#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 4.16 -0.02 1.96 -1.09 -0.72 -0.66 121.20 124.83 3guy s ILE 2 Ca 0.00 -1.15 -0.23 0.00 -2.23 0.00 0.00 60.65 57.04 3guy s ILE 2 Cb 0.00 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 3guy s ILE 2 CO 0.00 -0.31 0.69 -0.69 -1.23 0.00 0.00 174.94 173.40 3guy s VAL 3 N 1.45 4.92 -0.14 2.92 1.01 -0.68 -1.33 120.40 128.56 3guy s VAL 3 Ca 0.01 1.44 -0.00 0.00 0.00 0.00 0.00 61.98 63.43 3guy s VAL 3 Cb -0.21 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.17 3guy s VAL 3 CO 0.04 0.33 -0.11 -0.63 0.00 0.00 0.00 175.10 174.73 3guy s ILE 4 N 0.28 1.30 0.37 2.22 1.01 -0.30 -0.66 121.20 125.42 3guy s ILE 4 Ca 0.36 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 3guy s ILE 4 Cb -0.19 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3guy s ILE 4 CO 0.19 0.39 0.59 0.42 0.00 0.00 0.00 174.94 176.52 3guy s THR 5 N 1.59 5.07 -1.54 2.92 -4.23 -0.16 -0.92 115.64 118.37 3guy s THR 5 Ca 0.04 -0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.14 3guy s THR 5 Cb -0.13 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 69.85 3guy s THR 5 CO -0.09 -0.61 0.69 0.61 -0.54 0.00 0.00 174.62 174.68 3guy n GLY 6 N -1.86 -0.53 1.03 3.99 0.00 -1.08 -2.14 105.19 104.60 3guy n GLY 6 Ca -0.04 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.76 2.44 0.11 4.61 0.00 -0.48 -3.85 120.51 119.58 3guy n ALA 7 Ca -0.10 -0.92 0.08 0.00 0.00 0.00 0.00 53.44 52.51 3guy n ALA 7 Cb 0.61 -0.94 0.55 0.00 0.00 0.00 0.00 19.45 19.68 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 3.78 0.20 -5.44 0.00 0.02 -1.90 -3.34 113.55 106.88 3guy h SER 8 Ca 0.00 -0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.14 3guy h SER 8 Cb 0.84 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 3guy h SER 8 CO 0.00 0.14 0.59 -0.94 -1.14 0.00 0.00 176.83 175.48 3guy s SER 9 N -6.77 -0.07 1.05 3.07 1.04 -1.26 -4.57 113.70 106.20 3guy s SER 9 Ca -0.06 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3guy s SER 9 Cb 0.18 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3guy s SER 9 CO 0.71 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.68 3guy n GLY 10 N -0.60 2.57 0.24 7.32 0.00 -1.26 -3.10 105.19 110.35 3guy n GLY 10 Ca -0.04 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 0.78 0.09 0.99 5.85 -1.85 -0.38 115.31 120.78 3guy h LEU 11 Ca 0.00 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.45 3guy h LEU 11 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3guy h LEU 11 CO 0.00 0.87 -0.16 1.23 -0.34 0.00 0.00 178.44 180.03 3guy h GLY 12 N 0.67 -0.29 0.65 3.75 0.00 -1.66 0.20 103.07 106.39 3guy h GLY 12 Ca 0.14 0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.73 3guy h GLY 12 CO 0.02 -0.16 0.43 0.00 0.00 0.00 0.00 176.54 176.83 3guy h ALA 13 N 0.54 1.02 -0.17 3.60 0.00 -1.42 -0.08 119.26 122.76 3guy h ALA 13 Ca 0.03 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3guy h ALA 13 Cb 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3guy h ALA 13 CO -0.10 0.11 -0.62 0.93 0.00 0.00 0.00 179.25 179.57 3guy h GLU 14 N 0.78 0.58 -0.59 0.00 4.39 -0.60 -2.13 114.58 117.01 3guy h GLU 14 Ca 0.34 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3guy h GLU 14 Cb 0.22 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3guy h GLU 14 CO -0.20 1.02 0.34 -0.07 -1.16 0.00 0.00 179.01 178.95 3guy h LEU 15 N 0.43 0.72 -0.62 1.33 3.38 -0.21 -2.71 115.31 117.63 3guy h LEU 15 Ca -0.01 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3guy h LEU 15 Cb 1.19 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 3guy h LEU 15 CO 0.12 0.58 0.20 0.00 0.09 0.00 0.00 178.44 179.43 3guy h ALA 16 N 1.16 0.78 -0.66 1.53 0.00 -0.69 -1.34 119.26 120.05 3guy h ALA 16 Ca 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3guy h ALA 16 Cb 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3guy h ALA 16 CO -0.04 -0.24 0.37 0.87 0.00 0.00 0.00 179.25 180.21 3guy h LYS 17 N 0.35 0.90 -0.15 0.00 1.57 -1.09 -1.03 116.57 117.11 3guy h LYS 17 Ca 0.32 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 3guy h LYS 17 Cb 0.43 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3guy h LYS 17 CO -0.35 0.65 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.84 3guy h LEU 18 N 0.91 0.50 -0.79 2.94 3.38 -1.00 -1.11 115.31 120.14 3guy h LEU 18 Ca 0.23 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3guy h LEU 18 Cb 0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3guy h LEU 18 CO -0.04 0.95 0.38 1.88 0.09 0.00 0.00 178.44 181.70 3guy h TYR 19 N 0.07 1.15 -0.09 1.13 0.05 -1.22 -2.86 116.97 115.19 3guy h TYR 19 Ca 0.01 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3guy h TYR 19 Cb 0.86 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 3guy h TYR 19 CO 0.10 0.84 0.06 0.22 -1.05 0.00 0.00 178.16 178.33 3guy h ASP 20 N 1.12 0.11 -0.01 3.88 3.58 -1.14 -2.39 116.42 121.57 3guy h ASP 20 Ca 0.27 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3guy h ASP 20 Cb 0.12 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 3guy h ASP 20 CO -0.03 0.09 0.09 0.00 -2.88 0.00 0.00 179.24 176.50 3guy h ALA 21 N 1.03 1.15 -0.12 -0.78 0.00 -1.00 0.34 119.26 119.87 3guy h ALA 21 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3guy h ALA 21 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3guy h ALA 21 CO -0.01 -0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.54 3guy n GLU 22 N -3.11 1.72 -0.40 0.00 1.02 -1.02 -4.94 120.64 113.90 3guy n GLU 22 Ca -0.03 -1.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 3guy n GLU 22 Cb 0.16 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.15 0.78 3.84 0.62 0.00 0.11 -5.06 105.19 106.62 3guy n GLY 23 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.60 3.85 0.18 1.61 1.02 -0.93 -5.02 119.74 119.85 3guy s LYS 24 Ca 0.00 0.33 -0.30 0.00 0.02 0.00 0.00 55.97 56.02 3guy s LYS 24 Cb 0.00 -3.22 -0.08 0.00 -0.52 0.00 0.00 37.83 34.01 3guy s LYS 24 CO 0.00 0.70 1.13 0.00 -0.92 0.00 0.00 175.35 176.26 3guy s ALA 25 N -1.05 3.39 0.28 5.17 0.00 -1.26 -4.19 121.76 124.09 3guy s ALA 25 Ca 0.22 0.85 0.12 0.00 0.00 0.00 0.00 51.96 53.15 3guy s ALA 25 Cb -0.16 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3guy s ALA 25 CO 0.12 -0.25 -0.17 0.95 0.00 0.00 0.00 175.76 176.41 3guy s THR 26 N -0.21 2.59 -0.08 0.00 -4.23 -1.24 -1.76 115.64 110.71 3guy s THR 26 Ca 0.50 -2.33 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 3guy s THR 26 Cb -0.30 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.17 3guy s THR 26 CO 0.36 -0.38 -0.00 -0.47 -0.54 0.00 0.00 174.62 173.58 3guy s TYR 27 N -2.49 0.75 -0.06 3.99 5.04 -0.44 -0.75 117.35 123.39 3guy s TYR 27 Ca 0.30 -0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 54.68 3guy s TYR 27 Cb -0.05 -0.85 -0.04 0.00 0.35 0.00 0.00 41.96 41.38 3guy s TYR 27 CO 0.16 -0.35 0.03 -0.51 -1.34 0.00 0.00 175.55 173.53 