#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c4i s ASN 2 N 0.00 4.75 0.34 6.12 2.20 -1.26 -4.91 114.94 122.17 3c4i s ASN 2 Ca 0.00 -0.03 0.03 0.00 -0.94 0.00 0.00 52.86 51.92 3c4i s ASN 2 Cb 0.00 -0.58 0.61 0.00 -2.00 0.00 0.00 41.25 39.27 3c4i s ASN 2 CO 0.00 -1.57 1.91 0.50 -2.94 0.00 0.00 177.10 175.00 3c4i h LYS 3 N -0.36 0.63 -0.32 3.55 3.64 -2.05 -1.13 116.57 120.53 3c4i h LYS 3 Ca -0.41 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 58.75 3c4i h LYS 3 Cb 1.29 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3c4i h LYS 3 CO 0.49 0.56 -0.31 0.00 -2.27 0.00 0.00 179.45 177.92 3c4i h ALA 4 N 1.52 0.87 -0.29 5.00 0.00 -1.99 -0.97 119.26 123.40 3c4i h ALA 4 Ca 0.15 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3c4i h ALA 4 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3c4i h ALA 4 CO -0.01 0.63 -0.46 1.49 0.00 0.00 0.00 179.25 180.90 3c4i h GLU 5 N 0.57 0.77 -0.20 0.00 4.81 -1.80 -0.09 114.58 118.64 3c4i h GLU 5 Ca 0.07 -0.44 0.03 0.00 -0.13 0.00 0.00 59.36 58.89 3c4i h GLU 5 Cb 0.81 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 3c4i h GLU 5 CO 0.07 1.07 0.04 1.25 -0.73 0.00 0.00 179.01 180.70 3c4i h LEU 6 N 0.62 0.01 -0.63 1.64 5.85 -0.97 -1.53 115.31 120.29 3c4i h LEU 6 Ca 0.04 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3c4i h LEU 6 Cb 1.03 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 3c4i h LEU 6 CO 0.10 0.04 0.34 0.40 -0.34 0.00 0.00 178.44 178.97 3c4i h ILE 7 N 0.12 0.95 -0.18 4.05 2.04 -0.97 -0.35 117.51 123.17 3c4i h ILE 7 Ca 0.09 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3c4i h ILE 7 Cb 0.09 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3c4i h ILE 7 CO -0.12 0.11 0.03 0.44 0.00 0.00 0.00 178.15 178.61 3c4i h ASP 8 N 0.62 0.00 -0.74 1.72 3.32 -0.73 0.89 116.42 121.51 3c4i h ASP 8 Ca 0.28 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 3c4i h ASP 8 Cb 0.19 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3c4i h ASP 8 CO -0.19 0.03 0.41 0.58 -1.72 0.00 0.00 179.24 178.35 3c4i h VAL 9 N 0.10 1.22 -0.31 -1.35 2.07 -1.09 -2.34 116.25 114.56 3c4i h VAL 9 Ca 0.08 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3c4i h VAL 9 Cb 0.08 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3c4i h VAL 9 CO -0.11 0.25 -0.13 0.25 0.02 0.00 0.00 177.57 177.84 3c4i h LEU 10 N 1.02 0.65 -0.63 2.57 5.85 -0.74 -1.25 115.31 122.78 3c4i h LEU 10 Ca 0.26 -0.40 0.13 0.00 0.84 0.00 0.00 57.88 58.71 3c4i h LEU 10 Cb 0.03 -0.18 -0.12 0.00 0.37 0.00 0.00 40.66 40.76 3c4i h LEU 10 CO -0.04 0.91 -0.11 0.74 -0.34 0.00 0.00 178.44 179.59 3c4i h THR 11 N 0.40 0.40 -0.37 1.05 2.02 -0.74 0.20 112.91 115.87 3c4i h THR 11 Ca 0.07 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3c4i h THR 11 Cb 0.65 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3c4i h THR 11 CO 0.04 0.01 0.12 1.56 0.37 0.00 0.00 175.52 177.62 3c4i h GLN 12 N 0.03 0.56 -0.34 6.66 1.08 -1.10 -0.71 115.11 121.29 3c4i h GLN 12 Ca 0.31 -0.12 -0.13 0.00 -1.45 0.00 0.00 58.65 57.26 3c4i h GLN 12 Cb 0.49 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3c4i h GLN 12 CO -0.62 0.57 -0.31 0.87 -0.95 0.00 0.00 178.83 178.40 3c4i h LYS 13 N 0.44 0.74 0.00 1.46 1.57 -0.41 -2.95 116.57 117.43 3c4i h LYS 13 Ca 0.12 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3c4i h LYS 13 