#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2win n SER 3 N 0.00 0.00 -3.85 3.42 3.41 -1.26 -5.16 113.62 110.18 2win n SER 3 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2win n SER 3 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2win n SER 3 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2win s LEU 4 N -1.00 0.55 0.00 1.04 1.43 -1.26 -5.18 118.68 114.26 2win s LEU 4 Ca 0.00 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 2win s LEU 4 Cb 0.00 1.65 0.07 0.00 0.03 0.00 0.00 46.19 47.94 2win s LEU 4 CO 0.00 -0.96 0.27 -2.65 0.23 0.00 0.00 176.35 173.24 2win n PRO 5 N -0.27 -1.53 0.00 1.29 -0.02 -1.26 -5.11 135.00 128.10 2win n PRO 5 Ca -0.09 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 2win n PRO 5 Cb 0.63 -0.40 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 2win n PRO 5 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2win n THR 6 N -3.08 0.00 0.00 3.45 -2.24 -1.26 -5.00 114.28 106.15 2win n THR 6 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2win n THR 6 Cb 0.14 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2win n THR 6 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2win n SER 7 N 0.00 0.00 -0.20 3.42 3.41 -1.26 -2.70 113.62 116.29 2win n SER 7 Ca 0.00 0.77 0.06 0.00 -0.26 0.00 0.00 58.87 59.43 2win n SER 7 Cb 0.00 -0.27 0.26 0.00 -0.26 0.00 0.00 64.21 63.95 2win n SER 7 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2win n ASN 8 N -1.58 0.59 0.10 4.04 3.02 -1.26 -3.96 115.26 116.20 2win n ASN 8 Ca 0.00 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 2win n ASN 8 Cb 0.00 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 2win n ASN 8 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2win h GLU 9 N 0.70 0.00 0.00 3.52 4.57 -1.90 -3.31 114.58 118.16 2win h GLU 9 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2win h GLU 9 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2win h GLU 9 CO 0.00 0.54 -0.26 0.98 -1.18 0.00 0.00 179.01 179.10 2win n TYR 10 N -3.18 0.12 -0.22 0.92 9.36 -1.22 -4.07 117.16 118.87 2win n TYR 10 Ca -0.01 0.05 0.21 0.00 3.32 0.00 0.00 57.90 61.47 2win n TYR 10 Cb 0.80 -0.26 0.56 0.00 -0.63 0.00 0.00 39.34 39.80 2win n TYR 10 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 2win h GLN 11 N -0.32 0.31 0.00 2.98 7.50 -1.79 0.29 115.11 124.08 2win h GLN 11 Ca 0.00 -0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.06 2win h GLN 11 Cb 0.26 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.71 2win h GLN 11 CO 0.00 0.20 -0.34 -0.97 -1.50 0.00 0.00 178.83 176.22 2win h ASN 12 N 0.32 0.00 0.16 1.46 -0.73 -1.80 -2.66 115.58 112.32 2win h ASN 12 Ca 0.45 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 58.28 2win h ASN 12 Cb 1.24 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.83 2win h ASN 12 CO -0.14 0.34 -1.72 -0.08 -0.37 0.00 0.00 177.43 175.46 2win h GLU 13 N 0.00 0.33 -0.21 6.67 4.81 -0.67 -3.24 114.58 122.26 2win h GLU 13 Ca -0.00 -0.56 0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2win h GLU 13 Cb 0.99 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2win h GLU 13 CO 0.04 1.27 0.07 -0.22 -0.73 0.00 0.00 179.01 179.44 2win h LYS 14 N -0.02 0.16 -0.53 1.92 3.64 -0.97 -1.27 116.57 119.50 2win h LYS 14 Ca -0.35 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.03 2win h LYS 14 Cb 