#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dim h SER 2 N 0.00 -1.54 -2.05 1.61 0.87 -2.05 -3.37 113.55 107.01 2dim h SER 2 Ca 0.00 0.24 -0.59 0.00 -1.23 0.00 0.00 61.79 60.21 2dim h SER 2 Cb 0.00 0.68 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2dim h SER 2 CO 0.00 -0.36 1.47 -0.55 -0.53 0.00 0.00 176.83 176.87 2dim s SER 3 N -5.11 5.49 0.00 6.23 0.15 -1.26 -4.52 113.70 114.67 2dim s SER 3 Ca -0.14 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.35 2dim s SER 3 Cb 0.12 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2dim s SER 3 CO 0.65 -1.94 0.00 0.61 1.20 0.00 0.00 173.24 173.76 2dim n GLY 4 N 5.73 -0.15 3.88 9.45 0.00 -1.26 -5.16 105.19 117.67 2dim n GLY 4 Ca 0.29 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 2dim n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dim s SER 5 N 0.00 6.59 0.00 1.61 1.04 -1.26 -4.99 113.70 116.68 2dim s SER 5 Ca 0.00 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2dim s SER 5 Cb 0.00 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2dim s SER 5 CO 0.00 0.06 0.00 -1.54 0.98 0.00 0.00 173.24 172.74 2dim n SER 6 N 0.31 4.26 -4.10 7.02 3.41 -1.26 -5.10 113.62 118.17 2dim n SER 6 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.47 2dim n SER 6 Cb 0.52 0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 64.72 2dim n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dim s GLY 7 N -3.04 0.93 0.43 5.00 0.00 -1.26 -5.14 107.32 104.24 2dim s GLY 7 Ca 0.00 -1.34 -0.26 0.00 0.00 0.00 0.00 44.72 43.13 2dim s GLY 7 CO 0.00 -1.20 1.32 0.28 0.00 0.00 0.00 173.10 173.50 2dim n LYS 8 N -0.18 2.04 0.00 2.90 4.76 -1.26 -4.87 118.16 121.55 2dim n LYS 8 Ca -0.04 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2dim n LYS 8 Cb 0.64 -2.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.37 2dim n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dim n GLY 9 N 0.74 1.56 3.53 0.72 0.00 -1.26 -5.02 105.19 105.46 2dim n GLY 9 Ca 0.06 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2dim n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dim n GLY 10 N 0.00 -0.32 2.37 -0.02 0.00 -1.26 -4.82 105.19 101.14 2dim n GLY 10 Ca 0.00 0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 2dim n GLY 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2dim n VAL 11 N 7.12 0.00 -4.38 1.61 3.14 -1.26 -4.98 118.33 119.58 2dim n VAL 11 Ca 0.58 -0.37 -0.20 0.00 -2.96 0.00 0.00 64.34 61.38 2dim n VAL 11 Cb 0.27 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.95 2dim n VAL 11 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 2dim s TRP 12 N -1.48 1.90 0.24 1.45 0.52 -1.26 -5.15 118.94 115.16 2dim s TRP 12 Ca 0.39 -0.49 0.12 0.00 0.02 0.00 0.00 56.10 56.14 2dim s TRP 12 Cb -0.31 -0.87 -0.05 0.00 -1.15 0.00 0.00 33.47 31.09 2dim s TRP 12 CO 0.52 0.47 -0.21 1.03 0.02 0.00 0.00 176.95 178.78 2dim s ARG 13 N -3.53 1.64 