.00 0.00 175.02 175.29 3guy s ILE 126 N 1.61 5.16 0.00 2.53 1.01 -0.57 -1.48 121.20 129.46 3guy s ILE 126 Ca 0.04 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.39 3guy s ILE 126 Cb -0.19 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3guy s ILE 126 CO 0.08 0.18 0.00 0.23 0.00 0.00 0.00 174.94 175.43 3guy n MET 127 N 5.05 0.00 -3.64 2.79 2.81 0.61 -4.77 117.12 119.97 3guy n MET 127 Ca -0.07 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.79 3guy n MET 127 Cb 0.51 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.98 3guy n MET 127 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3guy s SER 128 N 0.69 -0.04 0.52 7.83 0.15 -1.25 -4.43 113.70 117.16 3guy s SER 128 Ca 0.00 0.03 0.33 0.00 0.70 0.00 0.00 55.95 57.01 3guy s SER 128 Cb 0.00 0.04 1.79 0.00 -1.71 0.00 0.00 66.02 66.14 3guy s SER 128 CO 0.00 -0.05 2.00 0.71 1.20 0.00 0.00 173.24 177.10 3guy h THR 129 N 2.04 0.00 0.00 6.45 1.35 -1.27 -1.17 112.91 120.31 3guy h THR 129 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 3guy h THR 129 Cb 1.16 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3guy h THR 129 CO 0.21 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.45 3guy h ALA 130 N 1.88 1.13 0.00 6.62 0.00 -1.84 -2.47 119.26 124.59 3guy h ALA 130 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3guy h ALA 130 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3guy h ALA 130 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3guy h ALA 131 N 1.97 1.00 -0.01 0.00 0.00 -1.46 -3.32 119.26 117.44 3guy h ALA 131 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3guy h ALA 131 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3guy h ALA 131 CO 0.00 0.00 -0.21 1.04 0.00 0.00 0.00 179.25 180.09 3guy n GLN 132 N -2.84 1.98 -3.49 0.00 6.02 -0.93 -4.35 117.38 113.76 3guy n GLN 132 Ca 0.01 -0.64 -0.16 0.00 -0.01 0.00 0.00 57.00 56.20 3guy n GLN 132 Cb 0.30 -1.10 -0.05 0.00 1.02 0.00 0.00 30.24 30.41 3guy n GLN 132 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3guy s GLN 133 N -1.38 1.14 0.48 -1.09 -2.07 -1.22 -5.16 119.66 110.36 3guy s GLN 133 Ca 0.09 -0.02 -0.18 0.00 -1.82 0.00 0.00 55.36 53.43 3guy s GLN 133 Cb 0.08 0.53 -0.09 0.00 -1.09 0.00 0.00 33.01 32.44 3guy s GLN 133 CO 0.26 -0.41 0.97 -1.25 -1.32 0.00 0.00 175.29 173.54 3guy s PRO 134 N -2.14 4.06 -0.13 9.60 0.04 -1.26 -4.69 135.00 140.48 3guy s PRO 134 Ca -0.07 1.02 -0.05 0.00 0.04 0.00 0.00 61.00 61.95 3guy s PRO 134 Cb -0.00 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.45 3guy s PRO 134 CO 0.01 -0.18 0.26 0.15 0.04 0.00 0.00 177.00 177.29 3guy s LYS 135 N -3.73 0.15 0.46 4.56 1.02 -1.26 -5.11 119.74 115.83 3guy s LYS 135 Ca 0.60 0.73 -0.24 0.00 0.02 0.00 0.00 55.97 57.08 3guy s LYS 135 Cb -0.10 -0.04 -0.09 0.00 -0.52 0.00 0.00 37.83 37.09 3guy s LYS 135 CO 0.24 -0.27 1.25 0.00 -0.92 0.00 0.00 175.35 175.65 3guy n ALA 136 N 5.25 1.22 -1.13 5.17 0.00 -1.26 -1.71 120.51 128.05 3guy n ALA 136 Ca -0.08 0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 3guy n ALA 136 Cb 0.50 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 