1.99 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.75 2win h LYS 14 CO 0.13 0.11 0.35 1.25 -2.27 0.00 0.00 179.45 179.02 2win h LEU 15 N 0.16 0.60 -0.44 5.20 5.85 -1.64 -0.73 115.31 124.31 2win h LEU 15 Ca 0.09 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2win h LEU 15 Cb 0.06 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2win h LEU 15 CO -0.10 0.43 0.09 0.00 -0.34 0.00 0.00 178.44 178.52 2win h ALA 16 N 1.67 0.58 -0.35 1.25 0.00 -1.40 -1.18 119.26 119.83 2win h ALA 16 Ca 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2win h ALA 16 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2win h ALA 16 CO -0.04 0.28 0.01 -0.91 0.00 0.00 0.00 179.25 178.59 2win h ASN 17 N 0.58 0.59 -0.45 0.00 2.35 -0.59 -1.14 115.58 116.92 2win h ASN 17 Ca 0.14 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2win h ASN 17 Cb 0.35 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2win h ASN 17 CO 0.00 0.74 0.18 -0.33 -1.65 0.00 0.00 177.43 176.38 2win h GLU 18 N 0.42 0.72 -0.07 0.81 5.08 -1.09 -0.69 114.58 119.77 2win h GLU 18 Ca 0.10 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2win h GLU 18 Cb 0.43 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2win h GLU 18 CO 0.02 0.61 -0.62 1.25 -1.00 0.00 0.00 179.01 179.26 2win h LEU 19 N 0.71 0.29 -0.40 1.33 5.85 -1.05 -3.17 115.31 118.88 2win h LEU 19 Ca 0.17 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 2win h LEU 19 Cb 0.17 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2win h LEU 19 CO -0.01 0.84 -0.61 0.50 -0.34 0.00 0.00 178.44 178.81 2win h LYS 20 N 0.19 0.63 -0.93 1.25 1.63 -0.51 -2.59 116.57 116.24 2win h LYS 20 Ca -0.01 -0.43 0.07 0.00 -0.85 0.00 0.00 60.65 59.43 2win h LYS 20 Cb 1.14 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.77 2win h LYS 20 CO 0.10 1.05 0.61 0.77 -3.45 0.00 0.00 179.45 178.52 2win h SER 21 N 0.47 0.94 0.30 4.20 0.02 -1.12 -0.83 113.55 117.53 2win h SER 21 Ca -0.01 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 2win h SER 21 Cb 1.19 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2win h SER 21 CO 0.12 0.60 -0.88 -0.07 -1.14 0.00 0.00 176.83 175.46 2win h LEU 22 N 1.07 0.53 -1.29 5.07 3.38 -1.55 -3.23 115.31 119.28 2win h LEU 22 Ca 0.40 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2win h LEU 22 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2win h LEU 22 CO -0.15 1.18 -0.34 -0.07 0.09 0.00 0.00 178.44 179.15 2win h LEU 23 N 0.25 0.00 -0.24 1.67 3.38 -0.92 -2.79 115.31 116.65 2win h LEU 23 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2win h LEU 23 Cb 1.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2win h LEU 23 CO 0.15 0.34 0.07 0.44 0.09 0.00 0.00 178.44 179.53 2win h ASP 24 N 0.00 0.36 -0.53 -0.43 3.32 -1.20 -2.73 116.42 115.21 2win h ASP 24 Ca -0.00 -0.22 -0.21 0.00 0.02 0.00 0.00 57.03 56.62 2win h ASP 24 Cb 0.65 -0.10 -0.13 0.00 0.22 0.00 0.00 39.33 39.98 2win h ASP 24 CO 0.04 0.48 0.27 -1.84 -1.72 0.00 0.00 179.24 176.48 2win n GLU 25 N -4.74 2.30 -0.01 3.56 0.28 -1.14 -4.33 120.64 116.56 2win n GLU 25 Ca -0.03 -1.87 -0.13 0.00 -0.16 0.00 0.00 57.16 54.97 2win n GLU 25 Cb 0.17 -1.80 -0.10 0.00 1.43 0.00 0.00 31.44 31.13 2win n GLU 25 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2win h LEU 26 N 1.48 -0.01 -1.99 -1.84 5.85 -1.21 -2.63 115.31 114.95 2win h LEU 26 Ca 