3guy s LEU 28 N 1.95 3.70 0.15 6.97 1.43 -0.85 -1.15 118.68 130.88 3guy s LEU 28 Ca 0.05 0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 3guy s LEU 28 Cb -0.12 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3guy s LEU 28 CO -0.06 0.34 -0.13 0.28 0.23 0.00 0.00 176.35 177.01 3guy s THR 29 N -1.00 1.37 0.00 5.49 -1.32 -0.10 -1.61 115.64 118.48 3guy s THR 29 Ca 0.17 -1.93 -0.07 0.00 -1.21 0.00 0.00 61.69 58.65 3guy s THR 29 Cb -0.12 -1.74 0.02 0.00 -1.51 0.00 0.00 72.50 69.16 3guy s THR 29 CO 0.06 -0.55 0.32 0.61 -2.21 0.00 0.00 174.62 172.85 3guy n GLY 30 N 0.12 0.64 0.13 6.08 0.00 -1.21 -1.38 105.19 109.58 3guy n GLY 30 Ca -0.12 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 3guy n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3guy h ARG 31 N 0.00 0.28 -5.54 1.61 3.08 -1.91 0.42 114.38 112.32 3guy h ARG 31 Ca -0.06 -0.49 -0.63 0.00 0.07 0.00 0.00 59.98 58.87 3guy h ARG 31 Cb 0.31 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 30.40 3guy h ARG 31 CO 0.08 1.17 0.20 0.45 -1.07 0.00 0.00 179.97 180.80 3guy s SER 32 N -7.03 6.42 0.21 7.04 0.15 -1.26 -4.54 113.70 114.68 3guy s SER 32 Ca -0.16 0.03 -0.11 0.00 0.70 0.00 0.00 55.95 56.41 3guy s SER 32 Cb 0.06 -2.34 0.27 0.00 -1.71 0.00 0.00 66.02 62.31 3guy s SER 32 CO 0.82 -0.69 1.67 -0.08 1.20 0.00 0.00 173.24 176.16 3guy h GLU 33 N 8.62 0.14 -0.15 5.44 4.57 -1.95 -1.44 114.58 129.80 3guy h GLU 33 Ca -0.26 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 57.77 3guy h GLU 33 Cb 1.10 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 3guy h GLU 33 CO 0.87 0.09 -0.52 0.66 -1.18 0.00 0.00 179.01 178.93 3guy h SER 34 N 0.14 0.45 -0.15 1.04 4.64 -1.99 -0.88 113.55 116.80 3guy h SER 34 Ca 0.31 -0.23 -0.22 0.00 -0.47 0.00 0.00 61.79 61.17 3guy h SER 34 Cb 0.49 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3guy h SER 34 CO -0.48 0.89 -0.78 0.11 -0.87 0.00 0.00 176.83 175.70 3guy h LYS 35 N 0.32 0.80 -0.74 4.77 1.57 -1.88 -2.53 116.57 118.88 3guy h LYS 35 Ca 0.01 -0.65 0.02 0.00 -1.87 0.00 0.00 60.65 58.16 3guy h LYS 35 Cb 1.02 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 3guy h LYS 35 CO 0.09 1.26 0.47 -0.07 -0.57 0.00 0.00 179.45 180.63 3guy h LEU 36 N 0.53 0.79 -0.69 2.94 3.38 -1.14 -1.45 115.31 119.68 3guy h LEU 36 Ca -0.05 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.00 3guy h LEU 36 Cb 1.41 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 3guy h LEU 36 CO 0.16 0.55 0.33 -1.28 0.09 0.00 0.00 178.44 178.29 3guy h SER 37 N 0.94 0.42 -0.53 -0.43 0.87 -1.15 0.19 113.55 113.86 3guy h SER 37 Ca 0.29 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3guy h SER 37 Cb -0.02 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3guy h SER 37 CO -0.10 0.24 0.31 0.74 -0.53 0.00 0.00 176.83 177.49 3guy h THR 38 N 0.56 1.16 -0.17 2.23 2.02 -0.85 -2.10 112.91 115.77 3guy h THR 38 Ca 0.34 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 3guy h THR 38 Cb 0.36 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3guy h THR 38 CO -0.27 0.17 -0.11 0.58 0.37 0.00 0.00 175.52 176.26 3guy h VAL 39 N 0.70 1.32 -0.54 3.16 2.07 -0.81 -2.98 116.25 119.17 3guy h VAL 39 Ca 0.19 -1.20 0.12 0.00 0.82 0.00 0.00 66.70 66.63 3guy h VAL 39 Cb 0.00 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3guy h VAL 39 CO -0.03 0.36 0.37 0.74 0.02 0.00 0.00 177.57 179.03 3guy h THR 40 N 0.05 0.83 0.00 2.57 2.02 -0.86 -0.75 112.91 116.76 3guy h THR 40 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3guy h THR 40 Cb 0.61 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3guy h THR 40 CO 0.03 0.04 0.00 0.78 0.37 0.00 0.00 175.52 176.74 3guy h ASN 41 N 0.21 0.00 0.81 4.18 2.35 -1.22 -2.04 115.58 119.88 3guy h ASN 41 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3guy h ASN 41 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3guy h ASN 41 CO -0.05 0.00 -0.11 0.00 -1.65 0.00 0.00 177.43 175.63 3guy s LEU 43 N -2.92 3.28 -0.00 0.00 1.43 -0.77 -5.02 118.68 114.68 3guy s LEU 43 Ca 0.16 -0.14 0.13 0.00 -1.03 0.00 0.00 54.13 53.25 3guy s LEU 43 Cb 0.19 -1.92 -0.16 0.00 0.03 0.00 0.00 46.19 44.33 3guy s LEU 43 CO 0.55 0.26 0.52 -1.54 0.23 0.00 0.00 176.35 176.37 3guy n SER 44 N 1.29 0.84 -0.01 2.29 3.41 -1.26 -4.63 113.62 115.55 3guy n SER 44 Ca -0.14 -0.68 0.01 0.00 -0.26 0.00 0.00 58.87 57.80 3guy n SER 44 Cb 0.52 1.11 0.01 0.00 -0.26 0.00 0.00 64.21 65.59 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 -1.43 1.85 -4.76 4.04 3.02 -1.26 -5.05 115.26 111.67 3guy n ASN 45 Ca 0.02 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.18 3guy n ASN 45 Cb 0.24 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3guy n ASN 45 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3guy s ASN 46 N -1.02 6.97 -0.17 6.41 3.84 -1.26 -3.70 114.94 126.01 3guy s ASN 46 Ca 0.02 2.52 0.16 0.00 0.21 0.00 0.00 52.86 55.76 3guy s ASN 46 Cb 0.01 -2.64 0.41 0.00 -0.55 0.00 0.00 41.25 38.48 3guy s ASN 46 CO 0.00 -0.38 1.28 1.33 -2.79 0.00 0.00 177.10 176.55 3guy n VAL 47 N 0.99 2.13 0.00 -5.21 0.24 0.07 -4.88 118.33 111.67 3guy n VAL 47 Ca -0.00 -2.34 0.00 0.00 -2.04 0.00 0.00 64.34 59.96 3guy n VAL 47 Cb 0.43 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 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 -1.08 4.12 3.40 7.63 0.00 -1.25 -4.94 105.19 113.08 3guy n GLY 48 Ca 0.20 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.47 -0.30 1.61 -0.85 -1.26 -2.01 117.35 112.08 3guy s TYR 49 Ca 0.00 0.28 -0.11 0.00 -0.52 0.00 0.00 57.07 56.71 3guy s TYR 49 Cb 0.00 0.48 0.13 0.00 0.38 0.00 0.00 41.96 42.95 3guy s TYR 49 CO 0.00 -0.80 0.69 0.50 -1.52 0.00 0.00 175.55 174.42 3guy s ARG 50 N -3.60 0.56 0.24 -3.49 3.52 -0.63 -4.96 118.95 110.58 3guy s ARG 50 Ca 0.01 1.36 -0.30 0.00 -0.13 0.00 0.00 55.73 56.67 3guy s ARG 50 Cb -0.00 0.75 -0.10 0.00 -1.56 0.00 0.00 34.95 34.04 3guy s ARG 50 CO -0.11 -0.18 1.40 0.00 -0.81 0.00 0.00 175.30 175.59 3guy s ALA 51 N 2.71 3.60 -0.07 6.12 0.00 -1.26 -3.29 121.76 129.58 3guy s ALA 51 Ca -0.06 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 3guy s ALA 51 Cb -0.11 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3guy s ALA 51 CO -0.19 -0.68 0.27 1.03 0.00 0.00 0.00 175.76 176.18 3guy s ARG 52 N -0.33 0.43 -0.45 0.00 1.81 0.15 -4.90 118.95 115.66 3guy s ARG 52 Ca 0.58 0.13 -0.20 0.00 -1.72 0.00 0.00 55.73 54.52 3guy s ARG 52 Cb -0.40 0.20 0.03 0.00 -0.45 0.00 0.00 34.95 34.32 3guy s ARG 52 CO 0.42 -0.09 0.63 0.34 -0.68 0.00 0.00 175.30 175.93 3guy s ASP 53 N -0.44 6.30 0.04 0.23 2.15 -1.26 -4.07 116.67 119.62 3guy s ASP 53 Ca -0.06 -0.44 0.22 0.00 0.43 0.00 0.00 52.55 52.71 3guy s ASP 53 Cb -0.04 -2.31 0.90 0.00 -0.30 0.00 0.00 42.92 41.17 3guy s ASP 53 CO 0.02 -0.79 1.69 0.18 -0.17 0.00 0.00 175.17 176.09 3guy n LEU 54 N 6.24 0.14 0.18 -1.34 4.77 -1.26 -2.21 117.00 123.52 3guy n LEU 54 Ca -0.03 0.52 0.14 0.00 -0.03 0.00 