#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwk n SER 2 N 0.00 -0.54 -3.08 6.12 3.41 -1.26 -5.07 113.62 113.20 1pwk n SER 2 Ca 0.00 -1.42 -0.16 0.00 -0.26 0.00 0.00 58.87 57.03 1pwk n SER 2 Cb 0.00 0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 1pwk n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pwk n ASP 3 N -0.49 -1.88 -3.11 4.04 2.03 -1.26 -5.02 116.55 110.86 1pwk n ASP 3 Ca -0.07 -2.66 -0.30 0.00 0.52 0.00 0.00 54.79 52.28 1pwk n ASP 3 Cb 0.62 0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 41.55 1pwk n ASP 3 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1pwk n ARG 4 N 2.80 3.57 -3.28 -0.67 1.85 -1.26 -4.93 116.66 114.73 1pwk n ARG 4 Ca 0.24 -4.82 -0.21 0.00 -1.00 0.00 0.00 57.85 52.06 1pwk n ARG 4 Cb 0.52 -2.28 0.02 0.00 -1.05 0.00 0.00 32.46 29.67 1pwk n ARG 4 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1pwk n LYS 5 N -0.11 -1.92 0.00 2.89 3.00 -1.26 -4.99 118.16 115.78 1pwk n LYS 5 Ca 0.33 1.55 0.00 0.00 -0.00 0.00 0.00 58.31 60.19 1pwk n LYS 5 Cb 0.37 -3.80 0.00 0.00 0.00 0.00 0.00 35.03 31.60 1pwk n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pwk n ALA 6 N -0.88 0.00 -3.81 3.14 0.00 -1.26 -4.65 120.51 113.05 1pwk n ALA 6 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1pwk n ALA 6 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 1pwk n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pwk s VAL 7 N 0.00 1.96 0.41 0.00 1.01 0.02 -4.95 120.40 118.85 1pwk s VAL 7 Ca 0.00 -2.99 -0.27 0.00 0.00 0.00 0.00 61.98 58.72 1pwk s VAL 7 Cb 0.00 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.93 1pwk s VAL 7 CO 0.00 -0.87 1.42 -0.63 0.00 0.00 0.00 175.10 175.02 1pwk s ILE 8 N -0.04 2.20 0.00 2.22 -1.09 -1.26 -1.62 121.20 121.60 1pwk s ILE 8 Ca 0.18 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1pwk s ILE 8 Cb -0.23 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 1pwk s ILE 8 CO -0.02 0.04 0.00 1.17 -1.23 0.00 0.00 174.94 174.90 1pwk n LYS 9 N 0.17 0.00 -3.64 2.79 4.81 -0.90 -4.87 118.16 116.53 1pwk n LYS 9 Ca 0.03 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.39 1pwk n LYS 9 Cb 0.41 -0.38 -0.07 0.00 0.02 0.00 0.00 35.03 35.01 1pwk n LYS 9 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1pwk s ASN 10 N -3.66 -0.85 -0.05 3.14 2.47 -1.14 -5.06 114.94 109.78 1pwk s ASN 10 Ca 0.00 1.41 -0.09 0.00 0.42 0.00 0.00 52.86 54.60 1pwk s ASN 10 Cb 0.00 1.37 0.02 0.00 -1.45 0.00 0.00 41.25 41.18 1pwk s ASN 10 CO 0.00 -0.23 0.22 0.00 -3.72 0.00 0.00 177.10 173.37 1pwk s ALA 11 N 1.37 -0.54 -0.55 1.71 0.00 -1.26 -2.32 121.76 120.16 1pwk s ALA 11 Ca -0.08 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.35 1pwk s ALA 11 Cb -0.05 -0.19 0.20 0.00 0.00 0.00 0.00 23.12 23.08 1pwk s ALA 11 CO -0.16 -0.16 0.51 -0.25 0.00 0.00 0.00 175.76 175.71 1pwk n ASP 12 N 2.34 1.67 -2.56 0.00 8.00 -0.97 -4.86 116.55 120.17 1pwk n ASP 12 Ca -0.16 -2.93 -0.02 0.00 0.71 0.00 0.00 54.79 52.39 1pwk n ASP 12 Cb 0.57 -0.66 0.09 0.00 -0.02 0.00 0.00 41.12 41.10 1pwk n ASP 