0.26 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2win h LEU 26 Cb 1.90 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 2win h LEU 26 CO 0.55 0.49 0.17 -1.13 -0.34 0.00 0.00 178.44 178.18 2win h ASN 27 N -0.52 0.01 0.08 1.25 -1.24 -1.79 0.24 115.58 113.61 2win h ASN 27 Ca -0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 2win h ASN 27 Cb 0.51 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.55 2win h ASN 27 CO 0.00 0.01 -0.04 0.58 -1.29 0.00 0.00 177.43 176.69 2win h VAL 28 N 0.02 1.06 -0.18 2.57 2.07 -1.81 -1.74 116.25 118.24 2win h VAL 28 Ca 0.11 -0.51 -0.20 0.00 0.82 0.00 0.00 66.70 66.92 2win h VAL 28 Cb 0.42 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2win h VAL 28 CO -0.00 0.12 -0.70 0.78 0.02 0.00 0.00 177.57 177.79 2win h ASN 29 N -0.34 0.86 -0.73 0.57 2.35 -1.04 -2.75 115.58 114.50 2win h ASN 29 Ca -0.01 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.19 2win h ASN 29 Cb 0.29 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 2win h ASN 29 CO 0.02 1.32 0.40 -0.08 -1.65 0.00 0.00 177.43 177.44 2win h GLU 30 N 0.53 1.03 0.00 0.81 4.81 -0.58 -1.43 114.58 119.75 2win h GLU 30 Ca -0.03 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2win h GLU 30 Cb 1.31 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2win h GLU 30 CO 0.14 0.76 -0.03 1.25 -0.73 0.00 0.00 179.01 180.40 2win h LEU 31 N 1.04 0.00 -0.03 1.64 5.85 -1.33 -3.16 115.31 119.31 2win h LEU 31 Ca 0.26 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2win h LEU 31 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2win h LEU 31 CO -0.04 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.06 2win n ALA 32 N -1.80 2.25 1.37 1.25 0.00 -0.55 -2.91 120.51 120.12 2win n ALA 32 Ca 0.05 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2win n ALA 32 Cb 0.44 -1.46 0.46 0.00 0.00 0.00 0.00 19.45 18.89 2win n ALA 32 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2win n THR 33 N -1.83 0.08 0.26 0.00 -2.24 -1.17 -4.07 114.28 105.31 2win n THR 33 Ca 0.06 -0.30 0.10 0.00 -2.27 0.00 0.00 64.05 61.64 2win n THR 33 Cb 0.36 0.50 0.70 0.00 -2.10 0.00 0.00 70.33 69.79 2win n THR 33 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2win h GLY 34 N 4.89 0.00 0.00 3.38 0.00 -1.72 -2.47 103.07 107.16 2win h GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2win h GLY 34 CO 0.00 0.00 -1.67 -1.14 0.00 0.00 0.00 176.54 173.73 2win n SER 35 N -4.21 0.79 -3.11 0.19 3.41 -1.26 -4.99 113.62 104.45 2win n SER 35 Ca -0.03 -0.16 -0.17 0.00 -0.26 0.00 0.00 58.87 58.25 2win n SER 35 Cb 0.14 1.70 0.12 0.00 -0.26 0.00 0.00 64.21 65.90 2win n SER 35 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2win n LEU 36 N -2.02 0.00 -4.69 1.04 4.77 -0.93 -5.07 117.00 110.11 2win n LEU 36 Ca -0.02 -0.84 -0.30 0.00 -0.03 0.00 0.00 56.01 54.83 2win n LEU 36 Cb 0.45 -0.59 0.21 0.00 -2.33 0.00 0.00 43.42 41.15 2win n LEU 36 CO 0.38 -1.12 0.68 0.20 -1.33 0.00 0.00 177.39 176.20 2win s ASN 37 N -3.79 1.86 0.35 -1.43 -0.87 -1.26 -4.95 114.94 104.85 2win s ASN 37 Ca 0.44 0.70 0.17 0.00 -1.57 0.00 0.00 52.86 52.60 2win s ASN 37 Cb -0.01 -1.02 0.60 0.00 -0.02 0.00 0.00 41.25 40.80 2win s ASN 37 CO 0.31 -3.55 1.70 0.71 -2.57 0.00 0.00 177.10 173.70 2win h THR 38 N -2.19 0.96 0.07 1.60 1.35 -1.97 -3.18 112.91 109.55 2win h THR 38 Ca -0.47 -1.64 0.01 0.00 -0.55 0.00 0.00 66.41 63.76 2win h THR 38 Cb 1.30 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 69.68 2win h THR 38 CO 0.42 0.41 -0.15 0.22 -0.25 0.00 0.00 175.52 176.17 2win h TYR 39 N 0.00 -0.39 -0.65 4.73 3.20 -1.98 0.13 116.97 122.01 2win h TYR 39 Ca -0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2win h TYR 39 Cb 0.95 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.36 2win h TYR 39 CO 0.00 -0.23 0.20 1.88 -1.64 0.00 0.00 178.16 178.38 2win h TYR 40 N -0.29 1.01 -0.02 -3.82 0.05 -1.94 0.25 116.97 112.21 2win h TYR 40 Ca 0.03 -0.09 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 2win h TYR 40 Cb 0.32 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2win h TYR 40 CO -0.17 0.80 -0.42 -0.22 -1.05 0.00 0.00 178.16 177.11 2win h LYS 41 N 0.95 0.03 0.14 4.88 3.64 -1.46 -2.16 116.57 122.59 2win h LYS 41 Ca 0.21 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.29 2win h LYS 41 Cb 0.27 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2win h LYS 41 CO -0.01 0.45 -1.33 -0.09 -2.27 0.00 0.00 179.45 176.20 2win h ARG 42 N 0.03 0.30 -0.01 1.90 2.43 -0.16 -3.19 114.38 115.68 2win h ARG 42 Ca -0.00 -0.51 -0.21 0.00 -0.81 0.00 0.00 59.98 58.45 2win h ARG 42 Cb 0.75 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2win h ARG 42 CO 0.06 1.22 -0.88 1.15 -1.51 0.00 0.00 179.97 180.01 2win h THR 43 N 0.08 1.43 0.03 0.20 2.02 -0.88 -3.20 112.91 112.59 2win h THR 43 Ca -0.17 -2.46 -0.23 0.00 0.77 0.00 0.00 66.41 64.32 2win h THR 43 Cb 2.00 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 70.78 2win h THR 43 CO 0.20 0.73 -1.10 -0.29 0.37 0.00 0.00 175.52 175.43 2win h ILE 44 N 0.19 1.62 0.00 3.11 2.10 -1.53 -1.36 117.51 121.64 2win h ILE 44 Ca -0.06 -3.31 -0.05 0.00 1.08 0.00 0.00 64.86 62.52 2win h ILE 44 Cb 1.50 2.84 -0.01 0.00 -1.09 0.00 0.00 36.82 40.07 2win h ILE 44 CO 0.14 0.93 -0.26 0.11 -1.08 0.00 0.00 178.15 178.00 2win h LYS 45 N 0.02 0.00 0.05 2.19 1.57 -1.64 -0.50 116.57 118.26 2win h LYS 45 Ca -0.05 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.49 2win h LYS 45 Cb 1.83 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.12 2win h LYS 45 CO 0.14 0.26 -1.25 0.82 -0.57 0.00 0.00 179.45 178.85 2win h ILE 46 N 0.00 1.02 0.00 1.86 2.04 -1.55 -3.34 117.51 117.54 2win h ILE 46 Ca -0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 2win h ILE 46 Cb 0.82 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2win h ILE 46 CO 0.03 0.55 0.00 -0.24 0.00 0.00 0.00 178.15 178.49 2win n SER 47 N -4.17 0.07 -0.01 1.72 2.88 -0.52 -3.10 113.62 110.50 2win n SER 47 Ca -0.27 0.52 -0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2win n SER 47 Cb 0.77 -0.53 -0.10 0.00 -0.75 0.00 0.00 64.21 63.60 2win n SER 47 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2win h GLY 48 N 2.31 -0.07 0.99 0.46 0.00 -1.20 -3.24 103.07 102.31 2win h GLY 48 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2win h GLY 48 CO 0.00 -0.02 0.26 1.46 0.00 0.00 0.00 176.54 178.23 2win h GLN 49 N -0.74 0.82 -0.61 4.80 4.20 -1.68 -2.63 115.11 119.27 2win h GLN 49 Ca -0.01 -0.13 0.17 0.00 0.06 0.00 0.00 58.65 58.75 2win h GLN 49 Cb 0.63 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2win h GLN 49 CO 0.01 0.68 0.44 -0.22 -0.67 0.00 0.00 178.83 179.07 2win h LYS 50 N 0.76 0.02 0.09 1.46 3.64 -1.66 0.18 116.57 121.07 