0.00 56.01 56.62 3guy n LEU 54 Cb 0.47 -0.49 0.51 0.00 -2.33 0.00 0.00 43.42 41.58 3guy n LEU 54 CO 0.53 -0.18 0.90 0.00 -1.33 0.00 0.00 177.39 177.31 3guy h ALA 55 N 2.66 1.00 -2.85 -1.18 0.00 -1.85 -3.34 119.26 113.70 3guy h ALA 55 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3guy h ALA 55 Cb 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.02 3guy h ALA 55 CO 0.00 0.00 -0.42 0.45 0.00 0.00 0.00 179.25 179.28 3guy s SER 56 N -4.95 6.10 0.36 0.00 0.15 -0.94 -4.88 113.70 109.54 3guy s SER 56 Ca 0.04 0.10 0.14 0.00 0.70 0.00 0.00 55.95 56.93 3guy s SER 56 Cb 0.09 -2.15 0.69 0.00 -1.71 0.00 0.00 66.02 62.94 3guy s SER 56 CO 0.50 -0.09 1.79 1.12 1.20 0.00 0.00 173.24 177.76 3guy h HIS 57 N 8.25 0.00 -0.02 3.44 2.07 -1.86 -2.25 115.15 124.78 3guy h HIS 57 Ca -0.34 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.18 3guy h HIS 57 Cb 1.18 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.16 3guy h HIS 57 CO 0.75 0.41 0.01 1.96 -3.07 0.00 0.00 177.93 177.99 3guy h GLN 58 N 0.00 0.02 -0.70 5.12 7.50 -1.94 -0.53 115.11 124.58 3guy h GLN 58 Ca -0.00 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.14 3guy h GLN 58 Cb 0.75 -0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.25 3guy h GLN 58 CO 0.05 0.12 0.44 0.93 -1.50 0.00 0.00 178.83 178.87 3guy h GLU 59 N -0.08 0.93 -0.26 1.46 5.08 -1.78 -1.09 114.58 118.85 3guy h GLU 59 Ca 0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3guy h GLU 59 Cb 0.10 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3guy h GLU 59 CO -0.00 0.64 -0.11 0.28 -1.00 0.00 0.00 179.01 178.82 3guy h VAL 60 N 0.96 1.29 -0.91 3.13 2.07 -1.26 -0.32 116.25 121.20 3guy h VAL 60 Ca 0.25 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.68 3guy h VAL 60 Cb -0.07 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3guy h VAL 60 CO -0.05 0.37 0.57 -0.08 0.02 0.00 0.00 177.57 178.40 3guy h GLU 61 N 0.26 0.99 -0.20 1.57 4.81 -0.81 -2.81 114.58 118.39 3guy h GLU 61 Ca 0.06 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 3guy h GLU 61 Cb 0.60 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3guy h GLU 61 CO 0.03 0.66 -0.56 1.96 -0.73 0.00 0.00 179.01 180.37 3guy h GLN 62 N 1.02 0.61 -0.57 1.92 1.08 -0.88 -0.53 115.11 117.75 3guy h GLN 62 Ca 0.41 -0.39 0.12 0.00 -1.45 0.00 0.00 58.65 57.33 3guy h GLN 62 Cb 0.22 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 27.59 3guy h GLN 62 CO -0.19 1.00 -0.12 1.25 -0.95 0.00 0.00 178.83 179.83 3guy h LEU 63 N 0.47 -0.49 0.04 1.46 5.85 -0.81 -2.17 115.31 119.67 3guy h LEU 63 Ca 0.01 0.17 -0.28 0.00 0.84 0.00 0.00 57.88 58.62 3guy h LEU 63 Cb 1.11 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3guy h LEU 63 CO 0.11 -0.18 -1.47 -0.26 -0.34 0.00 0.00 178.44 176.30 3guy h PHE 64 N 0.02 0.17 -0.94 1.25 0.04 -1.36 -3.28 116.94 112.84 3guy h PHE 64 Ca 0.28 -0.12 0.13 0.00 2.80 0.00 0.00 57.97 61.06 3guy h PHE 64 Cb 0.43 -0.01 -0.09 0.00 2.20 0.00 0.00 35.95 38.49 3guy h PHE 64 CO -0.45 1.16 0.56 1.49 -0.60 0.00 0.00 178.31 180.47 3guy h GLU 65 N 0.03 0.82 0.00 1.51 4.57 -0.98 -2.66 114.58 117.87 3guy h GLU 65 Ca -0.20 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3guy h GLU 65 Cb 1.95 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.35 3guy h GLU 65 CO 0.12 0.54 0.00 1.04 -1.18 0.00 0.00 179.01 179.53 3guy n GLN 66 N -4.72 0.30 -2.24 1.92 1.13 -0.82 -4.85 117.38 108.10 3guy n GLN 66 Ca 0.18 0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.86 3guy n GLN 66 Cb 0.39 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.22 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 -2.69 4.28 0.00 1.08 1.43 -1.00 -4.94 118.68 116.84 3guy s LEU 67 Ca 0.24 2.45 0.25 0.00 -1.03 0.00 0.00 54.13 56.04 3guy s LEU 67 Cb 0.19 -3.89 0.49 0.00 0.03 0.00 0.00 46.19 43.02 3guy s LEU 67 CO 0.47 -0.62 1.41 0.47 0.23 0.00 0.00 176.35 178.31 3guy n ASP 68 N 0.35 0.53 -4.10 2.29 8.00 -1.26 -4.90 116.55 117.46 3guy n ASP 68 Ca 0.03 -0.29 -0.10 0.00 0.71 0.00 0.00 54.79 55.13 3guy n ASP 68 Cb 0.45 0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 41.73 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 -2.98 0.17 -0.07 -2.24 1.04 -1.26 -5.14 113.70 103.22 3guy s SER 69 Ca 0.11 -1.13 -0.30 0.00 0.48 0.00 0.00 55.95 55.11 3guy s SER 69 Cb 0.18 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3guy s SER 69 CO 0.70 -0.83 1.14 -0.63 0.98 0.00 0.00 173.24 174.59 3guy s ILE 70 N -4.05 4.42 0.48 -1.02 1.01 -1.26 -5.02 121.20 115.77 3guy s ILE 70 Ca 0.25 1.73 -0.24 0.00 0.00 0.00 0.00 60.65 62.40 3guy s ILE 70 Cb 0.06 -4.11 -0.07 0.00 0.01 0.00 0.00 42.46 38.35 3guy s ILE 70 CO 0.04 0.00 1.32 -2.84 0.00 0.00 0.00 174.94 173.47 3guy s PRO 71 N 2.14 3.54 -0.08 2.79 0.02 -1.26 -4.64 135.00 137.51 3guy s PRO 71 Ca 0.53 2.17 0.12 0.00 0.02 0.00 0.00 61.00 63.84 3guy s PRO 71 Cb -0.23 -2.47 -0.23 0.00 0.02 0.00 0.00 34.50 31.59 3guy s PRO 71 CO 0.21 -0.85 0.54 -1.13 -0.33 0.00 0.00 177.00 175.44 3guy n SER 72 N -0.51 0.85 -3.88 2.53 3.41 0.16 -4.67 113.62 111.51 3guy n SER 72 Ca 0.07 0.33 -0.14 0.00 -0.26 0.00 0.00 58.87 58.87 3guy n SER 72 Cb 0.45 0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 64.28 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 -2.58 0.15 -0.12 6.66 2.01 -1.09 -1.02 115.64 119.65 3guy s THR 73 Ca -0.07 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.90 3guy s THR 73 Cb 0.08 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.45 3guy s THR 73 CO 0.82 0.06 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.97 3guy s VAL 74 N 0.17 1.54 -0.24 3.82 1.01 0.05 -1.69 120.40 125.06 3guy s VAL 74 Ca -0.01 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 3guy s VAL 74 Cb -0.03 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3guy s VAL 74 CO -0.00 0.45 0.09 -0.69 0.00 0.00 0.00 175.10 174.95 3guy s VAL 75 N 1.11 4.58 -0.47 2.92 1.01 0.17 -0.41 120.40 129.31 3guy s VAL 75 Ca -0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 3guy s VAL 75 Cb -0.14 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.19 3guy s VAL 75 CO -0.04 0.34 0.38 -2.28 0.00 0.00 0.00 175.10 173.50 3guy s HIS 76 N 1.43 3.27 -0.04 5.22 2.46 0.38 -0.99 115.29 127.02 3guy s HIS 76 Ca 0.06 -1.16 0.07 0.00 0.47 0.00 0.00 55.06 54.50 3guy s HIS 76 Cb -0.15 -3.23 0.10 0.00 -0.13 0.00 0.00 32.58 29.17 3guy s HIS 76 CO 0.05 -0.85 1.04 -1.13 -2.47 0.00 0.00 174.74 171.38 3guy n SER 77 N 5.13 2.06 -4.77 9.88 3.41 -0.91 -1.70 113.62 126.72 3guy n SER 77 Ca -0.12 -2.36 -0.41 0.00 -0.26 0.00 0.00 58.87 55.73 3guy n SER 77 Cb 0.43 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.62 3.50 0.00 7.33 0.00 -1.24 -4.55 121.76 125.18 3guy s ALA 78 Ca 0.11 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3guy s ALA 78 Cb 0.10 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3guy s ALA 78 CO 0.01 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3guy