3guy n ALA 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3guy n GLN 137 N -0.22 -1.73 -1.10 0.00 6.02 -1.26 -4.82 117.38 114.27 3guy n GLN 137 Ca 0.08 0.63 0.05 0.00 -0.01 0.00 0.00 57.00 57.74 3guy n GLN 137 Cb 0.41 -4.99 0.10 0.00 1.02 0.00 0.00 30.24 26.78 3guy n GLN 137 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3guy n GLU 138 N -0.03 0.69 -0.25 -1.09 1.02 -0.70 -1.29 120.64 119.00 3guy n GLU 138 Ca -0.04 -2.56 -0.06 0.00 -0.02 0.00 0.00 57.16 54.47 3guy n GLU 138 Cb 0.50 -0.71 0.05 0.00 -0.02 0.00 0.00 31.44 31.26 3guy n GLU 138 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3guy h SER 139 N 0.99 0.89 1.13 1.62 4.64 -1.82 0.37 113.55 121.36 3guy h SER 139 Ca -0.13 -0.11 -0.15 0.00 -0.47 0.00 0.00 61.79 60.93 3guy h SER 139 Cb 1.50 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3guy h SER 139 CO 0.06 0.74 -0.73 0.71 -0.87 0.00 0.00 176.83 176.74 3guy h THR 140 N 0.96 1.30 -0.27 2.95 1.35 -1.92 -1.54 112.91 115.75 3guy h THR 140 Ca 0.24 -2.69 -0.08 0.00 -0.55 0.00 0.00 66.41 63.33 3guy h THR 140 Cb 0.07 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 3guy h THR 140 CO -0.04 0.71 -0.16 0.22 -0.25 0.00 0.00 175.52 176.00 3guy h TYR 141 N 0.00 0.68 -0.56 4.73 3.20 -1.61 -2.20 116.97 121.21 3guy h TYR 141 Ca -0.01 -0.18 0.08 0.00 3.14 0.00 0.00 58.73 61.76 3guy h TYR 141 Cb 1.48 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.54 3guy h TYR 141 CO 0.00 0.85 0.21 0.00 -1.64 0.00 0.00 178.16 177.58 3guy h ALA 143 N 1.37 0.29 -0.06 0.00 0.00 -1.14 0.34 119.26 120.06 3guy h ALA 143 Ca 0.27 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 3guy h ALA 143 Cb 0.31 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3guy h ALA 143 CO -0.27 -0.37 -0.62 -0.39 0.00 0.00 0.00 179.25 177.60 3guy h VAL 144 N 0.14 1.40 0.25 0.00 -1.51 -1.20 -1.17 116.25 114.15 3guy h VAL 144 Ca 0.14 -2.02 -0.33 0.00 -1.23 0.00 0.00 66.70 63.25 3guy h VAL 144 Cb 0.16 2.03 0.04 0.00 -2.13 0.00 0.00 31.29 31.38 3guy h VAL 144 CO -0.19 0.59 -1.46 0.11 -1.23 0.00 0.00 177.57 175.39 3guy h LYS 145 N 0.16 0.52 -0.77 5.19 1.79 -0.92 -2.50 116.57 120.04 3guy h LYS 145 Ca -0.01 -0.89 0.11 0.00 -2.18 0.00 0.00 60.65 57.68 3guy h LYS 145 Cb 1.13 0.33 -0.08 0.00 -1.58 0.00 0.00 32.23 32.03 3guy h LYS 145 CO 0.09 1.42 0.40 -1.49 -1.08 0.00 0.00 179.45 178.80 3guy h TRP 146 N 0.14 0.71 -0.36 -1.35 4.06 -0.35 -1.35 115.95 117.45 3guy h TRP 146 Ca -0.25 0.03 0.06 0.00 2.06 0.00 0.00 58.89 60.79 3guy h TRP 146 Cb 2.16 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 30.06 3guy h TRP 146 CO 0.12 0.24 0.04 0.00 -3.56 0.00 0.00 178.44 175.28 3guy h ALA 147 N 1.47 0.36 -0.61 1.49 0.00 -1.07 0.59 119.26 121.49 3guy h ALA 147 Ca 0.39 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 3guy h ALA 147 Cb 0.44 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3guy h ALA 147 CO -0.29 -0.36 0.04 0.28 0.00 0.00 0.00 179.25 178.92 3guy h VAL 148 N 0.15 1.26 -0.58 0.00 2.07 -1.26 0.11 116.25 118.01 3guy h VAL 148 Ca 0.17 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.63 3guy h VAL 148 Cb 0.22 