2win h LYS 50 Ca 0.19 -0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.30 2win h LYS 50 Cb 0.14 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2win h LYS 50 CO -0.02 0.01 -1.29 0.00 -2.27 0.00 0.00 179.45 175.88 2win h ALA 51 N 1.70 0.24 0.02 5.00 0.00 -1.50 -3.00 119.26 121.71 2win h ALA 51 Ca 0.29 -0.99 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 2win h ALA 51 Cb 1.13 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2win h ALA 51 CO -0.01 1.12 -0.01 0.52 0.00 0.00 0.00 179.25 180.87 2win h MET 52 N 0.05 -0.03 -0.40 0.00 2.86 -0.69 -2.53 114.93 114.20 2win h MET 52 Ca -0.14 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2win h MET 52 Cb 1.94 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.59 2win h MET 52 CO 0.17 0.64 0.26 -0.92 1.06 0.00 0.00 176.91 178.12 2win h TYR 53 N -0.73 0.46 -0.06 -0.22 3.20 -0.91 -1.44 116.97 117.27 2win h TYR 53 Ca -0.00 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 2win h TYR 53 Cb 0.68 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2win h TYR 53 CO 0.16 0.28 -0.60 0.00 -1.64 0.00 0.00 178.16 176.36 2win h ALA 54 N 1.76 0.87 0.15 1.82 0.00 -1.56 -2.93 119.26 119.37 2win h ALA 54 Ca 0.15 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2win h ALA 54 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2win h ALA 54 CO -0.03 0.73 -0.07 1.25 0.00 0.00 0.00 179.25 181.13 2win h LEU 55 N 0.15 -0.17 -1.23 0.00 5.85 -0.81 -2.81 115.31 116.29 2win h LEU 55 Ca -0.01 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 2win h LEU 55 Cb 1.10 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2win h LEU 55 CO 0.09 0.19 -0.12 0.07 -0.34 0.00 0.00 178.44 178.33 2win h LYS 56 N -0.54 0.38 0.00 1.25 2.10 -1.56 -1.84 116.57 116.36 2win h LYS 56 Ca -0.02 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2win h LYS 56 Cb 0.42 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2win h LYS 56 CO 0.03 0.51 0.00 0.66 -2.00 0.00 0.00 179.45 178.65 2win h SER 57 N 0.36 0.00 -2.41 7.07 4.64 -1.50 -3.46 113.55 118.24 2win h SER 57 Ca 0.07 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.09 2win h SER 57 Cb 0.44 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.46 2win h SER 57 CO 0.02 0.00 -0.32 0.29 -0.87 0.00 0.00 176.83 175.95 2win n LYS 58 N -2.93 -1.69 -2.87 4.77 4.76 -0.69 -4.91 118.16 114.59 2win n LYS 58 Ca 0.01 0.79 -0.42 0.00 -2.87 0.00 0.00 58.31 55.82 2win n LYS 58 Cb 0.29 -5.23 -0.04 0.00 -1.84 0.00 0.00 35.03 28.21 2win n LYS 58 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2win s ASP 59 N -2.14 6.76 0.29 4.39 2.15 -1.24 -4.94 116.67 121.94 2win s ASP 59 Ca 0.00 0.82 0.04 0.00 0.43 0.00 0.00 52.55 53.84 2win s ASP 59 Cb 0.00 -2.44 0.69 0.00 -0.30 0.00 0.00 42.92 40.87 2win s ASP 59 CO 0.00 -0.64 1.74 0.15 -0.17 0.00 0.00 175.17 176.25 2win h PHE 60 N 8.00 0.85 0.44 -5.34 3.57 -1.91 -0.63 116.94 121.93 2win h PHE 60 Ca -0.23 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 2win h PHE 60 Cb 1.09 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2win h PHE 60 CO 0.78 0.12 -0.21 -0.22 -2.23 0.00 0.00 178.31 176.55 2win h LYS 61 N 0.60 -0.57 -0.35 1.11 3.64 -1.98 -2.40 116.57 116.61 2win h LYS 61 Ca 0.55 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.90 2win h LYS 61 Cb 0.91 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2win