0.28 4.98 0.52 -1.26 -5.00 118.95 116.58 2dim s ARG 13 Ca 0.24 -1.64 -0.03 0.00 -0.52 0.00 0.00 55.73 53.78 2dim s ARG 13 Cb -0.03 -1.82 0.59 0.00 0.52 0.00 0.00 34.95 34.21 2dim s ARG 13 CO 0.09 0.36 1.61 -2.95 0.02 0.00 0.00 175.30 174.43 2dim h ASN 14 N 2.66 -0.40 0.85 0.23 -1.07 -2.01 -0.04 115.58 115.80 2dim h ASN 14 Ca -0.43 0.24 -0.04 0.00 0.07 0.00 0.00 56.30 56.14 2dim h ASN 14 Cb 1.24 0.41 0.01 0.00 -2.07 0.00 0.00 38.32 37.91 2dim h ASN 14 CO 0.55 -0.26 -0.41 0.71 0.07 0.00 0.00 177.43 178.09 2dim h THR 15 N 0.07 0.02 -0.91 6.14 1.35 -1.99 -0.46 112.91 117.13 2dim h THR 15 Ca 0.51 -0.16 0.26 0.00 -0.55 0.00 0.00 66.41 66.47 2dim h THR 15 Cb 0.96 0.02 -0.15 0.00 -1.73 0.00 0.00 68.15 67.25 2dim h THR 15 CO -0.79 0.00 0.24 -0.33 -0.25 0.00 0.00 175.52 174.39 2dim h GLU 16 N -1.30 0.16 -0.08 4.72 4.39 -1.66 0.16 114.58 120.97 2dim h GLU 16 Ca -0.12 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2dim h GLU 16 Cb 0.88 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2dim h GLU 16 CO 0.19 0.11 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.70 2dim h ASP 17 N 0.16 0.16 -0.57 1.42 5.19 -0.95 -2.22 116.42 119.61 2dim h ASP 17 Ca 0.59 -0.34 0.11 0.00 -0.62 0.00 0.00 57.03 56.76 2dim h ASP 17 Cb 1.23 -0.04 -0.09 0.00 0.18 0.00 0.00 39.33 40.62 2dim h ASP 17 CO -0.70 0.46 0.07 -0.33 -3.12 0.00 0.00 179.24 175.62 2dim h GLU 18 N -0.15 0.19 -0.15 3.56 5.08 0.98 0.18 114.58 124.26 2dim h GLU 18 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2dim h GLU 18 Cb 0.39 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2dim h GLU 18 CO 0.01 0.12 0.08 0.82 -1.00 0.00 0.00 179.01 179.03 2dim h ILE 19 N 0.19 1.12 0.57 3.13 2.04 -1.07 -2.56 117.51 120.92 2dim h ILE 19 Ca 0.29 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2dim h ILE 19 Cb 0.45 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2dim h ILE 19 CO -0.42 0.11 -0.36 0.25 0.00 0.00 0.00 178.15 177.72 2dim h LEU 20 N 0.13 -0.92 -0.16 1.44 5.85 -0.69 -0.81 115.31 120.14 2dim h LEU 20 Ca 0.05 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2dim h LEU 20 Cb 0.10 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2dim h LEU 20 CO -0.01 -0.56 -0.17 0.11 -0.34 0.00 0.00 178.44 177.47 2dim h LYS 21 N -0.89 -0.09 -0.17 1.25 1.57 -0.67 0.18 116.57 117.75 2dim h LYS 21 Ca -0.07 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2dim h LYS 21 Cb 0.73 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 2dim h LYS 21 CO 0.06 -0.06 -0.51 0.00 -0.57 0.00 0.00 179.45 178.37 2dim h ALA 22 N -0.85 -0.85 -0.83 3.86 0.00 -1.47 -1.55 119.26 117.58 2dim h ALA 22 Ca 0.03 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.05 2dim h ALA 22 Cb 0.17 1.