12 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 1pwk n MET 13 N 1.87 1.32 0.00 -1.24 0.00 -1.26 -4.33 117.12 113.48 1pwk n MET 13 Ca 0.25 -1.82 0.00 0.00 0.00 0.00 0.00 57.70 56.13 1pwk n MET 13 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 33.22 33.54 1pwk n MET 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1pwk n SER 14 N -1.13 0.00 0.00 3.17 2.88 -1.26 -3.92 113.62 113.36 1pwk n SER 14 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1pwk n SER 14 Cb 0.85 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1pwk n SER 14 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pwk n GLU 15 N -1.93 0.00 0.29 -1.46 1.02 -1.26 -4.80 120.64 112.50 1pwk n GLU 15 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1pwk n GLU 15 Cb 0.00 -0.96 0.89 0.00 -0.02 0.00 0.00 31.44 31.36 1pwk n GLU 15 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1pwk h ASP 16 N 0.00 0.00 0.51 1.62 2.03 -2.01 -0.41 116.42 118.17 1pwk h ASP 16 Ca 0.00 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.01 1pwk h ASP 16 Cb 0.00 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 1pwk h ASP 16 CO 0.00 0.04 -1.62 0.24 -1.03 0.00 0.00 179.24 176.87 1pwk h MET 17 N 0.00 0.06 0.00 4.15 2.86 -1.87 -2.47 114.93 117.66 1pwk h MET 17 Ca -0.00 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1pwk h MET 17 Cb 0.13 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1pwk h MET 17 CO 0.01 0.73 -0.07 1.96 1.06 0.00 0.00 176.91 180.60 1pwk h GLN 18 N 0.02 0.00 0.00 1.72 4.20 -1.44 1.77 115.11 121.38 1pwk h GLN 18 Ca -0.26 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 1pwk h GLN 18 Cb 1.98 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.76 1pwk h GLN 18 CO 0.10 0.07 -0.18 1.96 -0.67 0.00 0.00 178.83 180.11 1pwk h GLN 19 N 0.00 0.00 0.00 1.46 1.08 -1.24 -2.45 115.11 113.96 1pwk h GLN 19 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pwk h GLN 19 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1pwk h GLN 19 CO 0.01 0.60 0.00 -0.44 -0.95 0.00 0.00 178.83 178.05 1pwk h ASP 20 N -1.00 0.00 0.01 1.46 3.32 -1.05 -1.81 116.42 117.35 1pwk h ASP 20 Ca -0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1pwk h ASP 20 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1pwk h ASP 20 CO -0.02 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 177.41 1pwk h ALA 21 N 2.08 -0.00 0.00 3.45 0.00 0.26 0.67 119.26 125.72 1pwk h ALA 21 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1pwk h ALA 21 Cb 0.31 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pwk h ALA 21 CO 0.00 0.01 -0.07 0.28 0.00 0.00 0.00 179.25 179.47 1pwk h VAL 22 N -0.85 0.98 0.15 0.00 2.07 -1.10 1.04 116.25 118.54 1pwk h VAL 22 Ca -0.01 -0.25 -0.31 0.00 0.82 0.00 0.00 66.70 66.94 1pwk h VAL 22 Cb 1.00 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1pwk h VAL 22 CO 0.02 0.07 -1.59 0.44 0.02 0.00 0.00 177.57 176.52 1pwk h ASP 23 N 0.00 0.49 0.64 0.57 5.19 -1.37 -0.98 116.42 120.97 1pwk h ASP 23 Ca -0.00 -0.90 0.00 0.00 -0.62 0.00 0.00 57.03 