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3c4i h LYS 13 CO -0.01 0.95 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.64 3c4i h LEU 14 N 0.63 0.00 -1.01 2.94 3.38 -0.62 -3.47 115.31 117.15 3c4i h LEU 14 Ca 0.07 -0.02 -0.40 0.00 0.09 0.00 0.00 57.88 57.63 3c4i h LEU 14 Cb 0.83 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.71 3c4i h LEU 14 CO 0.07 0.01 -0.71 0.61 0.09 0.00 0.00 178.44 178.52 3c4i n GLY 15 N 1.22 -0.51 3.73 0.83 0.00 -0.30 -5.01 105.19 105.15 3c4i n GLY 15 Ca 0.04 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 3c4i n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3c4i n SER 16 N -3.02 2.58 -4.82 1.61 3.41 -1.04 -5.07 113.62 107.27 3c4i n SER 16 Ca -0.04 -2.77 -0.32 0.00 -0.26 0.00 0.00 58.87 55.48 3c4i n SER 16 Cb 0.58 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 3c4i n SER 16 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3c4i s ASP 17 N -4.22 5.76 0.35 4.04 1.01 -1.26 -4.85 116.67 117.50 3c4i s ASP 17 Ca 0.36 1.68 0.03 0.00 0.71 0.00 0.00 52.55 55.33 3c4i s ASP 17 Cb -0.03 -2.51 0.66 0.00 1.01 0.00 0.00 42.92 42.05 3c4i s ASP 17 CO 0.23 -1.18 1.99 -0.09 0.21 0.00 0.00 175.17 176.32 3c4i h ARG 18 N -0.02 0.73 -0.61 8.23 2.43 -1.94 -2.30 114.38 120.90 3c4i h ARG 18 Ca -0.45 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3c4i h ARG 18 Cb 1.21 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3c4i h ARG 18 CO 0.58 0.53 0.40 -0.09 -1.51 0.00 0.00 179.97 179.88 3c4i h ARG 19 N 0.74 0.78 -0.18 0.20 2.43 -1.99 -1.00 114.38 115.36 3c4i h ARG 19 Ca 0.19 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 3c4i h ARG 19 Cb 0.00 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3c4i h ARG 19 CO -0.03 0.52 -0.40 1.96 -1.51 0.00 0.00 179.97 180.51 3c4i h GLN 20 N 0.80 0.59 -0.38 0.20 4.20 -1.81 -1.58 115.11 117.14 3c4i h GLN 20 Ca 0.23 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 3c4i h GLN 20 Cb -0.06 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3c4i h GLN 20 CO -0.05 1.01 0.06 0.00 -0.67 0.00 0.00 178.83 179.18 3c4i h ALA 21 N 0.58 1.40 -0.27 3.87 0.00 -1.20 0.21 119.26 123.85 3c4i h ALA 21 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3c4i h ALA 21 Cb 1.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3c4i h ALA 21 CO 0.09 0.43 0.05 1.15 0.00 0.00 0.00 179.25 180.97 3c4i h THR 22 N 0.55 1.23 -0.67 0.00 2.02 -1.13 -1.39 112.91 113.52 3c4i h THR 22 Ca 0.12 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.58 3c4i h THR 22 Cb 0.26 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 3c4i h THR 22 CO 0.00 0.25 0.40 0.00 0.37 0.00 0.00 175.52 176.54 3c4i h ALA 23 N 0.87 0.87 0.17 6.16 0.00 -0.69 -1.39 119.26 125.27 3c4i h ALA 23 Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3c4i h ALA 23 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3c4i h ALA 23 CO 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 179.25 179.18 3c4i h ALA 24 N 1.30 -0.41 -0.24 0.00 0.00 -0.29 -0.81 119.26 118.81 3c4i h ALA 24 Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3c4i h ALA 24 Cb 0.07 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3c4i h ALA 24 CO -0.13 -0.77 0.13 0.28 0.00 0.00 0.00 179.25 178.76 3c4i h VAL 25 N -0.44 1.12 -0.05 0.00 2.07 -1.08 0.48 116.25 118.35 3c4i h VAL 25 Ca 0.01 