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3guy h VAL 148 CO -0.26 0.40 0.34 0.50 0.02 0.00 0.00 177.57 178.57 3guy h LYS 149 N 0.96 0.63 -0.16 1.57 3.64 -0.89 -0.34 116.57 122.00 3guy h LYS 149 Ca 0.18 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3guy h LYS 149 Cb 0.51 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3guy h LYS 149 CO 0.02 0.42 0.09 0.78 -2.27 0.00 0.00 179.45 178.49 3guy h GLY 150 N 0.65 0.23 -0.34 5.01 0.00 -0.28 -1.70 103.07 106.65 3guy h GLY 150 Ca 0.24 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.54 3guy h GLY 150 CO -0.13 0.10 -0.45 -2.00 0.00 0.00 0.00 176.54 174.06 3guy h LEU 151 N 0.17 -1.49 -0.30 3.11 5.85 -0.62 -1.67 115.31 120.36 3guy h LEU 151 Ca 0.06 0.22 -0.20 0.00 0.84 0.00 0.00 57.88 58.80 3guy h LEU 151 Cb 0.05 0.65 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3guy h LEU 151 CO -0.01 -0.37 -0.78 0.16 -0.34 0.00 0.00 178.44 177.10 3guy h ILE 152 N -0.32 1.35 -0.34 4.05 -0.00 -0.88 -0.07 117.51 121.30 3guy h ILE 152 Ca 0.13 -2.13 -0.04 0.00 -0.00 0.00 0.00 64.86 62.83 3guy h ILE 152 Cb 0.58 2.12 -0.02 0.00 -0.00 0.00 0.00 36.82 39.50 3guy h ILE 152 CO -0.59 0.65 0.05 -0.33 -0.00 0.00 0.00 178.15 177.93 3guy h GLU 153 N 0.35 0.51 -0.16 0.16 4.39 -1.31 0.37 114.58 118.89 3guy h GLU 153 Ca -0.05 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.46 3guy h GLU 153 Cb 1.38 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3guy h GLU 153 CO 0.14 0.50 -0.33 0.77 -1.16 0.00 0.00 179.01 178.93 3guy h SER 154 N 0.50 0.56 -0.21 1.42 0.02 -0.91 -3.18 113.55 111.74 3guy h SER 154 Ca 0.11 -0.56 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 3guy h SER 154 Cb 0.25 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3guy h SER 154 CO 0.00 1.01 -0.03 0.58 -1.14 0.00 0.00 176.83 177.25 3guy h VAL 155 N 0.12 1.21 -0.66 2.27 2.07 -0.88 -2.51 116.25 117.87 3guy h VAL 155 Ca 0.00 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3guy h VAL 155 Cb 0.92 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3guy h VAL 155 CO 0.07 0.29 0.44 0.03 0.02 0.00 0.00 177.57 178.42 3guy h ARG 156 N 0.51 0.64 -0.33 1.57 3.08 -0.91 -0.89 114.38 118.05 3guy h ARG 156 Ca 0.10 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 3guy h ARG 156 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3guy h ARG 156 CO 0.02 0.42 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.93 3guy h LEU 157 N 0.66 0.76 -1.60 3.04 3.38 -1.44 -2.86 115.31 117.26 3guy h LEU 157 Ca 0.29 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3guy h LEU 157 Cb 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3guy h LEU 157 CO -0.09 1.04 -0.21 -0.33 0.09 0.00 0.00 178.44 178.93 3guy h GLU 158 N 0.61 0.00 -0.59 1.13 5.08 -0.95 -2.99 114.58 116.87 3guy h GLU 158 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3guy h GLU 158 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3guy h GLU 158 CO 0.08 0.21 0.00 1.28 -1.00 0.00 0.00 179.01 179.58 3guy n LEU 159 N -3.87 3.23 -4.68 1.33 4.77 -0.46 -4.96 117.00 112.36 3guy n LEU 159 Ca -0.02 -1.60 -0.45 0.00 -0.03 0.00 0.00 56.01 53.91 3guy n LEU 159 Cb 0.31 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3guy n LEU 159 CO 0.34 0.80 1.19 0.29 -1.33 0.00 0.00 177.39 178.68 3guy n LYS 160 N 1.27 2.25 -1.21 3.23 4.76 -1.13 -0.91 118.16 126.43 3guy n LYS 160 Ca 0.20 0.81 -0.07 0.00 -2.87 0.00 0.00 58.31 56.38 3guy n LYS 160 Cb 0.51 -2.