n GLY 79 N 0.86 1.00 3.77 0.00 0.00 -1.24 -4.81 105.19 104.77 3guy n GLY 79 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 -0.22 0.22 1.61 1.04 -1.26 -4.95 113.70 110.15 3guy s SER 80 Ca 0.00 -0.69 0.11 0.00 0.48 0.00 0.00 55.95 55.85 3guy s SER 80 Cb 0.00 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.76 3guy s SER 80 CO 0.00 -1.28 -0.22 -0.83 0.98 0.00 0.00 173.24 171.89 3guy s GLY 81 N -2.94 1.75 -0.28 7.32 0.00 -1.26 -4.91 107.32 107.00 3guy s GLY 81 Ca 0.14 -1.72 -0.22 0.00 0.00 0.00 0.00 44.72 42.92 3guy s GLY 81 CO 0.07 -1.78 0.90 -0.47 0.00 0.00 0.00 173.10 171.82 3guy s TYR 82 N -2.05 -0.65 0.12 1.90 5.04 -1.26 -5.03 117.35 115.42 3guy s TYR 82 Ca 0.24 1.48 -0.08 0.00 -2.44 0.00 0.00 57.07 56.27 3guy s TYR 82 Cb -0.06 0.37 -0.01 0.00 0.35 0.00 0.00 41.96 42.61 3guy s TYR 82 CO 0.11 -0.32 0.21 -0.06 -1.34 0.00 0.00 175.55 174.16 3guy s PHE 83 N 0.65 0.32 0.00 4.97 0.08 -1.26 -4.45 117.98 118.29 3guy s PHE 83 Ca -0.01 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.31 3guy s PHE 83 Cb -0.05 -0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.30 3guy s PHE 83 CO -0.08 -0.61 0.00 0.41 -0.10 0.00 0.00 175.22 174.85 3guy n GLY 84 N -0.12 4.57 3.76 4.36 0.00 -0.27 -4.89 105.19 112.59 3guy n GLY 84 Ca -0.11 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 3.93 0.25 0.99 1.43 -1.26 -4.25 118.68 119.76 3guy s LEU 85 Ca 0.00 2.77 -0.04 0.00 -1.03 0.00 0.00 54.13 55.83 3guy s LEU 85 Cb 0.00 -4.18 0.37 0.00 0.03 0.00 0.00 46.19 42.41 3guy s LEU 85 CO 0.00 -1.42 1.84 0.25 0.23 0.00 0.00 176.35 177.25 3guy h LEU 86 N 1.73 0.81 -1.27 1.79 5.85 -1.97 0.07 115.31 122.33 3guy h LEU 86 Ca -0.51 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3guy h LEU 86 Cb 1.29 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3guy h LEU 86 CO 0.58 0.50 0.00 0.06 -0.34 0.00 0.00 178.44 179.24 3guy h GLN 87 N 0.94 0.00 0.00 1.25 -0.00 -2.04 -2.36 115.11 112.89 3guy h GLN 87 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.04 3guy h GLN 87 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 3guy h GLN 87 CO -0.20 0.00 -1.14 0.39 -0.00 0.00 0.00 178.83 177.88 3guy n GLU 88 N -2.47 0.51 -2.12 0.06 -0.58 -0.00 -4.92 120.64 111.11 3guy n GLU 88 Ca 0.00 0.03 -0.41 0.00 -0.42 0.00 0.00 57.16 56.37 3guy n GLU 88 Cb 0.17 -1.71 -0.02 0.00 -0.57 0.00 0.00 31.44 29.31 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 -3.33 4.35 -0.16 3.49 -0.21 -0.89 -4.99 119.66 117.93 3guy s GLN 89 Ca -0.00 2.20 -0.29 0.00 0.02 0.00 0.00 55.36 57.29 3guy s GLN 89 Cb 0.12 -3.09 -0.00 0.00 1.00 0.00 0.00 33.01 31.03 3guy s GLN 89 CO 0.81 -0.23 1.00 0.34 -2.12 0.00 0.00 175.29 175.09 3guy s ASP 90 N -0.25 7.17 0.34 5.90 -1.08 -1.26 -4.98 116.67 122.52 3guy s ASP 90 Ca 0.52 1.45 0.07 0.00 -0.52 0.00 0.00 52.55 54.06 3guy s ASP 90 Cb -0.40 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.27 3guy s ASP 90 CO 0.49 -0.52 1.88 -0.65 0.52 0.00 0.00 175.17 176.89 3guy h PRO 91 N 7.24 0.75 -0.42 4.34 0.11 -1.97 -0.38 132.00 141.68 3guy h PRO 91 Ca -0.27 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3guy h PRO 91 Cb 1.11 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3guy h PRO 91 CO 0.90 0.50 0.26 0.93 -0.21 0.00 0.00 178.00 180.38 3guy h GLU 92 N 0.77 0.56 0.04 1.05 5.08 -2.00 -1.06 114.58 119.02 3guy h GLU 92 Ca 0.43 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.52 3guy h GLU 92 Cb 0.56 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3guy h GLU 92 CO -0.19 0.39 -1.08 1.96 -1.00 0.00 0.00 179.01 179.09 3guy h GLN 93 N 0.57 0.09 -0.98 2.33 4.20 -1.56 -2.81 115.11 116.95 3guy h GLN 93 Ca 0.15 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3guy h GLN 93 Cb -0.04 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3guy h GLN 93 CO -0.03 1.07 0.65 0.82 -0.67 0.00 0.00 178.83 180.67 3guy h ILE 94 N 0.02 1.25 -0.30 2.54 2.04 -0.57 -1.80 117.51 120.69 3guy h ILE 94 Ca -0.05 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3guy h ILE 94 Cb 1.83 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3guy h ILE 94 CO 0.15 0.24 0.10 -0.61 0.00 0.00 0.00 178.15 178.03 3guy h GLN 95 N 1.32 0.47 -0.83 2.37 5.75 -1.12 -1.85 115.11 121.21 3guy h GLN 95 Ca 0.36 -0.10 0.11 0.00 -0.15 0.00 0.00 58.65 58.87 3guy h GLN 95 Cb -0.15 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.25 3guy h GLN 95 CO -0.08 0.51 0.45 1.15 -2.65 0.00 0.00 178.83 178.22 3guy h THR 96 N 0.33 0.84 -0.52 2.39 2.02 -1.42 -0.99 112.91 115.55 3guy h THR 96 Ca 0.10 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3guy h THR 96 Cb 0.24 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 3guy h THR 96 CO -0.00 0.13 0.34 0.25 0.37 0.00 0.00 175.52 176.60 3guy h LEU 97 N 0.72 0.60 -0.37 2.58 5.85 -0.84 0.65 115.31 124.49 3guy h LEU 97 Ca 0.42 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 3guy h LEU 97 Cb 0.47 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3guy h LEU 97 CO -0.29 0.44 0.20 0.40 -0.34 0.00 0.00 178.44 178.85 3guy h ILE 98 N 0.70 1.14 -0.34 4.05 2.04 -0.91 -1.97 117.51 122.22 3guy h ILE 98 Ca 0.19 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3guy h ILE 98 Cb -0.07 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3guy h ILE 98 CO -0.04 0.15 0.20 -0.33 0.00 0.00 0.00 178.15 178.13 3guy h GLU 99 N 0.47 0.46 -0.04 2.37 5.08 -0.93 0.99 114.58 122.98 3guy h GLU 99 Ca 0.13 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 3guy h GLU 99 Cb 0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3guy h GLU 99 CO -0.02 0.36 -0.68 -0.91 -1.00 0.00 0.00 179.01 176.76 3guy h ASN 100 N 0.43 0.24 0.00 1.42 2.35 -0.84 -2.79 115.58 116.39 3guy h ASN 100 Ca 0.12 -0.16 -0.29 0.00 -0.55 0.00 0.00 56.30 55.43 3guy h ASN 100 Cb 0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 3guy h ASN 100 CO -0.02 0.85 -1.94 0.59 -1.65 0.00 0.00 177.43 175.26 3guy n ASN 101 N -3.81 1.88 -0.09 5.81 3.02 -0.75 -3.69 115.26 117.64 3guy n ASN 101 Ca -0.03 0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 54.69 3guy n ASN 101 Cb 0.67 -0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.95 0.00 -0.91 3.41 5.85 -1.02 -3.10 115.31 118.59 3guy h LEU 102 Ca -0.44 -0.53 -0.03 0.00 0.84 0.00 0.00 57.88 57.72 3guy h LEU 102 Cb 1.36 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 3guy h LEU 102 CO -0.26 1.18 0.39 0.28 -0.34 0.00 0.00 178.44 179.69 3guy h SER 103 N -1.00 1.07 -0.31 1.25 0.02 -1.26 -0.17 113.55 113.14 3guy h SER 103 Ca -0.18 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3guy h SER 103 Cb 1.