55.51 1pwk h ASP 23 Cb 0.13 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1pwk h ASP 23 CO 0.01 1.71 0.00 0.00 -3.12 0.00 0.00 179.24 177.84 1pwk h ALA 25 N 2.16 0.48 -0.31 0.00 0.00 0.11 -1.43 119.26 120.26 1pwk h ALA 25 Ca 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 54.91 53.39 1pwk h ALA 25 Cb 0.32 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1pwk h ALA 25 CO 0.00 1.34 -0.36 1.15 0.00 0.00 0.00 179.25 181.39 1pwk h THR 26 N 0.06 1.29 -0.14 0.00 2.02 -0.46 0.99 112.91 116.67 1pwk h THR 26 Ca -0.38 -1.53 -0.23 0.00 0.77 0.00 0.00 66.41 65.04 1pwk h THR 26 Cb 2.04 1.54 0.01 0.00 -1.74 0.00 0.00 68.15 70.00 1pwk h THR 26 CO 0.10 0.50 -0.81 1.56 0.37 0.00 0.00 175.52 177.24 1pwk h GLN 27 N 0.57 0.80 -0.05 6.66 4.20 -0.51 -1.21 115.11 125.56 1pwk h GLN 27 Ca 0.04 -0.67 -0.04 0.00 0.06 0.00 0.00 58.65 58.05 1pwk h GLN 27 Cb 0.94 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1pwk h GLN 27 CO 0.09 1.27 -0.14 0.00 -0.67 0.00 0.00 178.83 179.38 1pwk h ALA 28 N 0.54 1.68 0.01 3.87 0.00 -1.19 0.98 119.26 125.16 1pwk h ALA 28 Ca -0.06 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 1pwk h ALA 28 Cb 1.44 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1pwk h ALA 28 CO 0.17 0.24 -0.92 1.98 0.00 0.00 0.00 179.25 180.71 1pwk h MET 29 N 0.07 0.03 0.21 0.00 1.85 -0.60 0.64 114.93 117.14 1pwk h MET 29 Ca 0.01 -0.04 -0.33 0.00 -0.61 0.00 0.00 59.70 58.73 1pwk h MET 29 Cb 0.29 0.01 0.02 0.00 0.43 0.00 0.00 31.60 32.36 1pwk h MET 29 CO 0.02 0.93 -1.54 0.93 -0.40 0.00 0.00 176.91 176.85 1pwk h GLU 30 N 0.01 0.45 0.02 0.39 4.39 -0.27 -3.33 114.58 116.25 1pwk h GLU 30 Ca -0.02 -0.77 -0.20 0.00 0.34 0.00 0.00 59.36 58.70 1pwk h GLU 30 Cb 1.62 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 30.54 1pwk h GLU 30 CO 0.12 1.37 -0.94 0.87 -1.16 0.00 0.00 179.01 179.27 1pwk h LYS 31 N 0.06 0.10 -4.22 2.33 1.79 0.90 -3.44 116.57 114.10 1pwk h LYS 31 Ca -0.29 -0.14 -0.39 0.00 -2.18 0.00 0.00 60.65 57.66 1pwk h LYS 31 Cb 2.08 0.04 -0.32 0.00 -1.58 0.00 0.00 32.23 32.46 1pwk h LYS 31 CO 0.22 0.97 -0.77 0.71 -1.08 0.00 0.00 179.45 179.49 1pwk s TYR 32 N -2.99 0.70 -0.99 -1.35 2.02 0.22 -5.02 117.35 109.95 1pwk s TYR 32 Ca -0.01 -0.17 0.13 0.00 -0.37 0.00 0.00 57.07 56.65 1pwk s TYR 32 Cb 0.10 -0.56 0.39 0.00 -0.40 0.00 0.00 41.96 41.49 1pwk s TYR 32 CO 0.82 -0.12 1.33 0.09 -1.57 0.00 0.00 175.55 176.10 1pwk n ASN 33 N 3.59 3.25 -1.43 2.29 5.03 -1.25 -3.29 115.26 123.45 1pwk n ASN 33 Ca -0.21 -2.12 0.00 0.00 0.87 0.00 0.00 54.58 53.12 1pwk n ASN 33 Cb 0.53 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 1pwk n ASN 33 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1pwk n ILE 34 N 0.59 0.00 0.00 2.41 5.41 -1.26 -5.06 119.36 121.45 1pwk n ILE 34 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.90 1pwk n ILE 34 Cb 0.52 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 1pwk n ILE 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1pwk n GLU 35 N -0.23 1.72 0.07 0.38 0.28 -1.26 -4.43 120.64 117.17 1pwk