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.10 3guy n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3guy n GLY 161 N 3.16 0.93 3.49 0.72 0.00 -1.26 -5.04 105.19 107.19 3guy n GLY 161 Ca 0.15 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 3guy n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3guy s LYS 162 N -2.44 1.76 0.30 1.61 1.02 -0.08 -5.05 119.74 116.86 3guy s LYS 162 Ca 0.00 -1.55 0.25 0.00 0.02 0.00 0.00 55.97 54.69 3guy s LYS 162 Cb 0.00 -1.91 0.64 0.00 -0.52 0.00 0.00 37.83 36.04 3guy s LYS 162 CO 0.00 0.38 1.72 -1.00 -0.92 0.00 0.00 175.35 175.52 3guy h PRO 163 N 2.67 0.00 -6.40 -1.68 0.13 -1.80 -3.44 132.00 121.47 3guy h PRO 163 Ca -0.44 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.15 3guy h PRO 163 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3guy h PRO 163 CO 0.55 0.00 0.65 1.41 -0.23 0.00 0.00 178.00 180.38 3guy s MET 164 N -3.15 4.38 0.12 0.86 0.00 -1.10 -4.10 119.30 116.31 3guy s MET 164 Ca 0.09 1.76 0.10 0.00 0.00 0.00 0.00 55.69 57.64 3guy s MET 164 Cb 0.10 -3.46 -0.04 0.00 0.00 0.00 0.00 34.83 31.43 3guy s MET 164 CO 0.62 -0.37 -0.24 0.15 0.00 0.00 0.00 175.02 175.18 3guy s LYS 165 N 1.68 1.57 -0.19 4.11 1.02 -0.88 -4.96 119.74 122.08 3guy s LYS 165 Ca 0.58 -1.27 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 3guy s LYS 165 Cb -0.28 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 3guy s LYS 165 CO 0.26 0.46 -0.03 0.42 -0.92 0.00 0.00 175.35 175.54 3guy s ILE 166 N -1.08 3.64 -0.16 2.17 1.01 -1.26 -0.74 121.20 124.78 3guy s ILE 166 Ca 0.15 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 3guy s ILE 166 Cb -0.10 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3guy s ILE 166 CO 0.07 0.45 0.04 -0.63 0.00 0.00 0.00 174.94 174.87 3guy s ILE 167 N 1.00 4.59 -0.14 2.92 -1.09 0.21 -4.92 121.20 123.77 3guy s ILE 167 Ca 0.01 -0.11 -0.04 0.00 -2.23 0.00 0.00 60.65 58.28 3guy s ILE 167 Cb -0.15 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.67 3guy s ILE 167 CO 0.01 0.50 -0.02 0.00 -1.23 0.00 0.00 174.94 174.20 3guy s ALA 168 N 0.11 3.12 -0.07 9.38 0.00 -0.32 -0.75 121.76 133.24 3guy s ALA 168 Ca 0.04 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3guy s ALA 168 Cb -0.13 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.42 3guy s ALA 168 CO 0.01 0.30 -0.12 0.08 0.00 0.00 0.00 175.76 176.03 3guy s VAL 169 N 0.07 1.11 -0.56 0.00 1.01 -0.55 -0.99 120.40 120.50 3guy s VAL 169 Ca 0.01 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3guy s VAL 169 Cb -0.13 -1.03 0.15 0.00 0.00 0.00 0.00 36.38 35.37 3guy s VAL 169 CO 0.02 0.35 0.36 -0.31 0.00 0.00 0.00 175.10 175.52 3guy s TYR 170 N 0.72 2.82 0.39 5.22 2.02 0.38 -0.28 117.35 128.61 3guy s TYR 170 Ca -0.14 -2.97 -0.24 0.00 -0.37 0.00 0.00 57.07 