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 3c4i h VAL 25 Cb 0.44 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3c4i h VAL 25 CO -0.08 0.12 -0.48 -0.33 0.02 0.00 0.00 177.57 176.82 3c4i h GLU 26 N 0.27 0.11 0.00 1.57 5.08 -1.15 -1.31 114.58 119.15 3c4i h GLU 26 Ca 0.08 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3c4i h GLU 26 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3c4i h GLU 26 CO -0.01 0.57 -1.23 -0.91 -1.00 0.00 0.00 179.01 176.43 3c4i h ASN 27 N 0.09 0.00 -0.08 1.42 2.35 -1.03 -0.59 115.58 117.74 3c4i h ASN 27 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3c4i h ASN 27 Cb 0.88 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 3c4i h ASN 27 CO 0.07 0.41 0.03 0.58 -1.65 0.00 0.00 177.43 176.87 3c4i h VAL 28 N 0.00 1.13 -0.21 2.81 2.07 -0.78 -1.86 116.25 119.40 3c4i h VAL 28 Ca -0.11 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.07 3c4i h VAL 28 Cb 1.41 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 3c4i h VAL 28 CO 0.03 0.11 -0.09 0.58 0.02 0.00 0.00 177.57 178.23 3c4i h VAL 29 N -0.02 0.70 -0.77 2.57 2.07 -1.23 -2.17 116.25 117.40 3c4i h VAL 29 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3c4i h VAL 29 Cb 0.15 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3c4i h VAL 29 CO -0.00 0.00 0.38 -0.78 0.02 0.00 0.00 177.57 177.19 3c4i h ASP 30 N -0.06 0.99 -0.35 0.57 3.58 -1.10 -0.60 116.42 119.43 3c4i h ASP 30 Ca 0.11 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.40 3c4i h ASP 30 Cb 0.23 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3c4i h ASP 30 CO -0.25 0.82 -0.02 0.74 -2.88 0.00 0.00 179.24 177.65 3c4i h THR 31 N 1.09 1.26 -0.11 2.25 2.02 -1.07 -1.89 112.91 116.47 3c4i h THR 31 Ca 0.27 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3c4i h THR 31 Cb 0.09 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3c4i h THR 31 CO -0.04 0.34 0.03 0.40 0.37 0.00 0.00 175.52 176.62 3c4i h ILE 32 N 0.45 1.19 -0.57 3.11 2.04 -1.08 -1.90 117.51 120.75 3c4i h ILE 32 Ca 0.10 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3c4i h ILE 32 Cb 0.49 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3c4i h ILE 32 CO 0.02 0.17 0.34 0.58 0.00 0.00 0.00 178.15 179.26 3c4i h VAL 33 N -0.02 1.17 -0.13 1.67 2.07 -1.10 -1.05 116.25 118.86 3c4i h VAL 33 Ca 0.03 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 3c4i h VAL 33 Cb 0.24 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3c4i h VAL 33 CO -0.00 0.18 -0.45 0.03 0.02 0.00 0.00 177.57 177.35 3c4i h ARG 34 N 0.77 0.30 -0.15 1.57 3.08 -1.30 0.28 114.38 118.93 3c4i h ARG 34 Ca 0.20 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3c4i h ARG 34 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3c4i h ARG 34 CO -0.04 0.70 -0.22 0.00 -1.07 0.00 0.00 179.97 179.34 3c4i h ALA 35 N 1.28 0.23 -0.82 0.04 0.00 -1.05 -2.72 119.26 116.22 3c4i h ALA 35 Ca 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3c4i h ALA 35 Cb 0.89 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3c4i h ALA 35 CO 0.07 0.19 0.37 0.28 0.00 0.00 0.00 179.25 180.16 3c4i h VAL 36 N 0.04 1.26 -0.84 0.00 2.07 -1.00 -1.59 116.25 116.20 3c4i h VAL 36 Ca 0.02 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 66.86 3c4i h VAL 36 Cb 0.79 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 3c4i h VAL 36 CO 0.05 0.32 0.50 -0.74 