n GLU 35 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 1pwk n GLU 35 Cb 0.00 -0.90 -0.05 0.00 1.43 0.00 0.00 31.44 31.92 1pwk n GLU 35 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1pwk n LYS 36 N -1.32 0.62 0.01 3.44 4.81 -1.26 -3.30 118.16 121.16 1pwk n LYS 36 Ca 0.00 0.05 -0.03 0.00 -0.87 0.00 0.00 58.31 57.46 1pwk n LYS 36 Cb 0.10 -1.74 -0.10 0.00 0.02 0.00 0.00 35.03 33.30 1pwk n LYS 36 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1pwk n ASP 37 N -2.59 0.83 0.02 3.14 8.00 -1.26 -1.29 116.55 123.40 1pwk n ASP 37 Ca -0.02 0.37 -0.10 0.00 0.71 0.00 0.00 54.79 55.76 1pwk n ASP 37 Cb 0.58 0.14 0.05 0.00 -0.02 0.00 0.00 41.12 41.87 1pwk n ASP 37 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1pwk h ILE 38 N 0.00 1.34 0.00 0.53 1.08 -1.78 1.06 117.51 119.74 1pwk h ILE 38 Ca -0.21 -1.92 -0.21 0.00 -0.39 0.00 0.00 64.86 62.13 1pwk h ILE 38 Cb 1.72 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 37.35 1pwk h ILE 38 CO 0.05 0.59 -1.06 0.00 -0.69 0.00 0.00 178.15 177.04 1pwk h ALA 39 N 0.95 0.48 0.00 1.87 0.00 -1.65 -2.04 119.26 118.88 1pwk h ALA 39 Ca -0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 1pwk h ALA 39 Cb 1.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1pwk h ALA 39 CO 0.11 1.20 -0.35 0.00 0.00 0.00 0.00 179.25 180.21 1pwk h ALA 40 N 1.09 0.83 0.06 0.00 0.00 -1.00 -1.43 119.26 118.81 1pwk h ALA 40 Ca -0.06 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.46 1pwk h ALA 40 Cb 1.75 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1pwk h ALA 40 CO 0.11 0.13 -1.56 -0.92 0.00 0.00 0.00 179.25 177.01 1pwk h TYR 41 N 0.00 0.22 0.00 0.00 5.03 0.12 -1.55 116.97 120.78 1pwk h TYR 41 Ca -0.01 -0.16 -0.20 0.00 2.58 0.00 0.00 58.73 60.94 1pwk h TYR 41 Cb 1.08 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.32 1pwk h TYR 41 CO 0.00 1.22 -1.14 0.82 -1.32 0.00 0.00 178.16 177.75 1pwk h ILE 42 N 0.03 1.17 0.06 1.81 2.04 -1.43 -1.51 117.51 119.68 1pwk h ILE 42 Ca -0.24 -2.82 -0.26 0.00 1.00 0.00 0.00 64.86 62.54 1pwk h ILE 42 Cb 1.98 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 40.58 1pwk h ILE 42 CO 0.12 0.67 -1.32 0.07 0.00 0.00 0.00 178.15 177.69 1pwk h LYS 43 N 0.00 0.12 -0.00 2.37 2.10 -1.37 -2.61 116.57 117.17 1pwk h LYS 43 Ca -0.10 -0.20 -0.17 0.00 -2.00 0.00 0.00 60.65 58.17 1pwk h LYS 43 Cb 1.73 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 33.12 1pwk h LYS 43 CO 0.09 0.99 -0.81 1.57 -2.00 0.00 0.00 179.45 179.29 1pwk h LYS 44 N 0.03 0.07 0.09 0.07 2.10 -1.34 0.11 116.57 117.70 1pwk h LYS 44 Ca -0.15 -0.07 -0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1pwk h LYS 44 Cb 1.92 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.27 1pwk h LYS 44 CO 0.14 0.84 -0.04 0.93 -2.00 0.00 0.00 179.45 179.32 1pwk h GLU 45 N 0.04 -0.12 -0.12 0.07 4.39 -1.30 -2.48 114.58 115.06 1pwk h GLU 45 Ca -0.02 0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.50 1pwk h GLU 45 Cb 1.42 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1pwk h GLU 45 CO 0.11 0.23 -0.70 0.74 -1.16 0.00 0.00 179.01 178.24 1pwk h PHE 46 N -0.49 0.71 -0.01 4.33 -1.00 -1.51 -2.87 116.94 116.10 1pwk h PHE 46 Ca -0.01 -0.30 0.03 0.00 2.81 0.00 0.00 57.97 60.50 1pwk h PHE 46 Cb 0.41 -0.12 -0.05 0.00 3.61 0.00 0.00 35.95 39.80 1pwk h PHE 46 CO 0.04 1.07 -0.34 0.22 -1.61 0.00 0.00 178.31 177.70 1pwk h ASP 47 N 0.38 -1.02 -0.41 2.17 3.58 -0.80 0.26 116.42 120.58 1pwk h ASP 47 Ca -0.03 0.13 -0.14 0.00 0.42 0.00 0.00 57.03 57.42 1pwk h ASP 47 Cb 1.28 0.41 -0.08 0.00 1.72 0.00 0.00 39.33 42.66 1pwk h ASP 47 CO 0.13 -0.40 0.17 1.17 -2.88 0.00 0.00 179.24 177.43 1pwk n LYS 48 N -5.42 2.37 -0.65 0.28 4.81 -0.94 -3.06 118.16 115.55 1pwk n LYS 48 Ca -0.05 -1.63 -0.01 0.00 -0.87 0.00 0.00 58.31 55.76 1pwk n LYS 48 Cb 0.34 -1.77 -0.01 0.00 0.02 0.00 0.00 35.03 33.61 1pwk n LYS 48 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pwk n LYS 49 N -0.01 0.00 0.00 1.64 5.02 -0.55 -4.96 118.16 119.29 1pwk n LYS 49 Ca 0.23 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 1pwk n LYS 49 Cb 0.94 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.89 1pwk n LYS 49 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1pwk n TYR 50 N 0.04 -0.08 0.00 2.13 9.36 -0.03 -4.90 117.16 123.67 1pwk n TYR 50 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1pwk n TYR 50 Cb 0.63 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 39.36 1pwk n TYR 50 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1pwk n ASN 51 N -1.10 0.00 -4.86 2.98 2.04 -1.10 -5.05 115.26 108.17 1pwk n ASN 51 Ca 0.00 0.00 -0.33 0.00 -0.44 0.00 0.00 54.58 53.81 1pwk n ASN 51 Cb 0.00 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.19 1pwk n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1pwk s PRO 52 N -2.29 3.93 0.00 -0.53 0.04 -1.23 -3.79 135.00 131.13 1pwk s PRO 52 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1pwk s PRO 52 Cb 0.00 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1pwk s PRO 52 CO 0.00 0.28 0.62 2.41 0.04 0.00 0.00 177.00 180.35 1pwk n THR 53 N -0.04 0.32 -1.24 1.26 -1.04 -1.25 -4.59 114.28 107.69 1pwk n THR 53 Ca 0.01 -0.34 0.09 0.00 -2.04 0.00 0.00 64.05 61.76 1pwk n THR 53 Cb 0.52 0.92 -0.05 0.00 -1.82 0.00 0.00 70.33 69.91 1pwk n THR 53 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1pwk n TRP 54 N -0.16 -2.80 -2.64 -1.42 7.02 -1.26 -4.60 117.44 111.58 1pwk n TRP 54 Ca 0.00 1.54 -0.11 0.00 -1.02 0.00 0.00 57.50 57.91 1pwk n TRP 54 Cb 0.38 -2.49 0.03 0.00 -2.42 0.00 0.00 31.31 26.81 1pwk n TRP 54 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1pwk n HIS 55 N -3.54 1.57 -1.58 -5.99 8.25 0.40 -4.92 115.22 109.42 1pwk n HIS 55 Ca -0.05 -2.71 -0.45 0.00 -0.26 0.00 0.00 57.72 54.25 1pwk n HIS 55 Cb 0.44 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1pwk n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pwk s ILE 57 N -1.04 1.00 0.02 0.00 1.01 0.11 -4.64 121.20 117.67 1pwk s ILE 57 Ca 0.59 -2.03 0.01 0.00 0.00 0.00 0.00 60.65 59.22 1pwk s ILE 57 Cb -0.71 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1pwk