h LYS 61 CO -0.43 -0.28 -0.04 0.87 -2.27 0.00 0.00 179.45 177.30 2win h LYS 62 N -0.84 0.56 -0.17 1.90 1.57 -1.82 0.87 116.57 118.64 2win h LYS 62 Ca -0.06 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2win h LYS 62 Cb 0.56 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2win h LYS 62 CO 0.10 0.62 0.06 0.52 -0.57 0.00 0.00 179.45 180.18 2win h MET 63 N 0.53 0.26 -0.21 3.15 2.86 -1.13 -0.29 114.93 120.10 2win h MET 63 Ca 0.11 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2win h MET 63 Cb 0.41 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2win h MET 63 CO 0.02 0.37 0.02 1.03 1.06 0.00 0.00 176.91 179.41 2win h SER 64 N 0.10 0.36 -0.60 1.22 0.87 -1.23 0.19 113.55 114.47 2win h SER 64 Ca 0.06 -0.29 0.13 0.00 -1.23 0.00 0.00 61.79 60.46 2win h SER 64 Cb 0.22 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2win h SER 64 CO -0.00 0.56 0.41 -0.08 -0.53 0.00 0.00 176.83 177.18 2win h GLU 65 N 0.15 0.26 0.00 2.24 4.57 -0.73 -1.43 114.58 119.64 2win h GLU 65 Ca 0.06 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 2win h GLU 65 Cb 0.36 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2win h GLU 65 CO 0.01 0.17 -1.41 0.00 -1.18 0.00 0.00 179.01 176.60 2win n ALA 66 N -2.56 2.30 -0.02 2.92 0.00 -0.13 -3.18 120.51 119.84 2win n ALA 66 Ca 0.11 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 2win n ALA 66 Cb 0.48 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 2win n ALA 66 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2win h LYS 67 N 0.00 0.18 0.00 0.00 3.64 0.50 0.96 116.57 121.86 2win h LYS 67 Ca -0.09 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 2win h LYS 67 Cb 1.28 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 2win h LYS 67 CO 0.02 0.27 -0.86 1.88 -2.27 0.00 0.00 179.45 178.49 2win h TYR 68 N 0.05 0.00 -0.87 1.91 0.05 -1.68 0.78 116.97 117.21 2win h TYR 68 Ca 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2win h TYR 68 Cb 0.15 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 2win h TYR 68 CO -0.02 0.86 0.52 1.96 -1.05 0.00 0.00 178.16 180.42 2win h GLN 69 N 0.00 1.19 0.00 4.88 1.08 -1.48 0.16 115.11 120.93 2win h GLN 69 Ca -0.01 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 56.91 2win h GLN 69 Cb 1.55 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 28.71 2win h GLN 69 CO 0.11 0.83 -1.23 1.25 -0.95 0.00 0.00 178.83 178.84 2win h LEU 70 N 1.20 0.00 -0.15 1.46 5.85 -0.71 -3.29 115.31 119.67 2win h LEU 70 Ca 0.31 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.80 2win h LEU 70 Cb -0.04 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.00 2win h LEU 70 CO -0.06 0.62 -0.93 -0.61 -0.34 0.00 0.00 178.44 177.13 2win h GLN 71 N 0.00 0.54 0.24 1.25 5.75 -0.65 -2.98 115.11 119.26 2win h GLN 71 Ca -0.13 -0.54 -0.01 0.00 -0.15 0.00 0.00 58.65 57.81 2win h GLN 71 Cb 1.59 0.15 0.00 0.00 1.07 0.00 0.00 27.48 30.29 2win h GLN 71 CO 0.06 1.17 -0.12 -0.22 -2.65 0.00 0.00 178.83 177.07 2win h LYS 72 N 0.32 -0.31 -0.76 1.69 3.64 -1.09 -2.37 116.57 117.69 2win h LYS 72 Ca -0.08 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2win h LYS 72 Cb 1.56 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.40 2win h LYS 72 CO 0.17 -0.13 0.50 0.97 -2.27 0.00 0.00 179.45 178.68 2win h ILE 73 N -0.43 1.06 0.03 2.00 6.09 -1.65 -0.72 117.51 123.89 2win h ILE 