#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfc s THR 27 N 0.00 4.72 0.00 1.96 -4.23 -1.26 -5.03 115.64 111.80 1sfc s THR 27 Ca 0.00 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1sfc s THR 27 Cb 0.00 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1sfc s THR 27 CO 0.00 -0.71 0.00 -1.54 -0.54 0.00 0.00 174.62 171.83 1sfc n SER 28 N -1.72 0.00 0.00 3.99 3.41 -1.26 -4.99 113.62 113.05 1sfc n SER 28 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1sfc n SER 28 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1sfc n SER 28 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sfc n ASN 29 N 0.00 0.00 -0.33 4.04 5.03 -1.26 -4.83 115.26 117.92 1sfc n ASN 29 Ca 0.00 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.47 1sfc n ASN 29 Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 38.84 1sfc n ASN 29 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1sfc n ARG 30 N -0.46 -0.15 0.08 3.52 0.63 -1.26 0.45 116.66 119.48 1sfc n ARG 30 Ca 0.00 1.36 -0.12 0.00 -0.92 0.00 0.00 57.85 58.17 1sfc n ARG 30 Cb 0.00 -2.02 -0.05 0.00 0.45 0.00 0.00 32.46 30.84 1sfc n ARG 30 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1sfc h ARG 31 N 0.00 -0.36 -0.93 -0.14 9.65 -2.00 0.53 114.38 121.11 1sfc h ARG 31 Ca 0.36 0.02 0.27 0.00 -1.10 0.00 0.00 59.98 59.53 1sfc h ARG 31 Cb 0.58 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.20 1sfc h ARG 31 CO -0.89 -0.24 0.67 1.25 2.80 0.00 0.00 179.97 183.56 1sfc h LEU 32 N -0.38 0.01 0.51 3.80 5.85 -0.40 0.11 115.31 124.81 1sfc h LEU 32 Ca 0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1sfc h LEU 32 Cb 0.43 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1sfc h LEU 32 CO -0.16 0.00 -0.24 1.56 -0.34 0.00 0.00 178.44 179.26 1sfc h GLN 33 N 0.01 -0.66 -0.26 1.25 4.20 0.81 -1.68 115.11 118.79 1sfc h GLN 33 Ca 0.45 0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.17 1sfc h GLN 33 Cb 1.77 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.68 1sfc h GLN 33 CO -0.01 -0.36 0.03 -0.56 -0.67 0.00 0.00 178.83 177.25 1sfc h GLN 34 N -0.87 0.38 -0.37 1.46 3.07 -0.59 0.16 115.11 118.34 1sfc h GLN 34 Ca -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.62 1sfc h GLN 34 Cb 0.59 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.07 1sfc h GLN 34 CO 0.11 0.38 0.24 1.15 0.09 0.00 0.00 178.83 180.81 1sfc h THR 35 N 0.37 1.10 0.00 1.86 2.02 -0.69 0.32 112.91 117.89 1sfc h THR 35 Ca 0.09 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1sfc h THR 35 Cb 0.21 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1sfc h THR 35 CO 0.00 0.09 -0.47 -0.61 0.37 0.00 0.00 175.52 174.90 1sfc h GLN 36 N 0.50 0.00 -0.15 6.66 4.15 0.22 -2.24 115.11 124.25 1sfc h GLN 36 Ca 0.14 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.46 1sfc h GLN 36 Cb -0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1sfc h GLN 36 CO -0.03 0.47 -0.27 0.00 -1.93 0.00 0.00 178.83 177.07 1sfc h ALA 37 N 1.53 0.23 0.00 3.38 0.00 0.10 -2.36 119.26 122.15 1sfc h ALA 37 Ca -0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1sfc h ALA 37 Cb 1.