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3guy h SER 103 CO -0.11 0.90 0.18 0.77 -1.14 0.00 0.00 176.83 177.43 3guy h SER 104 N 1.17 0.39 -0.42 3.07 4.64 -1.62 -0.50 113.55 120.28 3guy h SER 104 Ca 0.28 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3guy h SER 104 Cb 0.12 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3guy h SER 104 CO -0.04 0.35 0.21 0.00 -0.87 0.00 0.00 176.83 176.49 3guy h ALA 105 N 1.05 0.54 0.07 5.18 0.00 -1.35 -1.53 119.26 123.22 3guy h ALA 105 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3guy h ALA 105 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3guy h ALA 105 CO -0.02 0.09 -0.03 0.82 0.00 0.00 0.00 179.25 180.11 3guy h ILE 106 N 0.54 0.95 -0.53 0.00 2.04 -0.90 -1.03 117.51 118.59 3guy h ILE 106 Ca 0.15 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3guy h ILE 106 Cb 0.10 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3guy h ILE 106 CO -0.02 0.01 0.22 0.78 0.00 0.00 0.00 178.15 179.14 3guy h ASN 107 N -0.12 0.72 0.08 1.72 2.35 -0.99 0.11 115.58 119.44 3guy h ASN 107 Ca -0.01 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3guy h ASN 107 Cb 0.09 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3guy h ASN 107 CO 0.02 0.68 -0.04 0.58 -1.65 0.00 0.00 177.43 177.02 3guy h VAL 108 N 0.71 1.10 -0.40 2.81 2.07 -1.28 -1.93 116.25 119.32 3guy h VAL 108 Ca 0.18 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 3guy h VAL 108 Cb 0.18 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3guy h VAL 108 CO -0.02 0.16 -0.07 0.25 0.02 0.00 0.00 177.57 177.91 3guy h LEU 109 N -0.39 0.65 -0.40 2.57 5.85 -1.10 -0.83 115.31 121.66 3guy h LEU 109 Ca -0.01 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 3guy h LEU 109 Cb 0.34 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3guy h LEU 109 CO 0.02 0.76 0.10 -0.09 -0.34 0.00 0.00 178.44 178.89 3guy h ARG 110 N 0.62 0.63 -0.62 1.25 2.43 -0.74 -0.90 114.38 117.05 3guy h ARG 110 Ca 0.12 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3guy h ARG 110 Cb 0.49 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3guy h ARG 110 CO 0.03 0.66 0.12 1.49 -1.51 0.00 0.00 179.97 180.75 3guy h GLU 111 N 0.50 1.01 -0.64 0.20 4.57 -1.13 -0.64 114.58 118.45 3guy h GLU 111 Ca 0.12 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 3guy h GLU 111 Cb 0.31 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3guy h GLU 111 CO 0.00 0.94 0.26 -0.07 -1.18 0.00 0.00 179.01 178.96 3guy h LEU 112 N 0.93 0.86 -0.25 1.64 3.38 -0.98 -1.29 115.31 119.59 3guy h LEU 112 Ca 0.19 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 3guy h LEU 112 Cb 0.41 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3guy h LEU 112 CO 0.01 0.76 -0.76 0.58 0.09 0.00 0.00 178.44 179.12 3guy h VAL 113 N 0.92 1.31 0.00 1.22 2.07 -0.91 0.79 116.25 121.66 3guy h VAL 113 Ca 0.22 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 3guy h VAL 113 Cb 0.17 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3guy h VAL 113 CO -0.02 0.63 -0.00 0.50 0.02 0.00 0.00 177.57 178.70 3guy h LYS 114 N 0.45 -0.00 0.15 1.57 3.64 -0.91 -3.06 116.57 118.42 3guy h LYS 114 Ca -0.04 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.02 3guy h LYS 114 Cb 1.37 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.20 3guy h LYS 114 CO 0.15 0.05 -1.51 0.00 -2.27 0.00 0.00 179.45 175.87 3guy h ARG 115 N -0.06 0.33 0.00 1.90 3.08 -1.27 -3.43 114.38 114.93 3guy h ARG 115 Ca -0.00 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.49 3guy h ARG 115 Cb 0.06 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3guy h ARG 115 CO 0.00 1.22 0.00 0.66 -1.07 0.00 0.00 179.97 180.78 3guy n TYR 116 N -3.53 0.00 0.02 3.04 4.01 0.27 -4.78 117.16 116.18 3guy n TYR 116 Ca -0.16 -0.26 0.20 0.00 -0.16 0.00 0.00 57.90 57.52 3guy n TYR 116 Cb 1.06 -0.03 0.71 0.00 -0.31 0.00 0.00 39.34 40.77 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 -0.69 -0.72 2.10 -1.52 0.52 116.57 116.26 3guy h LYS 117 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 3guy h LYS 117 Cb 0.68 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.96 3guy h LYS 117 CO 0.00 0.00 0.12 -0.25 -2.00 0.00 0.00 179.45 177.32 3guy n ASP 118 N -4.25 5.05 -4.38 7.07 8.00 -1.26 -3.03 116.55 123.75 3guy n ASP 118 Ca 0.09 -2.98 -0.26 0.00 0.71 0.00 0.00 54.79 52.35 3guy n ASP 118 Cb 0.60 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.70 1.39 -1.23 -1.24 -1.52 0.17 -4.86 119.66 109.66 3guy s GLN 119 Ca 0.51 -1.41 -0.19 0.00 -1.95 0.00 0.00 55.36 52.32 3guy s GLN 119 Cb 0.39 -1.69 0.07 0.00 -0.22 0.00 0.00 33.01 31.56 3guy s GLN 119 CO 0.14 0.38 1.65 -1.25 -0.25 0.00 0.00 175.29 175.95 3guy s PRO 120 N -2.43 3.91 -0.10 2.91 0.04 -1.26 -2.72 135.00 135.35 3guy s PRO 120 Ca 0.16 -1.87 0.00 0.00 0.04 0.00 0.00 61.00 59.33 3guy s PRO 120 Cb -0.08 -5.46 -0.02 0.00 0.04 0.00 0.00 34.50 28.97 3guy s PRO 120 CO 0.07 -2.21 -0.10 0.08 0.04 0.00 0.00 177.00 174.89 3guy s VAL 121 N 4.15 3.34 -0.27 -0.36 1.01 -1.26 -4.76 120.40 122.26 3guy s VAL 121 Ca 0.51 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 3guy s VAL 121 Cb 0.03 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3guy s VAL 121 CO 0.04 0.55 0.36 0.20 0.00 0.00 0.00 175.10 176.24 3guy s ASN 122 N -0.13 6.23 -0.38 3.32 0.01 -0.19 -1.89 114.94 121.91 3guy s ASN 122 Ca 0.00 0.27 -0.08 0.00 -0.71 0.00 0.00 52.86 52.33 3guy s ASN 122 Cb -0.13 -2.20 0.05 0.00 0.41 0.00 0.00 41.25 39.38 3guy s ASN 122 CO 0.03 -0.17 0.18 -0.69 -1.51 0.00 0.00 177.10 174.94 3guy s VAL 123 N 2.04 4.08 -0.40 1.60 1.01 0.40 -0.77 120.40 128.37 3guy s VAL 123 Ca 0.14 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 3guy s VAL 123 Cb -0.16 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3guy s VAL 123 CO 0.10 -0.33 0.53 -0.69 0.00 0.00 0.00 175.10 174.71 3guy s VAL 124 N 1.43 4.98 -0.38 2.92 1.01 0.45 -0.34 120.40 130.46 3guy s VAL 124 Ca 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 3guy s VAL 124 Cb -0.21 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.13 3guy s VAL 124 CO 0.03 -0.42 0.24 -0.04 0.00 0.00 0.00 175.10 174.91 3guy s MET 125 N 2.45 2.89 -0.22 2.72 -1.94 0.54 -0.47 119.30 125.27 3guy s MET 125 Ca 0.18 -1.05 -0.19 0.00 -1.71 0.00 0.00 55.69 52.91 3guy s MET 125 Cb -0.16 -3.81 -0.03 0.00 2.01 0.00 0.00 34.83 32.85 3guy s MET 125 CO 0.15 -0.71 0.56 0.42 -0.01 0.00 0.00 175.02 175.43 3guy s ILE 126 N 1.60 5.06 0.00 2.53 1.01 -0.69 -2.13 121.20 128.58 3guy s ILE 126 Ca 0.03 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.70 3guy s ILE 126 Cb -0.19 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3guy s ILE 126 CO 0.08 0.12 0.00 0.23 0.00 0.00 0.00 174.94 175.37 3guy n MET 127 N 5.11 0.00 0.00 2.79 2.81 0.31 -4.79 117.12 123.36 3guy n MET 127 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3guy n MET 127 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 3guy n MET 127 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3guy n SER 128 N 0.00 0.00 0.34 7.83 2.88 -1.25 -4.51 113.62 118.90 3guy n SER 128 Ca 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.76 3guy n SER 128 Cb 0.00 0.00 1.20 0.00 -0.75 0.00 0.00 64.21 64.66 3guy n SER 128 