s ILE 57 CO 0.60 -0.44 -0.05 -0.69 0.00 0.00 0.00 174.94 174.36 1pwk s VAL 58 N -3.44 0.30 0.00 2.92 1.01 -1.26 -0.30 120.40 119.63 1pwk s VAL 58 Ca 0.25 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1pwk s VAL 58 Cb 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1pwk s VAL 58 CO 0.06 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1pwk n GLY 59 N 1.94 0.70 0.00 4.51 0.00 0.12 -4.95 105.19 107.50 1pwk n GLY 59 Ca -0.20 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1pwk n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwk n ARG 60 N 0.00 0.00 -2.74 1.61 1.74 -1.26 -1.48 116.66 114.53 1pwk n ARG 60 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1pwk n ARG 60 Cb 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.53 1pwk n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pwk n SER 61 N -1.00 0.01 0.00 0.55 2.88 -1.26 -3.62 113.62 111.18 1pwk n SER 61 Ca 0.00 -2.23 0.00 0.00 -1.33 0.00 0.00 58.87 55.31 1pwk n SER 61 Cb 0.00 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1pwk n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pwk n GLY 62 N -0.89 -0.85 0.00 0.46 0.00 -1.26 -4.97 105.19 97.69 1pwk n GLY 62 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1pwk n GLY 62 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pwk n ASN 63 N -1.79 0.00 -2.75 1.61 2.04 -1.26 -5.06 115.26 108.06 1pwk n ASN 63 Ca 0.00 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 54.01 1pwk n ASN 63 Cb 0.00 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.26 1pwk n ASN 63 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1pwk n PHE 64 N 0.00 1.34 0.00 -2.53 1.16 -1.26 -4.84 117.46 111.34 1pwk n PHE 64 Ca 0.00 -3.06 0.00 0.00 -1.87 0.00 0.00 57.45 52.52 1pwk n PHE 64 Cb 0.00 -0.35 0.00 0.00 -1.61 0.00 0.00 39.48 37.52 1pwk n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pwk n GLY 65 N -0.05 0.00 1.92 4.97 0.00 -1.26 -4.68 105.19 106.09 1pwk n GLY 65 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1pwk n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pwk n SER 66 N -1.98 3.96 0.00 1.61 3.41 -1.26 -4.18 113.62 115.18 1pwk n SER 66 Ca 0.00 -3.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 1pwk n SER 66 Cb 0.43 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1pwk n SER 66 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1pwk n TYR 67 N -0.76 0.00 0.27 7.33 4.01 -1.26 -4.81 117.16 121.94 1pwk n TYR 67 Ca 0.47 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 58.36 1pwk n TYR 67 Cb 1.44 0.00 0.87 0.00 -0.31 0.00 0.00 39.34 41.34 1pwk n TYR 67 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1pwk h VAL 68 N 0.40 0.55 0.08 -0.72 2.07 -1.84 -3.05 116.25 113.74 1pwk h VAL 68 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1pwk h VAL 68 Cb 0.20 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1pwk h VAL 68 CO 0.00 0.00 -0.04 0.74 0.02 0.00 0.00 177.57 178.29 1pwk h THR 69 N 0.00 0.00 -3.12 2.57 2.02 -1.88 -3.43 112.91 109.06 1pwk h THR 69 Ca 