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1sfc h ALA 37 CO 0.06 0.23 -0.31 -0.56 0.00 0.00 0.00 179.25 178.67 1sfc h GLN 38 N 0.06 0.00 0.00 0.00 3.07 -0.85 0.12 115.11 117.52 1sfc h GLN 38 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1sfc h GLN 38 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.42 1sfc h GLN 38 CO 0.06 0.31 0.00 0.28 0.09 0.00 0.00 178.83 179.57 1sfc h VAL 39 N 0.00 0.00 0.12 1.86 2.07 -1.34 -1.32 116.25 117.63 1sfc h VAL 39 Ca -0.00 -0.42 -0.35 0.00 0.82 0.00 0.00 66.70 66.75 1sfc h VAL 39 Cb 0.94 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1sfc h VAL 39 CO 0.04 0.00 -1.88 0.44 0.02 0.00 0.00 177.57 176.19 1sfc h ASP 40 N 0.00 0.38 -0.53 0.57 3.32 -0.64 -3.24 116.42 116.27 1sfc h ASP 40 Ca 0.00 -0.90 0.01 0.00 0.02 0.00 0.00 57.03 56.16 1sfc h ASP 40 Cb 0.56 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1sfc h ASP 40 CO 0.00 1.81 0.34 -0.08 -1.72 0.00 0.00 179.24 179.59 1sfc h GLU 41 N -0.06 0.67 0.00 3.56 4.81 -0.52 -0.15 114.58 122.89 1sfc h GLU 41 Ca -0.41 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1sfc h GLU 41 Cb 1.95 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.17 1sfc h GLU 41 CO 0.06 0.44 -0.10 0.28 -0.73 0.00 0.00 179.01 178.96 1sfc h VAL 42 N 0.69 0.47 -0.00 0.32 2.07 -1.41 -1.13 116.25 117.26 1sfc h VAL 42 Ca 0.20 -0.51 -0.21 0.00 0.82 0.00 0.00 66.70 67.00 1sfc h VAL 42 Cb -0.04 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1sfc h VAL 42 CO -0.06 0.10 -0.90 0.58 0.02 0.00 0.00 177.57 177.31 1sfc h VAL 43 N 0.00 1.44 0.34 2.57 2.07 -1.09 -1.72 116.25 119.86 1sfc h VAL 43 Ca -0.00 -2.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.01 1sfc h VAL 43 Cb 0.34 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1sfc h VAL 43 CO 0.01 0.74 -0.16 0.44 0.02 0.00 0.00 177.57 178.62 1sfc h ASP 44 N 0.18 -0.39 -0.92 0.57 3.32 -0.14 0.17 116.42 119.22 1sfc h ASP 44 Ca -0.06 -0.11 0.17 0.00 0.02 0.00 0.00 57.03 57.05 1sfc h ASP 44 Cb 1.53 0.10 -0.10 0.00 0.22 0.00 0.00 39.33 41.08 1sfc h ASP 44 CO 0.15 -0.10 0.51 0.40 -1.72 0.00 0.00 179.24 178.47 1sfc h ILE 45 N -0.68 0.69 -0.29 0.35 2.04 -1.37 0.88 117.51 119.13 1sfc h ILE 45 Ca -0.05 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 1sfc h ILE 45 Cb 0.48 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1sfc h ILE 45 CO 0.08 0.12 -0.26 0.24 0.00 0.00 0.00 178.15 178.32 1sfc h MET 46 N 0.66 0.69 -0.36 2.37 2.86 -1.07 0.34 114.93 120.42 1sfc h MET 46 Ca 0.52 -0.36 0.07 0.00 -2.06 0.00 0.00 59.70 57.88 1sfc h MET 46 Cb 0.81 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.41 1sfc h MET 46 CO -0.39 0.97 -0.02 -0.09 1.06 0.00 0.00 176.91 178.43 1sfc h ARG 47 N 0.44 0.07 0.30 1.72 9.65 0.96 0.23 114.38 127.74 1sfc h ARG 47 Ca 0.05 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1sfc h ARG 47 Cb 0.83 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1sfc h ARG 47 CO 0.07 0.05 -0.20 0.28 2.80 0.00 0.00 179.97 182.96 1sfc h VAL 48 N 0.07 0.57 -0.86 0.20 2.07 -0.77 -2.21 116.25 115.32 1sfc h VAL 48 Ca 0.18 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.90 1sfc h VAL 48 Cb 0.26 0.57 -0.12 0.00 -1.52 0.00 0.00 31.29 30.47 1sfc h VAL 48 CO -0.32 0.00 0.32 0.78 0.02 0.00 0.00 177.57 178.37 1sfc h ASN 49 N -0.49 0.21 -0.94 0.57 -0.26 0.04 0.47 115.58 115.18 1sfc h ASN 49 