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3guy h THR 129 N 0.46 0.04 0.00 2.46 1.35 -1.56 -0.64 112.91 115.02 3guy h THR 129 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3guy h THR 129 Cb 0.00 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3guy h THR 129 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3guy h ALA 130 N 2.00 1.00 0.00 6.62 0.00 -1.85 -1.22 119.26 125.81 3guy h ALA 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3guy h ALA 130 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3guy h ALA 130 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3guy n ALA 131 N -2.03 1.95 -0.01 0.00 0.00 -0.25 -3.97 120.51 116.21 3guy n ALA 131 Ca -0.01 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3guy n ALA 131 Cb 0.14 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 3guy n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3guy n GLN 132 N -2.13 0.53 -4.01 0.00 6.02 -0.48 -4.45 117.38 112.87 3guy n GLN 132 Ca 0.04 -0.10 -0.08 0.00 -0.01 0.00 0.00 57.00 56.85 3guy n GLN 132 Cb 0.31 -1.29 -0.10 0.00 1.02 0.00 0.00 30.24 30.18 3guy n GLN 132 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3guy s GLN 133 N -2.80 0.59 0.41 -1.09 -0.21 -1.13 -5.15 119.66 110.26 3guy s GLN 133 Ca -0.05 -0.99 -0.22 0.00 0.02 0.00 0.00 55.36 54.12 3guy s GLN 133 Cb 0.07 0.21 -0.11 0.00 1.00 0.00 0.00 33.01 34.19 3guy s GLN 133 CO 0.51 -0.13 0.96 -1.25 -2.12 0.00 0.00 175.29 173.26 3guy s PRO 134 N -3.23 4.28 -0.05 2.91 0.04 -1.26 -4.66 135.00 133.02 3guy s PRO 134 Ca 0.00 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 3guy s PRO 134 Cb 0.03 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.28 3guy s PRO 134 CO -0.07 0.01 0.01 0.15 0.04 0.00 0.00 177.00 177.13 3guy s LYS 135 N -2.92 0.40 0.26 4.56 1.02 -1.26 -5.11 119.74 116.69 3guy s LYS 135 Ca 0.60 0.13 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 3guy s LYS 135 Cb -0.12 -0.71 -0.15 0.00 -0.52 0.00 0.00 37.83 36.33 3guy s LYS 135 CO 0.16 -0.23 0.96 0.00 -0.92 0.00 0.00 175.35 175.32 3guy n ALA 136 N 4.74 -0.69 -0.87 5.17 0.00 -1.26 -1.57 120.51 126.03 3guy n ALA 136 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3guy n ALA 136 Cb 0.50 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 0.89 -1.20 -1.80 0.00 6.02 -1.26 -4.80 117.38 115.23 3guy n GLN 137 Ca 0.11 0.30 -0.09 0.00 -0.01 0.00 0.00 57.00 57.31 3guy n GLN 137 Cb 0.30 -4.56 0.07 0.00 1.02 0.00 0.00 30.24 27.07 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 -0.30 2.39 -0.14 -1.09 1.02 -0.61 -1.12 120.64 120.79 3guy n GLU 138 Ca 0.00 -3.61 -0.10 0.00 -0.02 0.00 0.00 57.16 53.43 3guy n GLU 138 Cb 0.30 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.95 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 1.87 0.63 0.94 1.62 4.64 -1.81 0.27 113.55 121.71 3guy h SER 139 Ca 0.12 -0.24 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 3guy h SER 139 Cb 1.40 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3guy h SER 139 CO 0.40 0.70 -0.48 0.71 -0.87 0.00 0.00 176.83 177.29 3guy h THR 140 N 0.52 1.02 -0.03 2.95 1.35 -1.91 -0.81 112.91 116.00 3guy h THR 140 Ca 0.13 -1.88 -0.12 0.00 -0.55 0.00 0.00 66.41 63.99 3guy h THR 140 Cb 0.32 2.12 0.01 0.00 -1.73 0.00 0.00 68.15 68.87 3guy h THR 140 CO 0.00 0.47 -0.46 0.22 -0.25 0.00 0.00 175.52 175.50 3guy h TYR 141 N 0.00 0.52 -0.38 4.73 3.20 -1.62 -2.02 116.97 121.41 3guy h TYR 141 Ca -0.00 -0.26 0.05 0.00 3.14 0.00 0.00 58.73 61.65 3guy h TYR 141 Cb 1.08 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 3guy h TYR 141 CO 0.00 1.06 0.12 0.00 -1.64 0.00 0.00 178.16 177.69 3guy h ALA 143 N 1.25 0.59 -0.03 0.00 0.00 -1.03 0.55 119.26 120.60 3guy h ALA 143 Ca 0.17 0.17 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 3guy h ALA 143 Cb 0.17 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3guy h ALA 143 CO -0.19 -0.38 -0.80 -0.39 0.00 0.00 0.00 179.25 177.49 3guy h VAL 144 N 0.14 1.43 -0.16 0.00 -1.51 -1.24 -2.10 116.25 112.81 3guy h VAL 144 Ca 0.31 -2.35 -0.18 0.00 -1.23 0.00 0.00 66.70 63.25 3guy h VAL 144 Cb 0.49 2.28 0.01 0.00 -2.13 0.00 0.00 31.29 31.93 3guy h VAL 144 CO -0.49 0.69 -0.59 0.11 -1.23 0.00 0.00 177.57 176.07 3guy h LYS 145 N 0.18 0.68 -0.99 5.19 1.79 -0.70 -2.01 116.57 120.70 3guy h LYS 145 Ca -0.04 -0.52 0.11 0.00 -2.18 0.00 0.00 60.65 58.02 3guy h LYS 145 Cb 1.39 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 32.05 3guy h LYS 145 CO 0.13 1.14 0.63 -1.49 -1.08 0.00 0.00 179.45 178.77 3guy h TRP 146 N 0.36 1.14 -0.29 -1.35 4.06 0.04 -1.72 115.95 118.19 3guy h TRP 146 Ca -0.03 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 3guy h TRP 146 Cb 1.22 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 29.00 3guy h TRP 146 CO 0.10 0.48 0.17 0.00 -3.56 0.00 0.00 178.44 175.62 3guy h ALA 147 N 1.52 0.38 -0.74 1.49 0.00 -1.11 -0.00 119.26 120.80 3guy h ALA 147 Ca 0.48 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3guy h ALA 147 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3guy h ALA 147 CO -0.25 -0.11 0.27 0.28 0.00 0.00 0.00 179.25 179.44 3guy h VAL 148 N 0.37 1.26 -0.52 0.00 2.07 -1.14 -0.35 116.25 117.93 3guy h VAL 148 Ca 0.10 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3guy h VAL 148 Cb 0.04 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3guy h VAL 148 CO -0.02 0.34 0.17 0.50 0.02 0.00 0.00 177.57 178.57 3guy h LYS 149 N 1.08 0.81 -0.42 1.57 3.64 -0.88 -0.23 116.57 122.14 3guy h LYS 149 Ca 0.24 -0.17 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3guy h LYS 149 Cb 0.26 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3guy h LYS 149 CO -0.01 0.75 0.15 0.78 -2.27 0.00 0.00 179.45 178.85 3guy h GLY 150 N 0.72 0.55 0.63 5.01 0.00 -0.48 -0.74 103.07 108.76 3guy h GLY 150 Ca 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3guy h GLY 150 CO -0.01 0.03 -0.18 -2.00 0.00 0.00 0.00 176.54 174.38 3guy h LEU 151 N 0.32 -0.52 -0.59 3.11 5.85 -0.77 -2.64 115.31 120.07 3guy h LEU 151 Ca 0.20 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 3guy h LEU 151 Cb 0.18 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3guy h LEU 151 CO -0.20 -0.25 -0.36 0.16 -0.34 0.00 0.00 178.44 177.44 3guy h ILE 152 N -0.33 1.29 0.00 4.05 -0.00 -0.79 -0.59 117.51 121.14 3guy h ILE 152 Ca 0.04 -1.52 -0.08 0.00 -0.00 0.00 0.00 64.86 63.29 3guy h ILE 152 Cb 0.37 1.44 -0.01 0.00 -0.00 0.00 0.00 36.82 38.62 3guy h ILE 152 CO -0.13 0.49 -0.40 -0.33 -0.00 0.00 0.00 178.15 177.78 3guy h GLU 153 N 0.59 0.00 -0.00 0.16 4.39 -1.17 0.41 114.58 118.96 3guy h GLU 153 Ca 0.06 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 3guy h GLU 153 Cb 0.90 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.56 3guy h GLU 153 CO 0.08 0.40 -0.58 0.77 -1.16 0.00 0.00 179.01 178.52 3guy h SER 154 N 0.00 0.51 -0.03 1.42 0.02 -1.08 -3.03 113.55 111.36 3guy h SER 154 Ca -0.00 -0.76 -0.07 0.00 -0.84 0.00 0.00 61.79 