0.02 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1pwk h THR 69 Cb 0.13 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1pwk h THR 69 CO -0.00 0.00 -0.03 1.57 0.37 0.00 0.00 175.52 177.43 1pwk n HIS 70 N -2.28 -1.34 -3.04 3.16 -0.00 -1.15 0.11 115.22 110.67 1pwk n HIS 70 Ca -0.01 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.04 1pwk n HIS 70 Cb 0.04 -1.17 0.06 0.00 -0.12 0.00 0.00 29.99 28.80 1pwk n HIS 70 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1pwk n GLU 71 N -1.67 -4.78 0.07 1.57 -0.58 -1.26 -4.96 120.64 109.02 1pwk n GLU 71 Ca -0.01 0.60 -0.22 0.00 -0.42 0.00 0.00 57.16 57.10 1pwk n GLU 71 Cb 0.23 -4.88 -0.15 0.00 -0.57 0.00 0.00 31.44 26.08 1pwk n GLU 71 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1pwk h THR 72 N -1.40 0.92 -0.52 2.62 2.02 0.46 -3.46 112.91 113.55 1pwk h THR 72 Ca -0.41 -2.52 -0.21 0.00 0.77 0.00 0.00 66.41 64.04 1pwk h THR 72 Cb 1.24 2.74 -0.08 0.00 -1.74 0.00 0.00 68.15 70.31 1pwk h THR 72 CO 0.36 0.86 -0.19 0.29 0.37 0.00 0.00 175.52 177.20 1pwk n LYS 73 N -3.57 -0.72 0.00 6.66 4.76 -1.26 -4.33 118.16 119.70 1pwk n LYS 73 Ca -0.25 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1pwk n LYS 73 Cb 1.07 -4.80 0.00 0.00 -1.84 0.00 0.00 35.03 29.47 1pwk n LYS 73 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1pwk n HIS 74 N -2.73 0.00 -3.77 2.13 -0.00 -1.26 -5.07 115.22 104.52 1pwk n HIS 74 Ca -0.10 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.99 1pwk n HIS 74 Cb 0.35 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.21 1pwk n HIS 74 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1pwk n PHE 75 N 0.00 -1.52 -3.50 1.57 1.16 -1.26 -1.96 117.46 111.95 1pwk n PHE 75 Ca 0.00 -1.54 -0.13 0.00 -1.87 0.00 0.00 57.45 53.91 1pwk n PHE 75 Cb 0.00 0.51 -0.04 0.00 -1.61 0.00 0.00 39.48 38.34 1pwk n PHE 75 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1pwk s ILE 76 N -2.56 0.01 -0.22 1.97 2.07 0.57 -2.30 121.20 120.75 1pwk s ILE 76 Ca 0.17 -0.12 -0.05 0.00 -1.41 0.00 0.00 60.65 59.24 1pwk s ILE 76 Cb -0.02 -1.01 0.11 0.00 0.13 0.00 0.00 42.46 41.67 1pwk s ILE 76 CO 0.12 -0.06 0.40 -0.47 -1.91 0.00 0.00 174.94 173.01 1pwk s TYR 77 N -2.94 -0.81 0.04 3.50 5.04 -0.98 -1.83 117.35 119.38 1pwk s TYR 77 Ca -0.03 1.21 0.03 0.00 -2.44 0.00 0.00 57.07 55.85 1pwk s TYR 77 Cb -0.00 0.17 -0.02 0.00 0.35 0.00 0.00 41.96 42.45 1pwk s TYR 77 CO -0.06 -0.58 -0.10 -0.59 -1.34 0.00 0.00 175.55 172.88 1pwk s PHE 78 N 2.58 0.90 0.12 4.97 -0.12 -0.75 -2.11 117.98 123.57 1pwk s PHE 78 Ca 0.05 -0.42 0.04 0.00 -0.05 0.00 0.00 56.93 56.55 1pwk s PHE 78 Cb -0.14 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.69 1pwk s PHE 78 CO -0.14 -0.02 0.14 0.71 -0.05 0.00 0.00 175.22 175.87 1pwk s TYR 79 N -1.13 3.24 -0.47 3.49 2.02 -0.64 -1.30 117.35 122.56 1pwk s TYR 79 Ca -0.04 0.06 0.04 0.00 -0.37 0.00 0.00 57.07 56.75 1pwk s TYR 79 Cb -0.09 -1.59 0.16 0.00 -0.40 0.00 0.00 41.96 40.04 1pwk s TYR 79 CO 0.01 0.53 0.35 -0.51 -1.57 0.00 0.00 175.55 174.35 1pwk s LEU 80 N -2.82 