Ca -0.03 0.16 0.05 0.00 -0.56 0.00 0.00 56.30 55.93 1sfc h ASN 49 Cb 0.42 0.17 -0.06 0.00 -1.06 0.00 0.00 38.32 37.79 1sfc h ASN 49 CO 0.01 -0.03 0.60 0.58 -1.06 0.00 0.00 177.43 177.54 1sfc h VAL 50 N 0.35 1.10 0.50 2.81 2.07 0.02 0.20 116.25 123.30 1sfc h VAL 50 Ca 0.52 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1sfc h VAL 50 Cb 0.98 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1sfc h VAL 50 CO -0.54 0.20 -0.24 -0.78 0.02 0.00 0.00 177.57 176.23 1sfc h ASP 51 N 1.12 -0.57 -0.63 0.57 3.58 0.23 -0.80 116.42 119.92 1sfc h ASP 51 Ca 0.40 -0.02 0.18 0.00 0.42 0.00 0.00 57.03 58.01 1sfc h ASP 51 Cb 0.11 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 1sfc h ASP 51 CO -0.16 -0.35 0.55 0.11 -2.88 0.00 0.00 179.24 176.51 1sfc h LYS 52 N -0.75 0.00 0.00 0.28 1.57 0.16 0.17 116.57 117.99 1sfc h LYS 52 Ca -0.07 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.50 1sfc h LYS 52 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1sfc h LYS 52 CO 0.11 0.00 -1.38 -0.24 -0.57 0.00 0.00 179.45 177.37 1sfc h VAL 53 N 0.00 0.82 -0.23 0.50 3.04 -0.11 -2.03 116.25 118.24 1sfc h VAL 53 Ca 0.30 -2.46 -0.15 0.00 -1.01 0.00 0.00 66.70 63.38 1sfc h VAL 53 Cb 1.40 2.32 -0.01 0.00 -2.01 0.00 0.00 31.29 32.98 1sfc h VAL 53 CO -0.00 0.46 -0.48 -0.07 -1.01 0.00 0.00 177.57 176.47 1sfc h LEU 54 N 0.00 0.65 0.04 3.16 3.38 0.65 0.26 115.31 123.46 1sfc h LEU 54 Ca -0.17 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1sfc h LEU 54 Cb 1.75 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1sfc h LEU 54 CO 0.07 1.03 -0.02 -0.08 0.09 0.00 0.00 178.44 179.53 1sfc h GLU 55 N 0.48 -0.05 -0.83 1.13 4.81 -0.84 -0.53 114.58 118.74 1sfc h GLU 55 Ca 0.02 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 1sfc h GLU 55 Cb 1.01 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 1sfc h GLU 55 CO 0.09 0.13 0.54 -0.09 -0.73 0.00 0.00 179.01 178.95 1sfc h ARG 56 N -0.23 0.67 -0.05 1.92 2.43 -1.04 0.43 114.38 118.52 1sfc h ARG 56 Ca -0.01 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1sfc h ARG 56 Cb 0.21 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1sfc h ARG 56 CO 0.01 0.44 -0.01 0.22 -1.51 0.00 0.00 179.97 179.12 1sfc h ASP 57 N 0.69 -0.04 -0.55 -3.80 1.82 0.35 0.90 116.42 115.78 1sfc h ASP 57 Ca 0.40 0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.96 1sfc h ASP 57 Cb 0.59 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.61 1sfc h ASP 57 CO -0.16 -0.02 -0.03 -0.61 -1.61 0.00 0.00 179.24 176.81 1sfc h GLN 58 N 0.00 1.02 0.00 0.28 5.75 0.64 -0.40 115.11 122.39 1sfc h GLN 58 Ca 0.02 -0.33 -0.08 0.00 -0.15 0.00 0.00 58.65 58.11 1sfc h GLN 58 Cb 0.03 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1sfc h GLN 58 CO -0.05 1.02 -0.39 0.87 -2.65 0.00 0.00 178.83 177.63 1sfc h LYS 59 N 0.93 0.00 -0.07 1.69 1.57 0.31 -2.29 116.57 118.71 1sfc h LYS 59 Ca 0.16 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 1sfc h LYS 59 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1sfc h LYS 59 CO 0.03 0.39 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.59 1sfc h LEU 60 N 0.00 0.68 -1.11 2.94 3.38 0.12 -2.47 115.31 118.85 1sfc h LEU 60 Ca -0.00 -0.69 0.12 0.00 0.09 0.00 0.00 57.88 