60.11 3guy h SER 154 Cb 0.73 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3guy h SER 154 CO 0.05 1.21 -0.17 0.58 -1.14 0.00 0.00 176.83 177.36 3guy h VAL 155 N -0.13 1.22 -0.85 2.27 2.07 -1.00 -2.41 116.25 117.42 3guy h VAL 155 Ca -0.07 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.51 3guy h VAL 155 Cb 1.30 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 3guy h VAL 155 CO 0.11 0.32 0.52 0.03 0.02 0.00 0.00 177.57 178.57 3guy h ARG 156 N 0.34 0.91 -0.26 1.57 3.08 -0.93 -0.75 114.38 118.34 3guy h ARG 156 Ca 0.06 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3guy h ARG 156 Cb 0.50 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3guy h ARG 156 CO 0.03 0.60 0.06 -0.07 -1.07 0.00 0.00 179.97 179.52 3guy h LEU 157 N 0.94 0.34 -0.48 3.04 3.38 -1.32 -2.56 115.31 118.63 3guy h LEU 157 Ca 0.38 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 3guy h LEU 157 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3guy h LEU 157 CO -0.19 0.35 -0.35 -0.33 0.09 0.00 0.00 178.44 178.02 3guy h GLU 158 N 0.37 0.00 -0.15 1.13 5.08 -0.90 -3.14 114.58 116.96 3guy h GLU 158 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3guy h GLU 158 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3guy h GLU 158 CO -0.00 0.35 0.00 1.28 -1.00 0.00 0.00 179.01 179.64 3guy n LEU 159 N -3.30 2.02 -4.69 1.33 4.77 -0.40 -4.93 117.00 111.79 3guy n LEU 159 Ca 0.01 -0.80 -0.44 0.00 -0.03 0.00 0.00 56.01 54.75 3guy n LEU 159 Cb 0.59 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3guy n LEU 159 CO 0.37 0.40 1.30 1.17 -1.33 0.00 0.00 177.39 179.30 3guy n LYS 160 N 0.56 2.48 -0.60 3.23 4.81 -1.13 -0.78 118.16 126.73 3guy n LYS 160 Ca 0.17 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 3guy n LYS 160 Cb 0.40 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.74 3guy n LYS 160 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3guy n GLY 161 N 3.75 1.38 3.94 3.14 0.00 -1.26 -5.04 105.19 111.10 3guy n GLY 161 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.16 3.43 0.45 1.61 1.02 0.04 -5.03 119.74 121.10 3guy s LYS 162 Ca 0.00 -0.60 0.23 0.00 0.02 0.00 0.00 55.97 55.62 3guy s LYS 162 Cb 0.00 -2.96 1.04 0.00 -0.52 0.00 0.00 37.83 35.39 3guy s LYS 162 CO 0.00 0.52 1.89 -1.00 -0.92 0.00 0.00 175.35 175.85 3guy h PRO 163 N 2.17 0.00 -6.60 -1.68 0.13 -1.81 -3.44 132.00 120.76 3guy h PRO 163 Ca -0.48 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 3guy h PRO 163 Cb 1.19 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.35 3guy h PRO 163 CO 0.69 0.23 0.71 1.41 -0.23 0.00 0.00 178.00 180.81 3guy s MET 164 N -3.87 4.33 0.05 0.86 1.75 -1.10 -4.33 119.30 116.99 3guy s MET 164 Ca -0.01 2.10 0.09 0.00 -1.25 0.00 0.00 55.69 56.62 3guy s MET 164 Cb 0.12 -3.22 -0.03 0.00 2.84 0.00 0.00 34.83 34.54 3guy s MET 164 CO 0.63 -0.39 -0.26 0.15 -0.65 0.00 0.00 175.02 174.50 3guy s LYS 165 N 0.68 1.73 -0.19 4.11 1.02 -0.79 -4.96 119.74 121.33 3guy s LYS 165 Ca 0.62 -1.12 -0.05 0.00 0.02 0.00 0.00 55.97 55.44 3guy s LYS 165 Cb -0.37 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 3guy s LYS 165 CO 0.33 0.49 0.01 0.42 -0.92 0.00 0.00 175.35 175.68 3guy s ILE 166 N -0.83 4.09 -0.12 2.17 1.01 -1.26 -0.45 121.20 125.81 3guy s ILE 166 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 3guy s ILE 166 Cb -0.10 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 3guy s ILE 166 CO 0.02 0.44 -0.08 -0.63 0.00 0.00 0.00 174.94 174.69 3guy s ILE 167 N 0.84 3.51 -0.19 2.92 1.01 0.54 -4.92 121.20 124.90 3guy s ILE 167 Ca 0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 3guy s ILE 167 Cb -0.14 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 3guy s ILE 167 CO 0.02 0.53 0.00 0.00 0.00 0.00 0.00 174.94 175.49 3guy s ALA 168 N 0.09 3.07 -0.07 9.38 0.00 -0.21 -0.34 121.76 133.68 3guy s ALA 168 Ca -0.03 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.03 3guy s ALA 168 Cb -0.14 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 3guy s ALA 168 CO 0.04 -0.08 -0.24 0.08 0.00 0.00 0.00 175.76 175.56 3guy s VAL 169 N 0.88 1.99 -0.53 0.00 1.01 -0.90 -1.44 120.40 121.40 3guy s VAL 169 Ca 0.01 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.02 3guy s VAL 169 Cb -0.14 -1.70 0.15 0.00 0.00 0.00 0.00 36.38 34.69 3guy s VAL 169 CO 0.02 0.55 0.34 -0.31 0.00 0.00 0.00 175.10 175.70 3guy s TYR 170 N 0.06 2.59 0.35 5.22 2.02 -0.19 -0.53 117.35 126.87 3guy s TYR 170 Ca -0.10 -2.85 -0.26 0.00 -0.37 0.00 0.00 57.07 53.50 3guy s TYR 170 Cb -0.15 -2.19 -0.09 0.00 -0.40 0.00 0.00 41.96 39.13 3guy s TYR 170 CO 0.06 -0.71 1.04 -2.14 -1.57 0.00 0.00 175.55 172.23 3guy s PRO 171 N -0.39 4.38 0.00 -1.71 0.02 -1.26 -1.99 135.00 134.06 3guy s PRO 171 Ca 0.22 1.54 0.04 0.00 0.02 0.00 0.00 61.00 62.82 3guy s PRO 171 Cb -0.14 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.59 3guy s PRO 171 CO -0.08 0.05 -0.12 0.20 -0.33 0.00 0.00 177.00 176.72 3guy s GLY 172 N -1.40 0.59 0.00 0.52 0.00 0.92 -1.80 107.32 106.15 3guy s GLY 172 Ca 0.52 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3guy s GLY 172 CO 0.30 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.51 3guy n GLY 173 N 2.55 0.89 3.36 0.20 0.00 -1.26 -3.62 105.19 107.31 3guy n GLY 173 Ca -0.15 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.20 4.15 0.00 1.61 1.00 -1.26 0.55 119.30 122.16 3guy s MET 174 Ca 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 55.69 52.63 3guy s MET 174 Cb 0.00 -4.65 0.00 0.00 0.00 0.00 0.00 34.83 30.18 3guy s MET 174 CO 0.00 -1.35 0.00 1.97 0.00 0.00 0.00 175.02 175.64 3guy n PHE 191 N 3.34 0.00 -1.89 -0.03 -1.74 -1.26 -4.92 117.46 110.96 3guy n PHE 191 Ca 0.26 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.73 3guy n PHE 191 Cb 0.40 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.39 3guy n PHE 191 CO 0.00 0.00 0.00 1.41 -0.56 0.00 0.00 176.76 177.61 3guy s MET 192 N -4.55 4.19 0.35 3.97 -2.45 0.19 -5.00 119.30 115.99 3guy s MET 192 Ca 0.00 2.46 -0.20 0.00 -1.25 0.00 0.00 55.69 56.70 3guy s MET 192 Cb 0.00 -3.04 -0.10 0.00 1.25 0.00 0.00 34.83 32.94 3guy s MET 192 CO 0.00 -0.51 0.85 -1.54 1.05 0.00 0.00 175.02 174.87 3guy s SER 193 N 0.24 6.97 0.38 1.11 1.04 -1.26 -4.93 113.70 117.25 3guy s SER 193 Ca 0.59 1.54 0.11 0.00 0.48 0.00 0.00 55.95 58.68 3guy s SER 193 Cb -0.45 -2.48 0.90 0.00 0.10 0.00 0.00 66.02 64.10 3guy s SER 193 CO 0.50 -0.20 1.87 0.00 0.98 0.00 0.00 173.24 176.39 3guy h ALA 194 N 2.47 1.94 -0.16 5.32 0.00 -1.93 -0.92 119.26 125.97 3guy h ALA 194 Ca -0.48 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3guy h ALA 194 Cb 1.