2.15 0.00 -1.29 1.43 0.77 -0.80 118.68 118.12 1pwk s LEU 80 Ca 0.31 -3.09 0.00 0.00 -1.03 0.00 0.00 54.13 50.32 1pwk s LEU 80 Cb -0.11 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1pwk s LEU 80 CO 0.24 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1pwk n GLY 81 N 2.86 1.60 0.00 -3.19 0.00 -1.26 -1.54 105.19 103.66 1pwk n GLY 81 Ca 0.24 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1pwk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwk n GLN 82 N 0.00 -0.20 -3.76 1.61 10.64 -1.26 -4.98 117.38 119.43 1pwk n GLN 82 Ca 0.00 -0.34 -0.30 0.00 -1.83 0.00 0.00 57.00 54.53 1pwk n GLN 82 Cb 0.00 -0.83 -0.04 0.00 -0.86 0.00 0.00 30.24 28.51 1pwk n GLN 82 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1pwk s VAL 83 N -0.07 5.24 -0.16 -0.39 1.01 -0.59 -4.31 120.40 121.14 1pwk s VAL 83 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1pwk s VAL 83 Cb 0.00 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1pwk s VAL 83 CO 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 175.10 175.05 1pwk s ALA 84 N -1.71 1.26 0.05 5.51 0.00 -0.55 -0.16 121.76 126.15 1pwk s ALA 84 Ca 0.38 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1pwk s ALA 84 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1pwk s ALA 84 CO 0.27 -0.82 -0.07 0.42 0.00 0.00 0.00 175.76 175.56 1pwk s ILE 85 N 1.73 3.57 0.27 0.00 1.01 -0.42 0.10 121.20 127.47 1pwk s ILE 85 Ca 0.01 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.76 1pwk s ILE 85 Cb -0.15 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 1pwk s ILE 85 CO -0.07 0.27 -0.07 -0.76 0.00 0.00 0.00 174.94 174.30 1pwk s LEU 86 N -1.78 2.49 -0.30 2.97 1.43 0.59 -1.82 118.68 122.28 1pwk s LEU 86 Ca 0.19 -1.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 1pwk s LEU 86 Cb -0.11 -0.65 0.19 0.00 0.03 0.00 0.00 46.19 45.64 1pwk s LEU 86 CO 0.11 -0.31 0.86 -0.22 0.23 0.00 0.00 176.35 177.02 1pwk s LEU 87 N -3.43 -0.87 0.06 1.79 0.20 -0.76 0.10 118.68 115.77 1pwk s LEU 87 Ca 0.29 0.32 -0.01 0.00 0.69 0.00 0.00 54.13 55.42 1pwk s LEU 87 Cb 0.03 1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 47.39 1pwk s LEU 87 CO 0.11 -0.16 -0.03 0.72 -0.29 0.00 0.00 176.35 176.70 1pwk s PHE 88 N 2.91 0.58 -0.22 5.38 -0.12 -1.26 -0.32 117.98 124.93 1pwk s PHE 88 Ca 0.13 -1.07 -0.04 0.00 -0.05 0.00 0.00 56.93 55.90 1pwk s PHE 88 Cb -0.09 -0.41 0.08 0.00 -0.63 0.00 0.00 43.02 41.97 1pwk s PHE 88 CO -0.19 -0.37 0.10 0.21 -0.05 0.00 0.00 175.22 174.92 1pwk s LYS 89 N -3.92 0.21 -0.21 1.99 2.36 -0.83 0.15 119.74 119.49 1pwk s LYS 89 Ca 0.09 -0.34 0.02 0.00 -2.55 0.00 0.00 55.97 53.19 1pwk s LYS 89 Cb 0.08 -1.62 0.33 0.00 -1.05 0.00 0.00 37.83 35.56 1pwk s LYS 89 CO -0.09 -0.81 1.43 0.43 1.55 0.00 0.00 175.35 177.86 1pwk n SER 90 N 5.22 3.36 0.00 1.43 7.64 -1.26 -4.53 113.62 125.48 1pwk n SER 90 Ca -0.07 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1pwk n SER 90 Cb 0.46 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1pwk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64