73 Ca -0.03 -0.29 -0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2win h ILE 73 Cb 0.32 0.14 0.00 0.00 0.47 0.00 0.00 36.82 37.76 2win h ILE 73 CO 0.05 0.15 -0.01 1.88 -3.07 0.00 0.00 178.15 177.15 2win h TYR 74 N 0.84 -0.04 -0.67 2.19 0.05 -1.35 -1.44 116.97 116.55 2win h TYR 74 Ca 0.32 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.07 2win h TYR 74 Cb 0.18 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 2win h TYR 74 CO -0.00 -0.02 0.31 -0.91 -1.05 0.00 0.00 178.16 176.48 2win h ASN 75 N -0.04 0.87 0.40 3.88 2.35 -0.84 -0.45 115.58 121.75 2win h ASN 75 Ca -0.00 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 2win h ASN 75 Cb 0.03 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2win h ASN 75 CO 0.01 0.75 -0.24 -0.33 -1.65 0.00 0.00 177.43 175.96 2win h GLU 76 N 0.95 0.00 0.17 0.81 5.08 -0.91 -1.98 114.58 118.70 2win h GLU 76 Ca 0.23 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.28 2win h GLU 76 Cb 0.12 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.40 2win h GLU 76 CO -0.03 0.24 -1.34 0.82 -1.00 0.00 0.00 179.01 177.71 2win h ILE 77 N 0.00 1.28 -0.74 3.13 2.04 -0.38 -2.55 117.51 120.29 2win h ILE 77 Ca -0.00 -2.55 0.04 0.00 1.00 0.00 0.00 64.86 63.34 2win h ILE 77 Cb 0.51 2.82 -0.05 0.00 -0.74 0.00 0.00 36.82 39.36 2win h ILE 77 CO 0.03 0.77 0.45 0.44 0.00 0.00 0.00 178.15 179.85 2win h ASP 78 N 0.23 0.73 0.60 1.72 3.32 -0.72 -1.73 116.42 120.57 2win h ASP 78 Ca -0.21 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.70 2win h ASP 78 Cb 2.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.40 2win h ASP 78 CO 0.25 0.50 -0.66 -0.33 -1.72 0.00 0.00 179.24 177.27 2win h GLU 79 N 0.87 0.06 0.00 3.56 4.39 -1.46 -2.95 114.58 119.05 2win h GLU 79 Ca 0.31 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2win h GLU 79 Cb 0.07 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2win h GLU 79 CO -0.13 0.70 0.00 0.00 -1.16 0.00 0.00 179.01 178.42 2win n ALA 80 N -2.43 1.62 -0.03 3.43 0.00 -0.70 -2.68 120.51 119.72 2win n ALA 80 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 2win n ALA 80 Cb 0.66 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 2win n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2win n LEU 81 N -2.16 0.30 0.19 0.00 4.77 -0.89 -4.25 117.00 114.95 2win n LEU 81 Ca 0.02 0.13 0.14 0.00 -0.03 0.00 0.00 56.01 56.27 2win n LEU 81 Cb 0.21 0.22 0.49 0.00 -2.33 0.00 0.00 43.42 42.01 2win n LEU 81 CO 0.18 0.25 0.90 0.11 -1.33 0.00 0.00 177.39 177.50 2win h LYS 82 N 0.00 0.00 -0.00 3.23 1.57 -1.46 -0.77 116.57 119.14 2win h LYS 82 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2win h LYS 82 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.01 2win h LYS 82 CO 0.03 0.00 -0.16 -1.13 -0.57 0.00 0.00 179.45 177.62 2win n SER 83 N -2.65 0.18 -0.45 0.86 3.41 -1.24 -3.18 113.62 110.55 2win n SER 83 Ca 0.03 0.19 0.06 0.00 -0.26 0.00 0.00 58.87 58.88 2win n SER 83 Cb 0.34 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2win n SER 83 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2win n LYS 84 N -1.46 0.77 -0.98 4.33 3.00 -0.39 -5.17 118.16 118.26 2win n LYS 84 Ca 0.07 -1.14 0.00 0.00 -0.00 0.00 0.00 58.31 57.24 2win n LYS 84 Cb 0.33 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.15 2win n LYS 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06