53.35 3guy s TYR 170 Cb -0.16 -2.34 -0.10 0.00 -0.40 0.00 0.00 41.96 38.97 3guy s TYR 170 CO 0.03 -0.68 1.00 -2.14 -1.57 0.00 0.00 175.55 172.19 3guy s PRO 171 N -0.57 4.28 -0.04 -1.71 0.02 -1.26 -1.80 135.00 133.93 3guy s PRO 171 Ca 0.22 1.39 -0.02 0.00 0.02 0.00 0.00 61.00 62.61 3guy s PRO 171 Cb -0.14 -2.54 0.02 0.00 0.02 0.00 0.00 34.50 31.87 3guy s PRO 171 CO -0.09 -0.01 0.08 0.20 -0.33 0.00 0.00 177.00 176.85 3guy s GLY 172 N -1.70 -0.00 -0.28 0.52 0.00 0.25 -1.04 107.32 105.06 3guy s GLY 172 Ca 0.57 0.37 -0.00 0.00 0.00 0.00 0.00 44.72 45.66 3guy s GLY 172 CO 0.24 0.56 0.24 0.61 0.00 0.00 0.00 173.10 174.74 3guy n GLY 173 N 3.70 0.25 3.12 0.20 0.00 -1.26 -2.42 105.19 108.78 3guy n GLY 173 Ca -0.21 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 3guy n GLY 173 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3guy s MET 174 N -4.33 3.34 0.00 1.61 1.00 -1.26 -1.01 119.30 118.64 3guy s MET 174 Ca 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 55.69 52.41 3guy s MET 174 Cb -0.00 -4.00 0.00 0.00 0.00 0.00 0.00 34.83 30.83 3guy s MET 174 CO 0.17 -1.26 0.00 1.19 0.00 0.00 0.00 175.02 175.12 3guy n PHE 191 N 2.35 0.00 -2.38 -0.03 3.01 -1.26 -4.91 117.46 114.23 3guy n PHE 191 Ca 0.22 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.25 3guy n PHE 191 Cb 0.37 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 3guy n PHE 191 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3guy s MET 192 N -3.57 4.32 0.58 -1.08 -2.45 -0.18 -5.02 119.30 111.89 3guy s MET 192 Ca 0.00 1.76 -0.18 0.00 -1.25 0.00 0.00 55.69 56.03 3guy s MET 192 Cb 0.00 -3.58 -0.04 0.00 1.25 0.00 0.00 34.83 32.46 3guy s MET 192 CO 0.00 -0.51 1.11 -1.54 1.05 0.00 0.00 175.02 175.13 3guy s SER 193 N 1.65 5.57 0.32 1.11 1.04 -1.26 -4.90 113.70 117.24 3guy s SER 193 Ca 0.58 2.07 0.01 0.00 0.48 0.00 0.00 55.95 59.09 3guy s SER 193 Cb -0.27 -2.57 0.55 0.00 0.10 0.00 0.00 66.02 63.84 3guy s SER 193 CO 0.23 -1.31 1.93 0.00 0.98 0.00 0.00 173.24 175.07 3guy h ALA 194 N 0.78 1.41 -0.17 5.32 0.00 -1.93 -0.65 119.26 124.01 3guy h ALA 194 Ca -0.49 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3guy h ALA 194 Cb 1.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3guy h ALA 194 CO 0.56 0.46 0.11 1.49 0.00 0.00 0.00 179.25 181.88 3guy h GLU 195 N 0.80 0.23 0.06 0.00 4.81 -1.92 0.63 114.58 119.19 3guy h GLU 195 Ca 0.20 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.17 3guy h GLU 195 Cb 0.08 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3guy h GLU 195 CO -0.03 0.18 -1.07 -0.44 -0.73 0.00 0.00 179.01 176.92 3guy h ASP 196 N 0.22 0.47 -0.12 1.04 3.32 -1.87 -1.14 116.42 118.34 3guy h ASP 196 Ca 0.06 -0.43 0.04 0.00 0.02 0.00 0.00 57.03 56.73 3guy h ASP 196 Cb 0.00 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 3guy h ASP 196 CO -0.01 1.27 -0.16 0.00 -1.72 0.00 0.00 179.24 178.61 3guy h ALA 197 N 0.68 -0.10 -0.61 3.45 0.00 -1.16 -0.45 119.26 121.08 3guy h ALA 197 Ca -0.10 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3guy h ALA 197 Cb 1.74 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 3guy h