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 2dim h ALA 22 CO -0.20 -1.04 -0.23 0.00 0.00 0.00 0.00 179.25 177.77 2dim h ALA 23 N -0.34 0.47 -0.48 0.00 0.00 -0.73 1.14 119.26 119.33 2dim h ALA 23 Ca 0.04 0.31 0.14 0.00 0.00 0.00 0.00 54.91 55.39 2dim h ALA 23 Cb 0.62 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2dim h ALA 23 CO -0.43 -0.44 0.35 0.28 0.00 0.00 0.00 179.25 179.00 2dim h VAL 24 N -0.01 0.77 0.15 0.00 2.07 0.32 0.38 116.25 119.92 2dim h VAL 24 Ca 0.38 -0.01 -0.29 0.00 0.82 0.00 0.00 66.70 67.61 2dim h VAL 24 Cb 0.61 0.75 0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2dim h VAL 24 CO -0.86 0.00 -1.27 0.24 0.02 0.00 0.00 177.57 175.71 2dim h MET 25 N 0.02 0.41 0.21 1.57 2.86 0.19 0.38 114.93 120.56 2dim h MET 25 Ca 0.23 -0.63 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 2dim h MET 25 Cb 0.89 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2dim h MET 25 CO -0.01 1.29 -0.10 -0.22 1.06 0.00 0.00 176.91 178.93 2dim h LYS 26 N 0.14 -0.27 0.00 1.72 3.64 0.63 -3.34 116.57 119.09 2dim h LYS 26 Ca -0.17 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2dim h LYS 26 Cb 1.97 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.85 2dim h LYS 26 CO 0.22 -0.06 -0.13 1.88 -2.27 0.00 0.00 179.45 179.10 2dim h TYR 27 N -1.04 0.00 0.00 1.91 0.05 -0.49 -3.50 116.97 113.90 2dim h TYR 27 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2dim h TYR 27 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2dim h TYR 27 CO 0.03 0.03 0.00 0.41 -1.05 0.00 0.00 178.16 177.58 2dim n GLY 28 N 1.12 -2.79 1.83 3.88 0.00 0.13 -4.35 105.19 105.02 2dim n GLY 28 Ca 0.03 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 2dim n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dim n LYS 29 N -0.07 3.09 -0.05 1.61 5.02 -1.21 -4.11 118.16 122.45 2dim n LYS 29 Ca 0.00 -2.52 -0.06 0.00 -2.02 0.00 0.00 58.31 53.70 2dim n LYS 29 Cb 0.00 -2.05 -0.05 0.00 -0.02 0.00 0.00 35.03 32.91 2dim n LYS 29 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2dim n ASN 30 N -0.19 3.19 -2.33 4.39 0.23 -1.26 -4.68 115.26 114.61 2dim n ASN 30 Ca 0.36 -0.04 -0.21 0.00 -0.53 0.00 0.00 54.58 54.17 2dim n ASN 30 Cb 1.25 0.07 -0.11 0.00 -2.08 0.00 0.00 39.78 38.92 2dim n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dim n GLN 31 N -2.65 2.37 -0.19 -3.83 6.02 -1.26 -4.56 117.38 113.28 2dim n GLN 31 Ca -0.16 -1.69 -0.08 0.00 -0.01 0.00 0.00 57.00 55.06 2dim n GLN 31 Cb 0.71 -2.13 0.02 0.00 1.02 0.00 0.00 30.24 29.85 2dim n GLN 31 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2dim h TRP 32 N 3.19 0.80 -0.05 1.08 4.06 -1.84 -1.21 115.95 121.97 2dim h TRP 32 Ca 0.33 -0.05 0.02 0.00 2.06 0.00 0.00 58.89 61.25 2dim h TRP 32 Cb 1.09 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.99 2dim h TRP 32 CO 1.66 0.64 -0.07 0.66 -3.56 0.00 0.00 178.44 177.78 2dim h SER 33 N 0.72 -0.21 -0.02 -3.49 4.64 -1.89 -1.99 113.55 111.31 2dim h SER 33 Ca 0.18 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2dim h SER 33 Cb 0.17 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2dim