0.02 0.00 0.00 177.57 177.72 3c4i h HIS 37 N 1.17 0.91 -0.19 1.57 6.17 -0.35 0.26 115.15 124.70 3c4i h HIS 37 Ca 0.28 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.39 3c4i h HIS 37 Cb 0.15 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 29.79 3c4i h HIS 37 CO 0.02 0.41 0.00 0.36 0.71 0.00 0.00 177.93 179.43 3c4i n LYS 38 N -4.69 1.47 -0.44 5.26 2.85 -1.04 -4.87 118.16 116.69 3c4i n LYS 38 Ca 0.13 -0.68 0.00 0.00 -1.05 0.00 0.00 58.31 56.71 3c4i n LYS 38 Cb 0.23 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 3c4i n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3c4i n GLY 39 N 0.76 0.84 3.86 2.58 0.00 0.08 -5.04 105.19 108.27 3c4i n GLY 39 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3c4i n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3c4i s ASP 40 N -3.00 6.51 0.17 1.61 2.15 -0.62 -4.74 116.67 118.76 3c4i s ASP 40 Ca 0.00 1.36 0.04 0.00 0.43 0.00 0.00 52.55 54.38 3c4i s ASP 40 Cb 0.00 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.16 3c4i s ASP 40 CO 0.00 -0.56 0.23 -0.44 -0.17 0.00 0.00 175.17 174.23 3c4i s SER 41 N -3.32 5.95 -0.24 -0.34 0.01 -1.26 -3.18 113.70 111.33 3c4i s SER 41 Ca 0.55 0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.84 3c4i s SER 41 Cb -0.10 -1.68 0.06 0.00 0.21 0.00 0.00 66.02 64.50 3c4i s SER 41 CO 0.35 0.04 -0.09 -0.69 0.41 0.00 0.00 173.24 173.26 3c4i s VAL 42 N -1.81 1.89 -0.33 3.43 1.01 -0.05 -4.96 120.40 119.58 3c4i s VAL 42 Ca 0.33 -1.41 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 3c4i s VAL 42 Cb -0.10 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 3c4i s VAL 42 CO 0.26 -0.01 0.37 -0.89 0.00 0.00 0.00 175.10 174.83 3c4i s THR 43 N 1.24 5.16 -0.66 3.92 2.01 -1.26 -1.00 115.64 125.04 3c4i s THR 43 Ca -0.07 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 3c4i s THR 43 Cb -0.19 -3.81 0.17 0.00 0.01 0.00 0.00 72.50 68.68 3c4i s THR 43 CO -0.06 -0.06 0.53 -0.63 -0.69 0.00 0.00 174.62 173.71 3c4i s ILE 44 N 2.05 4.48 0.21 1.82 1.01 -0.36 -5.03 121.20 125.38 3c4i s ILE 44 Ca 0.13 -2.54 -0.32 0.00 0.00 0.00 0.00 60.65 57.91 3c4i s ILE 44 Cb -0.16 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.32 3c4i s ILE 44 CO 0.12 -0.91 1.64 0.41 0.00 0.00 0.00 174.94 176.20 3c4i n THR 45 N 3.96 0.20 0.00 2.92 -1.04 -1.26 -0.82 114.28 118.23 3c4i n THR 45 Ca 0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3c4i n THR 45 Cb 0.42 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 3c4i n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3c4i n GLY 46 N 3.44 2.96 0.06 3.41 0.00 -1.26 -4.84 105.19 108.97 3c4i n GLY 46 Ca 0.15 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 3c4i n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3c4i h PHE 47 N 0.00 -0.05 0.00 1.61 3.57 -1.32 -2.38 116.94 118.36 3c4i h PHE 47 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3c4i h PHE 47 Cb 0.00 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3c4i h PHE 47 CO 0.00 -0.03 0.00 0.41 -2.23 0.00 0.00 178.31 176.46 3c4i n GLY 48 N 1.65 -0.91 2.95 2.40 0.00 -0.77 -0.28 105.19 110.22 3c4i n GLY 48 Ca -0.01 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 3c4i n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c4i s VAL 49 N -3.00 0.89 -0.18 1.61 1.01 -0.32 -1.22 120.40 119.19 3c4i s VAL 49 