ALA 197 CO 0.18 -0.62 0.24 0.00 0.00 0.00 0.00 179.25 179.05 3guy h ALA 198 N 0.83 0.79 -0.49 0.00 0.00 -0.70 -0.29 119.26 119.41 3guy h ALA 198 Ca 0.09 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3guy h ALA 198 Cb 0.34 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3guy h ALA 198 CO -0.25 -0.17 0.25 -0.07 0.00 0.00 0.00 179.25 179.02 3guy h LEU 199 N 0.44 0.36 -0.32 0.00 3.38 -0.89 -0.34 115.31 117.94 3guy h LEU 199 Ca 0.30 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.18 3guy h LEU 199 Cb 0.35 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3guy h LEU 199 CO -0.29 0.25 -0.25 0.24 0.09 0.00 0.00 178.44 178.49 3guy h MET 200 N 0.49 0.74 -0.28 1.13 2.86 -0.48 -1.09 114.93 118.30 3guy h MET 200 Ca 0.21 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3guy h MET 200 Cb 0.12 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3guy h MET 200 CO -0.15 0.98 0.08 0.82 1.06 0.00 0.00 176.91 179.70 3guy h ILE 201 N 0.51 1.21 -0.39 -1.22 2.04 -1.02 -1.36 117.51 117.27 3guy h ILE 201 Ca 0.06 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 3guy h ILE 201 Cb 0.81 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3guy h ILE 201 CO 0.07 0.22 -0.08 -0.74 0.00 0.00 0.00 178.15 177.62 3guy h HIS 202 N 0.29 0.72 0.00 1.37 2.76 -1.05 -2.14 115.15 117.10 3guy h HIS 202 Ca 0.09 -0.11 -0.16 0.00 -2.20 0.00 0.00 60.37 57.99 3guy h HIS 202 Cb 0.26 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3guy h HIS 202 CO 0.01 0.73 -0.76 0.78 -1.30 0.00 0.00 177.93 177.39 3guy h GLY 203 N 0.96 0.00 1.52 5.26 0.00 -1.11 -3.31 103.07 106.39 3guy h GLY 203 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.16 3guy h GLY 203 CO 0.03 0.00 -1.33 0.00 0.00 0.00 0.00 176.54 175.24 3guy h ALA 204 N 1.24 0.19 -2.47 3.60 0.00 -0.97 -3.45 119.26 117.41 3guy h ALA 204 Ca -0.01 -0.98 -0.53 0.00 0.00 0.00 0.00 54.91 53.39 3guy h ALA 204 Cb 1.39 0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.29 3guy h ALA 204 CO 0.10 1.07 0.94 -0.51 0.00 0.00 0.00 179.25 180.84 3guy s LEU 205 N -7.02 4.36 -0.05 0.00 1.43 -0.83 -4.85 118.68 111.72 3guy s LEU 205 Ca -0.05 2.44 -0.21 0.00 -1.03 0.00 0.00 54.13 55.28 3guy s LEU 205 Cb 0.07 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.77 3guy s LEU 205 CO 0.87 -0.84 0.47 0.00 0.23 0.00 0.00 176.35 177.08 3guy s ALA 206 N 2.25 -1.21 -0.36 4.21 0.00 -1.26 -4.99 121.76 120.40 3guy s ALA 206 Ca 0.71 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.54 3guy s ALA 206 Cb -0.39 -0.09 0.11 0.00 0.00 0.00 0.00 23.12 22.75 3guy s ALA 206 CO 0.31 -0.30 0.13 -0.80 0.00 0.00 0.00 175.76 175.10 3guy s ASN 207 N -1.03 4.15 -0.16 0.00 0.02 -1.26 -2.07 114.94 114.59 3guy s ASN 207 Ca -0.11 -2.08 -0.00 0.00 -1.02 0.00 0.00 52.86 49.66 3guy s ASN 207 Cb -0.03 -1.14 -0.01 0.00 0.02 0.00 0.00 41.25 40.09 3guy s ASN 207 CO 0.06 -0.36 -0.13 -0.63 0.02 0.00 0.00 177.10 176.05 3guy s ILE 208 N 1.04 2.83 0.00 0.60 -1.09 -0.34 -4.96 121.20 119.29 3guy s ILE 208 Ca 0.12 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 3guy s ILE 208 Cb -0.20 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.47 