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3guy h ALA 194 CO 0.64 -0.18 0.01 1.49 0.00 0.00 0.00 179.25 181.21 3guy h GLU 195 N 0.60 0.28 -0.19 0.00 4.81 -1.93 -1.37 114.58 116.79 3guy h GLU 195 Ca 0.44 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.52 3guy h GLU 195 Cb 0.82 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 3guy h GLU 195 CO -0.19 0.48 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.98 3guy h ASP 196 N 0.05 0.46 -0.62 1.04 3.32 -1.76 -0.41 116.42 118.49 3guy h ASP 196 Ca 0.05 -0.45 0.13 0.00 0.02 0.00 0.00 57.03 56.77 3guy h ASP 196 Cb 0.34 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 39.65 3guy h ASP 196 CO 0.01 0.81 -0.09 0.00 -1.72 0.00 0.00 179.24 178.25 3guy h ALA 197 N 0.66 0.49 -0.76 3.45 0.00 -1.27 -1.51 119.26 120.31 3guy h ALA 197 Ca 0.04 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3guy h ALA 197 Cb 0.67 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3guy h ALA 197 CO 0.04 -0.42 0.43 0.00 0.00 0.00 0.00 179.25 179.29 3guy h ALA 198 N 1.60 0.97 -0.08 0.00 0.00 -0.91 -0.04 119.26 120.81 3guy h ALA 198 Ca 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3guy h ALA 198 Cb 0.49 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3guy h ALA 198 CO -0.60 0.48 0.04 -0.07 0.00 0.00 0.00 179.25 179.11 3guy h LEU 199 N 1.05 0.07 -0.58 0.00 3.38 -0.41 -0.41 115.31 118.42 3guy h LEU 199 Ca 0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 3guy h LEU 199 Cb 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3guy h LEU 199 CO -0.04 0.05 -0.01 0.24 0.09 0.00 0.00 178.44 178.76 3guy h MET 200 N 0.09 1.03 0.48 1.13 2.86 -0.91 0.26 114.93 119.87 3guy h MET 200 Ca 0.03 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 3guy h MET 200 Cb -0.00 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3guy h MET 200 CO -0.01 1.03 -0.23 0.82 1.06 0.00 0.00 176.91 179.58 3guy h ILE 201 N 0.92 0.49 -0.99 -1.22 2.04 -0.94 0.31 117.51 118.12 3guy h ILE 201 Ca 0.16 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3guy h ILE 201 Cb 0.57 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 3guy h ILE 201 CO 0.03 0.05 0.64 -0.74 0.00 0.00 0.00 178.15 178.13 3guy h HIS 202 N -0.83 1.17 -0.05 1.37 2.76 -1.07 -1.71 115.15 116.80 3guy h HIS 202 Ca -0.07 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.02 3guy h HIS 202 Cb 0.57 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3guy h HIS 202 CO -0.01 0.58 -0.50 0.78 -1.30 0.00 0.00 177.93 177.48 3guy h GLY 203 N 1.12 0.15 1.33 5.26 0.00 -0.24 -3.32 103.07 107.37 3guy h GLY 203 Ca 0.44 -0.16 -0.28 0.00 0.00 0.00 0.00 47.33 47.33 3guy h GLY 203 CO -0.19 0.14 -1.47 0.00 0.00 0.00 0.00 176.54 175.02 3guy h ALA 204 N 1.38 0.40 -2.32 3.60 0.00 0.43 -3.45 119.26 119.31 3guy h ALA 204 Ca 0.00 -1.15 -0.55 0.00 0.00 0.00 0.00 54.91 53.22 3guy h ALA 204 Cb 0.92 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3guy h ALA 204 CO 0.07 1.26 0.96 -0.51 0.00 0.00 0.00 179.25 181.04 3guy s LEU 205 N -6.73 4.31 0.00 0.00 1.43 -0.72 -4.83 118.68 112.14 3guy s LEU 205 Ca -0.06 2.16 -0.22 0.00 -1.03 0.00 0.00 54.13 54.98 3guy s LEU 205 Cb 0.08 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.80 3guy s LEU 205 CO 0.84 -0.83 0.48 0.00 0.23 0.00 0.00 176.35 177.07 3guy s ALA 206 N 3.19 -1.23 -0.25 4.21 0.00 -1.26 -4.97 121.76 121.45 3guy s ALA 206 Ca 0.68 0.65 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3guy s ALA 206 Cb -0.32 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.06 3guy s ALA 206 CO 0.27 -0.39 -0.03 -0.80 0.00 0.00 0.00 175.76 174.81 3guy s ASN 207 N -1.60 3.96 -0.14 0.00 0.01 -1.26 -1.51 114.94 114.40 3guy s ASN 207 Ca -0.09 -1.32 0.01 0.00 -0.71 0.00 0.00 52.86 50.75 3guy s ASN 207 Cb -0.02 -1.19 0.02 0.00 0.41 0.00 0.00 41.25 40.47 3guy s ASN 207 CO 0.03 -0.27 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.56 3guy s ILE 208 N 1.37 1.66 0.00 0.60 -1.09 -0.98 -5.01 121.20 117.74 3guy s ILE 208 Ca -0.03 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 3guy s ILE 208 Cb -0.19 -1.52 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 3guy s ILE 208 CO -0.08 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 3guy n GLY 209 N 4.50 2.93 1.51 6.18 0.00 -1.26 -2.33 105.19 116.73 3guy n GLY 209 Ca -0.18 0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.19 3guy n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3guy n ASN 210 N 7.22 4.44 -3.67 1.61 5.15 -1.26 -4.94 115.26 123.81 3guy n ASN 210 Ca 0.00 -2.66 -0.10 0.00 -0.60 0.00 0.00 54.58 51.22 3guy n ASN 210 Cb 0.00 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.59 3guy n ASN 210 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3guy s GLY 211 N -0.59 0.60 0.08 8.20 0.00 -0.98 -5.18 107.32 109.45 3guy s GLY 211 Ca 0.40 -0.90 -0.22 0.00 0.00 0.00 0.00 44.72 44.00 3guy s GLY 211 CO 0.12 -0.57 0.52 -2.52 0.00 0.00 0.00 173.10 170.65 3guy s TYR 212 N -3.56 -0.42 -0.35 1.90 -0.85 -1.26 -2.32 117.35 110.50 3guy s TYR 212 Ca 0.21 0.37 -0.27 0.00 -0.52 0.00 0.00 57.07 56.86 3guy s TYR 212 Cb -0.02 0.38 0.01 0.00 0.38 0.00 0.00 41.96 42.71 3guy s TYR 212 CO 0.11 -0.69 0.98 0.08 -1.52 0.00 0.00 175.55 174.51 3guy s VAL 213 N -2.89 4.56 -0.12 -3.49 1.01 -0.57 -4.91 120.40 113.99 3guy s VAL 213 Ca -0.03 1.42 0.19 0.00 0.00 0.00 0.00 61.98 63.57 3guy s VAL 213 Cb -0.00 -4.36 -0.27 0.00 0.00 0.00 0.00 36.38 31.75 3guy s VAL 213 CO -0.05 -0.50 0.34 -1.54 0.00 0.00 0.00 175.10 173.34 3guy n SER 214 N 6.80 0.12 -3.69 3.32 3.41 -1.26 -4.73 113.62 117.59 3guy n SER 214 Ca 0.09 0.05 -0.11 0.00 -0.26 0.00 0.00 58.87 58.64 3guy n SER 214 Cb 0.48 1.28 -0.10 0.00 -0.26 0.00 0.00 64.21 65.61 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 -5.14 -0.55 -0.00 4.04 1.01 -1.26 -1.04 116.67 113.72 3guy s ASP 215 Ca -0.08 0.96 0.00 0.00 0.71 0.00 0.00 52.55 54.14 3guy s ASP 215 Cb 0.10 0.86 0.00 0.00 1.01 0.00 0.00 42.92 44.89 3guy s ASP 215 CO 0.86 -0.19 -0.00 -0.51 0.21 0.00 0.00 175.17 175.54 3guy s ILE 216 N 1.21 0.04 -0.07 0.77 2.07 -0.52 -4.99 121.20 119.71 3guy s ILE 216 Ca -0.08 0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.22 3guy s ILE 216 Cb -0.07 -0.06 -0.01 0.00 0.13 0.00 0.00 42.46 42.45 3guy s ILE 216 CO -0.11 0.03 -0.23 -0.89 -1.91 0.00 0.00 174.94 171.83 3guy s THR 217 N 0.14 2.23 -0.09 4.00 2.01 -1.26 -1.03 115.64 121.65 3guy s THR 217 Ca -0.01 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.02 3guy s THR 217 Cb -0.02 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.66 3guy s THR 217 CO -0.00 0.57 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.62 3guy s VAL 218 N -0.11 1.66 0.27 3.82 1.01 -0.84 -4.97 120.40 121.24 3guy s VAL 218 Ca -0.05 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3guy s VAL 218 Cb -0.14 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 3guy s VAL 218 CO 0.04 0.47 0.02 0.20 0.00 0.00 0.00 175.10 175.83 3guy s ASN 219 N 0.52 2.08 0.00 3.32 -0.87 -1.26 -0.06 114.94 118.67 3guy s ASN 219 Ca -0.16 -1.28 0.23 0.00 -1.57 0.00 0.00 52.86 50.07 3guy s ASN 219 Cb -0.17 -0.03 1.36 0.00 -0.02 0.00 0.00 41.25 42.39 3guy s ASN 219 CO 0.06 -0.54 1.73 -1.14 -2.57 0.00 0.00 177.10 174.64