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 3c4i s VAL 49 Cb 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3c4i s VAL 49 CO 0.00 0.31 0.16 -0.36 0.00 0.00 0.00 175.10 175.21 3c4i s PHE 50 N 0.98 3.46 0.13 5.22 0.40 -0.17 -0.37 117.98 127.64 3c4i s PHE 50 Ca -0.09 0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 56.60 3c4i s PHE 50 Cb -0.15 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 3c4i s PHE 50 CO 0.00 0.37 0.17 -1.83 0.70 0.00 0.00 175.22 174.63 3c4i s GLU 51 N 0.11 0.99 -0.13 0.44 -1.05 0.16 -0.87 118.70 118.34 3c4i s GLU 51 Ca 0.11 -1.22 -0.07 0.00 -0.15 0.00 0.00 54.97 53.64 3c4i s GLU 51 Cb -0.12 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 3c4i s GLU 51 CO 0.00 -0.32 0.11 -1.14 0.95 0.00 0.00 175.26 174.86 3c4i s GLN 52 N -3.97 3.51 0.19 -4.83 0.74 -1.26 0.45 119.66 114.50 3c4i s GLN 52 Ca 0.16 -0.20 0.05 0.00 0.05 0.00 0.00 55.36 55.42 3c4i s GLN 52 Cb 0.05 -3.16 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 3c4i s GLN 52 CO -0.02 0.66 -0.09 1.03 -0.55 0.00 0.00 175.29 176.32 3c4i s ARG 53 N -0.71 1.22 -0.25 1.67 0.52 0.16 -4.94 118.95 116.61 3c4i s ARG 53 Ca 0.13 -1.56 -0.08 0.00 -0.52 0.00 0.00 55.73 53.70 3c4i s ARG 53 Cb -0.12 -0.80 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 3c4i s ARG 53 CO 0.03 0.07 0.10 0.50 0.02 0.00 0.00 175.30 176.02 3c4i s ARG 54 N -3.74 3.76 -0.26 3.54 6.06 -1.26 0.13 118.95 127.18 3c4i s ARG 54 Ca 0.21 -0.43 -0.19 0.00 -2.50 0.00 0.00 55.73 52.83 3c4i s ARG 54 Cb 0.02 -3.39 -0.02 0.00 0.06 0.00 0.00 34.95 31.62 3c4i s ARG 54 CO 0.05 -0.14 0.56 1.03 -2.50 0.00 0.00 175.30 174.30 3c4i s ARG 55 N 1.53 4.08 -0.07 5.12 0.52 0.86 -4.97 118.95 126.02 3c4i s ARG 55 Ca 0.06 0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.71 3c4i s ARG 55 Cb -0.15 -3.65 0.01 0.00 0.52 0.00 0.00 34.95 31.68 3c4i s ARG 55 CO 0.05 -0.38 -0.13 0.00 0.02 0.00 0.00 175.30 174.86 3c4i s ALA 56 N 2.40 1.34 -0.71 2.13 0.00 -1.26 -0.85 121.76 124.80 3c4i s ALA 56 Ca 0.23 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 3c4i s ALA 56 Cb -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.36 3c4i s ALA 56 CO 0.09 0.09 0.46 0.00 0.00 0.00 0.00 175.76 176.40 3c4i n ALA 57 N 3.87 -0.57 -2.50 0.00 0.00 -1.26 -5.00 120.51 115.05 3c4i n ALA 57 Ca -0.22 0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 3c4i n ALA 57 Cb 0.52 -2.63 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 3c4i n ALA 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3c4i s ARG 58 N -5.41 4.51 0.38 0.00 3.52 -1.25 -4.89 118.95 115.82 3c4i s ARG 58 Ca 0.23 1.12 -0.12 0.00 -0.13 0.00 0.00 55.73 56.83 3c4i s ARG 58 Cb -0.10 -3.40 -0.07 0.00 -1.56 0.00 0.00 34.95 29.82 3c4i s ARG 58 CO 0.28 0.18 0.76 0.54 -0.81 0.00 0.00 175.30 176.26 3c4i s VAL 59 N 0.28 4.75 -0.07 7.11 0.11 -1.26 0.55 120.40 131.87 3c4i s VAL 59 Ca 0.41 0.72 -0.31 0.00 -2.93 0.00 0.00 61.98 59.87 3c4i s VAL 59 Cb -0.20 -3.70 0.08 0.00 -1.53 0.00 0.00 36.38 31.02 3c4i s VAL 59 CO 0.23 -0.43 0.71 0.00 -3.33 0.00 0.00 175.10 172.28 3c4i s ALA 60 N -2.27 -1.79 -0.31 1.54 0.00 0.12 -4.83 121.76 114.22 3c4i s ALA 60 Ca 0.52 1.38 -0.19 0.00 0.00 0.00 0.00 51.96 53.67 3c4i s ALA 60 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 3c4i s ALA 60 CO 0.28 -0.36 0.54 1.03 0.00 0.00 0.00 175.76 177.24 3c4i s ARG 61 N -1.10 3.84 -0.21 0.00 0.52 -1.26 0.71 118.95 121.45 3c4i s ARG 61 Ca -0.10 0.11 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 3c4i s ARG 61 Cb -0.00 -3.74 -0.07 0.00 0.52 0.00 0.00 34.95 31.66 3c4i s ARG 61 CO 0.09 -0.53 2.18 -1.71 0.02 0.00 0.00 175.30 175.35 3c4i n ASN 62 N 5.72 3.19 0.00 0.23 4.05 -0.67 -4.81 115.26 122.97 3c4i n ASN 62 Ca -0.04 0.34 0.11 0.00 0.45 0.00 0.00 54.58 55.44 3c4i n ASN 62 Cb 0.49 -1.50 0.53 0.00 1.23 0.00 0.00 39.78 40.53 3c4i n ASN 62 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3c4i n PRO 63 N 8.46 0.19 0.16 1.20 -0.05 -1.26 0.16 135.00 143.86 3c4i n PRO 63 Ca 0.30 0.09 -0.08 0.00 -0.05 0.00 0.00 63.50 63.76 3c4i n PRO 63 Cb 0.40 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 32.31 3c4i n PRO 63 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 175.50 175.36 3c4i h ARG 64 N 0.00 -0.47 0.00 0.54 2.43 -1.98 -3.39 114.38 111.51 3c4i h ARG 64 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3c4i h ARG 64 Cb 0.28 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3c4i h ARG 64 CO 0.00 -0.27 -1.26 0.25 -1.51 0.00 0.00 179.97 177.18 3c4i n THR 65 N -5.10 0.02 0.00 0.20 -2.24 -1.05 -4.99 114.28 101.11 3c4i n THR 65 Ca -0.07 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3c4i n THR 65 Cb 0.21 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3c4i n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c4i n GLY 66 N 1.42 2.99 3.74 3.38 0.00 0.42 -5.00 105.19 112.15 3c4i n GLY 66 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3c4i n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c4i s GLU 67 N -0.05 4.42 0.11 1.61 2.02 -1.25 -4.59 118.70 120.97 3c4i s GLU 67 Ca 0.00 2.02 -0.31 0.00 0.02 0.00 0.00 54.97 56.70 3c4i s GLU 67 Cb 0.00 -3.19 -0.07 0.00 0.10 0.00 0.00 34.13 30.97 3c4i s GLU 67 CO 0.00 -0.19 1.32 0.99 0.02 0.00 0.00 175.26 177.40 3c4i s THR 68 N -0.11 3.53 0.06 3.63 2.01 -1.26 -1.68 115.64 121.82 3c4i s THR 68 Ca 0.54 1.12 0.05 0.00 0.31 0.00 0.00 61.69 63.72 3c4i s THR 68 Cb -0.36 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 3c4i s THR 68 CO 0.39 0.10 -0.15 0.68 -0.69 0.00 0.00 174.62 174.95 3c4i s VAL 69 N 0.96 1.18 -0.00 3.82 -7.23 0.22 -4.96 120.40 114.39 3c4i s VAL 69 Ca 0.62 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 3c4i s VAL 69 Cb -0.34 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 3c4i s VAL 69 CO 0.31 -0.09 1.15 -0.54 -0.31 0.00 0.00 175.10 175.62 3c4i s LYS 70 N -1.45 4.43 0.02 4.82 1.02 -1.26 0.14 119.74 127.46 3c4i s LYS 70 Ca 0.01 1.64 -0.23 0.00 0.02 0.00 0.00 55.97 57.41 3c4i s LYS 70 Cb -0.09 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 3c4i s LYS 70 CO 0.02 -0.29 0.69 0.08 -0.92 0.00 0.00 175.35 174.92 3c4i s VAL 71 N 1.53 4.81 0.46 3.17 1.01 0.19 -4.94 120.40 126.62 3c4i s VAL 71 Ca 0.56 1.45 -0.24 0.00 0.00 0.00 0.00 61.98 63.75 3c4i s VAL 71 Cb -0.25 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 3c4i s VAL 71 CO 0.26 0.39 1.23 -1.59 0.00 0.00 0.00 175.10 175.38 3c4i s LYS 72 N -0.14 3.73 0.45 2.72 -2.85 -1.26 -3.84 119.74 118.55 3c4i s LYS 72 Ca 0.35 1.94 -0.22 0.00 -1.00 0.00 0.00 55.97 57.04 3c4i s LYS 72 Cb -0.19 -2.49 -0.11 0.00 -2.06 0.00 0.00 37.83 32.98 3c4i s LYS 72 CO 0.20 -0.62 0.75 -2.30 0.10 0.00 0.00 175.35 173.48 3c4i n PRO 73 N -0.38 0.88 -3.87 1.78 -0.02 -1.26 -4.88 135.00 127.24 3c4i n PRO 73 Ca 0.07 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.75 3c4i n PRO 73 Cb 0.46 -1.78 -0.11 0.00 -0.02 0.00 0.00 33.50 32.05 3c4i n PRO 73 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3c4i s THR 74 N -1.42 0.06 -0.04 3.45 -1.32 -0.03 -5.00 115.64 111.34 3c4i s THR 74 Ca 0.65 -0.46 -0.22 0.00 -1.21 0.00 0.00 61.69 60.45 3c4i s THR 74 Cb -0.56 -0.31 -0.05 0.00 -1.51 0.00 0.00 72.50 70.08 3c4i s THR 74 CO 0.56 -0.25 0.63 -0.44 -2.21 0.00 0.00 174.62 172.91 3c4i s SER 75 N -0.83 6.97 0.05 8.08 0.01 -1.26 -0.10 113.70 126.62 3c4i s SER 75 Ca -0.09 1.16 0.06 0.00 1.31 0.00 0.00 55.95 58.38 3c4i s SER 75 Cb -0.05 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 3c4i s SER 75 CO 0.01 0.00 -0.17 0.68 0.41 0.00 0.00 173.24 174.17 3c4i s VAL 76 N 0.27 1.35 0.42 3.43 -7.23 0.36 -4.94 120.40 114.06 3c4i s VAL 76 Ca 0.33 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 59.21 3c4i s VAL 76 Cb -0.18 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.47 3c4i s VAL 76 CO 0.17 0.05 0.86 -2.16 -0.31 0.00 0.00 175.10 173.71 3c4i s PRO 77 N -1.27 3.97 0.01 4.82 0.04 -1.26 0.36 135.00 141.68 3c4i s PRO 77 Ca 0.04 0.79 -0.18 0.00 0.04 0.00 0.00 61.00 61.69 3c4i s PRO 77 Cb -0.09 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.21 3c4i s PRO 77 CO 0.02 -0.06 0.40 0.00 0.04 0.00 0.00 177.00 177.40 3c4i s ALA 78 N -2.32 -1.01 -0.08 8.56 0.00 0.17 -4.88 121.76 122.21 3c4i s ALA 78 Ca 0.56 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.98 3c4i s ALA 78 Cb -0.10 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3c4i s ALA 78 CO 0.24 -0.36 -0.10 0.12 0.00 0.00 0.00 175.76 175.66 3c4i s PHE 79 N -1.84 1.38 -0.37 0.00 5.36 -1.26 0.36 117.98 121.62 3c4i s PHE 79 Ca -0.09 -0.57 -0.11 0.00 -0.96 0.00 0.00 56.93 55.20 3c4i s PHE 79 Cb -0.02 -1.08 0.02 0.00 -0.34 0.00 0.00 43.02 41.60 3c4i s PHE 79 CO 0.02 -0.35 0.21 1.03 -1.46 0.00 0.00 175.22 174.67 3c4i s ARG 80 N 1.05 2.87 0.30 10.12 0.52 0.50 -4.94 118.95 129.37 3c4i s ARG 80 Ca -0.07 -1.05 -0.28 0.00 -0.52 0.00 0.00 55.73 53.80 3c4i s ARG 80 Cb -0.15 -3.73 -0.13 0.00 0.52 0.00 0.00 34.95 31.46 3c4i s ARG 80 CO -0.01 -0.68 1.13 -2.30 0.02 0.00 0.00 175.30 173.46 3c4i n PRO 81 N 5.00 1.66 -2.30 3.54 -0.02 -1.26 -1.17 135.00 140.45 3c4i n PRO 81 Ca -0.12 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 3c4i n PRO 81 Cb 0.46 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 3c4i n PRO 81 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3c4i s GLY 82 N -0.41 1.94 0.30 -1.23 0.00 0.61 -4.85 107.32 103.68 3c4i s GLY 82 Ca 0.58 0.07 0.06 0.00 0.00 0.00 0.00 44.72 45.43 3c4i s GLY 82 CO 0.60 0.33 1.69 0.00 0.00 0.00 0.00 173.10 175.72 3c4i h ALA 83 N 0.60 1.54 -0.01 3.20 0.00 -1.87 0.42 119.26 123.14 3c4i h ALA 83 Ca -0.46 0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.36 3c4i h ALA 83 Cb 1.19 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.14 3c4i h ALA 83 CO 0.62 -0.38 -1.00 1.96 0.00 0.00 0.00 179.25 180.45 3c4i h GLN 84 N 0.39 0.62 -0.59 0.00 1.08 -1.92 -1.56 115.11 113.14 3c4i h GLN 84 Ca 0.60 -0.66 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 3c4i h GLN 84 Cb 1.18 0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 28.77 3c4i h GLN 84 CO -0.55 1.26 0.29 0.35 -0.95 0.00 0.00 178.83 