3guy s ILE 208 CO -0.14 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 3guy n GLY 209 N 4.04 3.66 1.25 6.18 0.00 -1.26 -0.58 105.19 118.48 3guy n GLY 209 Ca -0.19 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.77 3guy n GLY 209 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3guy n ASN 210 N 5.21 3.44 -4.13 1.61 4.13 -1.26 -4.95 115.26 119.31 3guy n ASN 210 Ca 0.00 -2.50 -0.09 0.00 1.68 0.00 0.00 54.58 53.67 3guy n ASN 210 Cb 0.00 -0.60 -0.10 0.00 -1.54 0.00 0.00 39.78 37.54 3guy n ASN 210 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3guy s GLY 211 N -0.38 0.70 0.06 7.41 0.00 0.26 -5.17 107.32 110.21 3guy s GLY 211 Ca 0.28 -1.33 -0.10 0.00 0.00 0.00 0.00 44.72 43.57 3guy s GLY 211 CO 0.08 -1.37 0.22 -2.52 0.00 0.00 0.00 173.10 169.51 3guy s TYR 212 N -3.88 0.05 -0.51 1.90 -0.85 -1.26 -1.20 117.35 111.60 3guy s TYR 212 Ca 0.13 -0.34 -0.27 0.00 -0.52 0.00 0.00 57.07 56.08 3guy s TYR 212 Cb 0.07 -0.00 0.03 0.00 0.38 0.00 0.00 41.96 42.44 3guy s TYR 212 CO -0.05 -0.50 1.06 0.08 -1.52 0.00 0.00 175.55 174.61 3guy s VAL 213 N -3.11 4.27 -0.14 -3.49 1.01 -0.88 -4.89 120.40 113.17 3guy s VAL 213 Ca -0.01 0.84 0.21 0.00 0.00 0.00 0.00 61.98 63.02 3guy s VAL 213 Cb 0.01 -4.58 -0.17 0.00 0.00 0.00 0.00 36.38 31.64 3guy s VAL 213 CO -0.07 -1.06 0.70 -1.54 0.00 0.00 0.00 175.10 173.13 3guy n SER 214 N 7.73 0.47 -3.74 3.32 3.41 -1.26 -4.75 113.62 118.80 3guy n SER 214 Ca 0.08 0.19 -0.12 0.00 -0.26 0.00 0.00 58.87 58.75 3guy n SER 214 Cb 0.49 1.00 -0.11 0.00 -0.26 0.00 0.00 64.21 65.32 3guy n SER 214 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3guy s ASP 215 N -5.16 -0.36 -0.03 4.04 1.01 -1.26 -1.17 116.67 113.74 3guy s ASP 215 Ca -0.05 0.68 -0.02 0.00 0.71 0.00 0.00 52.55 53.87 3guy s ASP 215 Cb 0.11 0.62 0.02 0.00 1.01 0.00 0.00 42.92 44.68 3guy s ASP 215 CO 0.84 -0.15 0.08 -0.51 0.21 0.00 0.00 175.17 175.64 3guy s ILE 216 N 0.75 -0.03 -0.10 0.77 2.07 -0.16 -4.96 121.20 119.55 3guy s ILE 216 Ca -0.05 0.10 0.03 0.00 -1.41 0.00 0.00 60.65 59.33 3guy s ILE 216 Cb -0.06 -0.13 -0.01 0.00 0.13 0.00 0.00 42.46 42.39 3guy s ILE 216 CO -0.05 0.04 -0.21 -0.89 -1.91 0.00 0.00 174.94 171.92 3guy s THR 217 N 0.59 2.35 -0.09 4.00 2.01 -1.26 -0.47 115.64 122.77 3guy s THR 217 Ca -0.05 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.05 3guy s THR 217 Cb -0.06 -1.92 0.01 0.00 0.01 0.00 0.00 72.50 70.54 3guy s THR 217 CO -0.02 0.55 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 3guy s VAL 218 N 0.21 1.36 0.16 3.82 1.01 -0.75 -4.97 120.40 121.25 3guy s VAL 218 Ca -0.13 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.33 3guy s VAL 218 Cb -0.16 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3guy s VAL 218 CO 0.07 0.41 -0.14 0.20 0.00 0.00 0.00 175.10 175.64 3guy s ASN 219 N 0.78 2.26 0.00 3.32 -0.87 -1.26 -0.58 114.94 118.58 3guy s ASN 219 Ca -0.12 -0.94 0.00 0.00 -1.57 0.00 0.00 52.86 50.23 3guy s ASN 219 Cb -0.16 -0.09 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 3guy s ASN 219 CO 0.02 -0.18 0.08 -1.14 -2.57 0.00 0.00 177.10 173.31