57.40 1sfc h LEU 60 Cb 0.71 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1sfc h LEU 60 CO 0.05 1.26 0.61 -1.28 0.09 0.00 0.00 178.44 179.18 1sfc h SER 61 N 0.15 0.84 0.01 -0.43 0.87 -0.82 0.53 113.55 114.70 1sfc h SER 61 Ca -0.06 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1sfc h SER 61 Cb 1.30 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1sfc h SER 61 CO 0.13 0.44 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.54 1sfc h GLU 62 N 0.90 -0.01 -0.37 2.24 5.08 -1.43 -2.10 114.58 118.88 1sfc h GLU 62 Ca 0.48 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.95 1sfc h GLU 62 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1sfc h GLU 62 CO -0.24 0.44 0.27 1.25 -1.00 0.00 0.00 179.01 179.73 1sfc h LEU 63 N -0.47 0.00 0.15 1.33 5.85 -0.78 0.66 115.31 122.05 1sfc h LEU 63 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1sfc h LEU 63 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1sfc h LEU 63 CO 0.00 0.00 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.25 1sfc h ASP 64 N 0.00 -0.17 -0.39 1.25 3.58 0.29 0.13 116.42 121.12 1sfc h ASP 64 Ca 0.18 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1sfc h ASP 64 Cb 0.72 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 1sfc h ASP 64 CO -0.00 0.19 0.24 0.44 -2.88 0.00 0.00 179.24 177.23 1sfc h ASP 65 N -0.56 0.47 -0.02 2.28 3.32 -0.39 -1.07 116.42 120.45 1sfc h ASP 65 Ca -0.02 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1sfc h ASP 65 Cb 0.43 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1sfc h ASP 65 CO 0.03 0.37 -0.29 0.03 -1.72 0.00 0.00 179.24 177.66 1sfc h ARG 66 N 0.55 0.24 -0.73 3.56 3.08 -0.85 0.62 114.38 120.85 1sfc h ARG 66 Ca 0.15 -0.22 0.09 0.00 0.07 0.00 0.00 59.98 60.06 1sfc h ARG 66 Cb -0.02 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 1sfc h ARG 66 CO -0.03 0.91 0.38 0.00 -1.07 0.00 0.00 179.97 180.17 1sfc h ALA 67 N 0.33 1.01 0.29 0.04 0.00 -0.79 1.84 119.26 121.98 1sfc h ALA 67 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sfc h ALA 67 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sfc h ALA 67 CO 0.06 0.00 -0.15 0.22 0.00 0.00 0.00 179.25 179.38 1sfc h ASP 68 N 0.66 -0.36 -0.83 0.00 3.58 -1.16 0.36 116.42 118.65 1sfc h ASP 68 Ca 0.35 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.78 1sfc h ASP 68 Cb 0.34 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 1sfc h ASP 68 CO -0.25 -0.25 0.39 0.00 -2.88 0.00 0.00 179.24 176.24 1sfc h ALA 69 N 0.30 1.08 -0.53 -0.78 0.00 0.42 -1.32 119.26 118.42 1sfc h ALA 69 Ca -0.04 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1sfc h ALA 69 Cb 0.32 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1sfc h ALA 69 CO 0.06 0.66 0.19 1.25 0.00 0.00 0.00 179.25 181.41 1sfc h LEU 70 N 1.19 0.20 0.59 0.00 6.46 0.34 -1.08 115.31 123.01 1sfc h LEU 70 Ca 0.28 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.09 1sfc h LEU 70 Cb 0.14 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1sfc h LEU 70 CO -0.03 0.14 -0.40 -0.61 -0.62 0.00 0.00 178.44 176.91 1sfc h GLN 71 N 0.38 -0.91 -0.97 1.25 4.15 0.51 -0.15 115.11 119.36 1sfc h GLN 71 Ca 0.26 0.06 0.18 0.00 0.77 0.00 0.00 58.65 59.92 1sfc h GLN 71 Cb 0.28 0.21 -0.10 0.00 0.21 0.00 0.00 27.48 28.08 1sfc h GLN 71 CO -0.26 -0.61 0.58 0.00 -1.93 0.00 0.00 178.83 176.61 1sfc h ALA 72 N -0.66 1.58 -0.17 3.38 0.00 -0.88 0.37 119.26 122.88 1sfc h ALA 72 Ca -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1sfc h ALA 72 Cb 0.78 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1sfc h ALA 72 CO 0.05 -0.03 0.04 0.78 0.00 0.00 0.00 179.25 180.08 1sfc h GLY 73 N 0.76 0.28 1.11 0.00 0.00 -0.79 -2.11 103.07 102.32 1sfc h GLY 73 Ca 0.55 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.72 1sfc h GLY 73 CO -0.37 0.17 0.55 0.00 0.00 0.00 0.00 176.54 176.89 1sfc h ALA 74 N 0.85 1.45 -0.08 3.60 0.00 0.82 -1.58 119.26 124.31 1sfc h ALA 74 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1sfc h ALA 74 Cb 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sfc h ALA 74 CO 0.00 0.49 -0.19 1.03 0.00 0.00 0.00 179.25 180.58 1sfc h SER 75 N 1.08 0.12 -0.02 0.00 0.87 0.02 -0.31 113.55 115.32 1sfc h SER 75 Ca 0.32 -0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.63 1sfc h SER 75 Cb -0.04 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1sfc h SER 75 CO -0.08 0.32 -0.86 1.56 -0.53 0.00 0.00 176.83 177.24 1sfc h GLN 76 N 0.12 0.62 -0.76 2.24 4.20 -0.64 -2.59 115.11 118.30 1sfc h GLN 76 Ca 0.02 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.10 1sfc h GLN 76 Cb 0.41 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1sfc h GLN 76 CO 0.03 1.24 0.49 0.35 -0.67 0.00 0.00 178.83 180.27 1sfc h PHE 77 N 0.25 0.96 -0.92 2.96 3.57 -1.08 0.12 116.94 122.80 1sfc h PHE 77 Ca -0.10 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.51 1sfc h PHE 77 Cb 1.53 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 1sfc h PHE 77 CO 0.12 0.62 0.56 1.49 -2.23 0.00 0.00 178.31 178.87 1sfc h GLU 78 N 1.03 0.92 -0.29 1.11 4.22 -1.03 0.60 114.58 121.14 1sfc h GLU 78 Ca 0.28 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.58 1sfc h GLU 78 Cb -0.10 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1sfc h GLU 78 CO -0.06 0.61 -0.11 1.15 -2.18 0.00 0.00 179.01 178.42 1sfc h THR 79 N 0.95 1.29 -0.25 0.32 2.02 -0.87 -0.75 112.91 115.63 1sfc h THR 79 Ca 0.43 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 1sfc h THR 79 Cb 0.34 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1sfc h THR 79 CO -0.23 0.38 -0.20 0.28 0.37 0.00 0.00 175.52 176.12 1sfc h SER 80 N 0.35 0.60 -0.85 4.18 0.02 -0.40 -0.37 113.55 117.08 1sfc h SER 80 Ca 0.07 -0.45 0.08 0.00 -0.84 0.00 0.00 61.79 60.64 1sfc h SER 80 Cb 0.61 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 1sfc h SER 80 CO 0.04 0.93 0.51 0.00 -1.14 0.00 0.00 176.83 177.17 1sfc h ALA 81 N 0.69 1.19 0.06 3.77 0.00 0.22 0.29 119.26 125.49 1sfc h ALA 81 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sfc h ALA 81 Cb 0.74 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1sfc h ALA 81 CO 0.05 0.21 -0.03 0.00 0.00 0.00 0.00 179.25 179.48 1sfc h ALA 82 N 1.43 -0.09 0.00 0.00 0.00 -0.91 -2.51 119.26 117.18 1sfc h ALA 82 Ca 0.39 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1sfc h ALA 82 Cb 0.26 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sfc h ALA 82 CO -0.20 -0.51 -0.02 0.87 0.00 0.00 0.00 179.25 179.39 1sfc h LYS 83 N -0.17 0.00 0.00 0.00 1.79 0.20 -1.51 116.57 116.87 1sfc h LYS 83 Ca -0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1sfc h LYS 83 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1sfc h LYS 83 CO 0.01 0.02 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.34 1sfc h LEU 84 N 0.00 -0.00 -1.41 2.94 4.07 -0.04 -2.69 115.31 118.17 1sfc h LEU 84 Ca -0.00 -0.59 -0.05 0.00 0.08 0.00 0.00 57.88 57.32 1sfc h LEU 84 Cb 0.