179.23 3c4i h PHE 85 N 0.36 0.85 -0.64 2.96 3.04 -0.76 -2.06 116.94 120.68 3c4i h PHE 85 Ca -0.11 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.76 3c4i h PHE 85 Cb 1.64 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.86 3c4i h PHE 85 CO 0.09 0.65 0.25 0.87 -2.02 0.00 0.00 178.31 178.14 3c4i h LYS 86 N 0.80 0.96 -0.44 1.11 1.57 -0.96 -2.24 116.57 117.38 3c4i h LYS 86 Ca 0.20 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3c4i h LYS 86 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3c4i h LYS 86 CO -0.03 0.82 0.00 0.00 -0.57 0.00 0.00 179.45 179.67 3c4i h ALA 87 N 1.10 1.18 -0.06 3.86 0.00 -0.99 0.79 119.26 125.14 3c4i h ALA 87 Ca 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3c4i h ALA 87 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3c4i h ALA 87 CO -0.02 0.53 -0.11 0.28 0.00 0.00 0.00 179.25 179.93 3c4i h VAL 88 N 0.67 1.41 -0.74 0.00 2.07 -1.32 0.12 116.25 118.46 3c4i h VAL 88 Ca 0.13 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 3c4i h VAL 88 Cb 0.41 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 3c4i h VAL 88 CO 0.02 0.39 0.21 0.58 0.02 0.00 0.00 177.57 178.78 3c4i h VAL 89 N -0.30 1.26 0.00 2.57 2.07 -1.19 -2.49 116.25 118.18 3c4i h VAL 89 Ca 0.00 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3c4i h VAL 89 Cb 0.69 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3c4i h VAL 89 CO 0.03 0.37 -0.19 0.77 0.02 0.00 0.00 177.57 178.57 3c4i h SER 90 N 1.10 0.00 0.00 0.57 4.64 -0.93 -3.47 113.55 115.47 3c4i h SER 90 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3c4i h SER 90 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3c4i h SER 90 CO -0.00 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3c4i n GLY 91 N -0.11 0.75 0.16 -0.77 0.00 -0.93 -4.97 105.19 99.32 3c4i n GLY 91 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3c4i n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c4i h ALA 92 N 0.00 0.31 -3.57 4.61 0.00 -1.10 -3.44 119.26 116.07 3c4i h ALA 92 Ca 0.00 -0.34 -0.67 0.00 0.00 0.00 0.00 54.91 53.91 3c4i h ALA 92 Cb 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.56 3c4i h ALA 92 CO 0.00 0.21 -0.72 1.14 0.00 0.00 0.00 179.25 179.88 3c4i s GLN 93 N -4.42 2.37 0.13 0.00 -2.07 -0.30 -5.01 119.66 110.36 3c4i s GLN 93 Ca -0.13 -0.87 -0.11 0.00 -1.82 0.00 0.00 55.36 52.43 3c4i s GLN 93 Cb 0.07 -2.42 -0.06 0.00 -1.09 0.00 0.00 33.01 29.51 3c4i s GLN 93 CO 0.78 0.55 0.47 1.03 -1.32 0.00 0.00 175.29 176.80 3c4i s ARG 94 N -1.85 3.82 0.69 9.60 3.00 -1.26 -4.04 118.95 128.92 3c4i s ARG 94 Ca 0.20 0.27 -0.16 0.00 0.00 0.00 0.00 55.73 56.04 3c4i s ARG 94 Cb -0.11 -2.90 0.02 0.00 0.00 0.00 0.00 34.95 31.95 3c4i s ARG 94 CO 0.11 0.48 1.19 -0.51 0.00 0.00 0.00 175.30 176.57 3c4i s LEU 95 N -2.15 3.39 0.52 2.53 1.43 -1.26 -4.99 118.68 118.16 3c4i s LEU 95 Ca 0.38 2.28 -0.21 0.00 -1.03 0.00 0.00 54.13 55.55 3c4i s LEU 95 Cb -0.14 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.45 3c4i s LEU 95 CO 0.19 -2.01 1.24 -2.16 0.23 0.00 0.00 176.35 173.85 3c4i s PRO 96 N -3.85 3.34 0.00 1.29 0.04 -1.26 -5.23 135.00 129.33 3c4i s PRO 96 Ca 0.73 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3c4i s PRO 96 Cb -0.27 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3c4i s PRO 96 CO 0.42 -0.94 0.06 0.00 0.04 0.00 0.00 177.00 176.58