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1sfc h LEU 84 CO 0.00 0.59 -0.24 0.07 -1.08 0.00 0.00 178.44 177.79 1sfc h LYS 85 N -0.60 0.00 0.23 1.13 2.10 -1.23 -1.66 116.57 116.54 1sfc h LYS 85 Ca -0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1sfc h LYS 85 Cb 0.60 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 1sfc h LYS 85 CO 0.00 0.24 -0.27 -0.09 -2.00 0.00 0.00 179.45 177.33 1sfc h ARG 86 N 0.00 -0.52 -0.24 0.07 9.65 -1.15 0.73 114.38 122.92 1sfc h ARG 86 Ca -0.00 0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.71 1sfc h ARG 86 Cb 0.60 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 1sfc h ARG 86 CO 0.03 -0.35 -0.64 1.57 2.80 0.00 0.00 179.97 183.38 1sfc h LYS 87 N -0.54 0.85 0.00 0.20 2.10 -1.23 -2.95 116.57 114.99 1sfc h LYS 87 Ca 0.00 -0.60 -0.00 0.00 -2.00 0.00 0.00 60.65 58.05 1sfc h LYS 87 Cb 0.52 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1sfc h LYS 87 CO -0.08 1.22 -0.01 1.88 -2.00 0.00 0.00 179.45 180.46 1sfc h TYR 88 N 0.62 0.00 0.00 0.07 -1.99 -1.20 -0.74 116.97 113.73 1sfc h TYR 88 Ca -0.01 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.61 1sfc h TYR 88 Cb 1.26 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.97 1sfc h TYR 88 CO 0.08 0.01 -0.50 2.35 -0.00 0.00 0.00 178.16 180.09 1sfc h TRP 89 N 0.00 0.00 0.15 4.88 2.91 -0.67 -2.91 115.95 120.32 1sfc h TRP 89 Ca -0.00 0.00 -0.35 0.00 1.13 0.00 0.00 58.89 59.67 1sfc h TRP 89 Cb 0.31 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.95 1sfc h TRP 89 CO 0.00 0.50 -1.85 -1.49 -1.03 0.00 0.00 178.44 174.57 1sfc h TRP 90 N 0.00 0.59 -0.16 2.65 4.06 -1.20 -3.36 115.95 118.52 1sfc h TRP 90 Ca -0.01 -0.43 0.05 0.00 2.06 0.00 0.00 58.89 60.57 1sfc h TRP 90 Cb 1.01 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 29.09 1sfc h TRP 90 CO 0.00 1.73 -0.24 0.87 -3.56 0.00 0.00 178.44 177.24 1sfc h LYS 91 N 0.06 -0.28 -2.74 0.49 1.57 -1.29 -2.15 116.57 112.23 1sfc h LYS 91 Ca -0.38 0.02 -0.75 0.00 -1.87 0.00 0.00 60.65 57.66 1sfc h LYS 91 Cb 2.04 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 34.27 1sfc h LYS 91 CO 0.12 -0.18 2.15 0.09 -0.57 0.00 0.00 179.45 181.06 1sfc n ASN 92 N -5.37 7.41 0.00 0.86 3.02 -1.10 -3.88 115.26 116.20 1sfc n ASN 92 Ca -0.02 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.32 1sfc n ASN 92 Cb 0.28 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 1sfc n ASN 92 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1sfc n LEU 93 N 1.90 0.00 0.00 3.41 7.94 -0.83 -4.94 117.00 124.48 1sfc n LEU 93 Ca 0.56 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 1sfc n LEU 93 Cb 0.27 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.22 1sfc n LEU 93 CO 0.69 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 178.14