h SER 33 CO -0.02 -0.10 0.01 -0.09 -0.87 0.00 0.00 176.83 175.76 2dim h ARG 34 N -0.10 0.02 -0.87 4.77 2.43 -1.90 -2.70 114.38 116.03 2dim h ARG 34 Ca 0.05 -0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.41 2dim h ARG 34 Cb 0.16 -0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.59 2dim h ARG 34 CO -0.11 0.05 0.38 0.82 -1.51 0.00 0.00 179.97 179.60 2dim h ILE 35 N -0.01 0.53 -0.87 1.20 2.04 -1.01 0.14 117.51 119.53 2dim h ILE 35 Ca 0.01 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.81 2dim h ILE 35 Cb 0.03 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.10 2dim h ILE 35 CO -0.00 0.08 0.52 0.00 0.00 0.00 0.00 178.15 178.75 2dim h ALA 36 N 1.67 1.24 -0.90 1.87 0.00 -1.03 -1.66 119.26 120.46 2dim h ALA 36 Ca 0.53 0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.64 2dim h ALA 36 Cb 0.95 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 2dim h ALA 36 CO -0.50 0.19 0.45 1.03 0.00 0.00 0.00 179.25 180.42 2dim h SER 37 N 0.89 0.48 -0.34 0.00 0.87 -0.64 -0.63 113.55 114.19 2dim h SER 37 Ca 0.41 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 61.16 2dim h SER 37 Cb 0.32 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 2dim h SER 37 CO -0.23 0.12 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.10 2dim h LEU 38 N 0.54 -0.20 -9.41 2.23 3.38 -1.29 -3.40 115.31 107.16 2dim h LEU 38 Ca 0.53 0.09 -0.55 0.00 0.09 0.00 0.00 57.88 58.04 2dim h LEU 38 Cb 0.90 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2dim h LEU 38 CO -0.45 -0.06 0.19 -0.76 0.09 0.00 0.00 178.44 177.45 2dim s LEU 39 N -10.49 4.36 0.20 1.67 1.43 -0.24 -5.03 118.68 110.57 2dim s LEU 39 Ca -0.13 1.38 -0.30 0.00 -1.03 0.00 0.00 54.13 54.05 2dim s LEU 39 Cb 0.13 -3.26 -0.08 0.00 0.03 0.00 0.00 46.19 43.01 2dim s LEU 39 CO 0.70 -0.13 1.12 -2.28 0.23 0.00 0.00 176.35 175.99 2dim s HIS 40 N 0.69 3.55 -0.92 0.29 5.65 -1.26 -3.39 115.29 119.90 2dim s HIS 40 Ca 0.42 1.58 -0.06 0.00 0.25 0.00 0.00 55.06 57.25 2dim s HIS 40 Cb -0.19 -3.31 0.01 0.00 -1.18 0.00 0.00 32.58 27.90 2dim s HIS 40 CO 0.22 -0.73 0.81 0.54 -0.65 0.00 0.00 174.74 174.93 2dim n ARG 41 N 2.19 -5.42 -4.13 2.88 5.12 -1.26 -5.03 116.66 111.00 2dim n ARG 41 Ca 0.02 0.57 -0.15 0.00 -1.93 0.00 0.00 57.85 56.36 2dim n ARG 41 Cb 0.46 -4.82 -0.13 0.00 -1.16 0.00 0.00 32.46 26.81 2dim n ARG 41 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2dim s LYS 42 N -5.84 0.54 0.07 5.56 -0.14 -1.22 -5.10 119.74 113.61 2dim s LYS 42 Ca 0.38 -0.55 0.06 0.00 -1.36 0.00 0.00 55.97 54.49 2dim s LYS 42 Cb -0.17 -0.42 -0.03 0.00 -1.68 0.00 0.00 37.83 35.54 2dim s LYS 42 CO 0.50 0.10 -0.15 -1.54 -0.76 0.00 0.00 175.35 173.49 2dim s SER 43 N -1.00 1.82 0.23 2.83 1.04 -1.26 -4.59 113.70 112.78 2dim s SER 43 Ca -0.04 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.82 2dim s SER 43 Cb -0.07 -0.08 0.58 0.00 0.10 0.00 0.00 66.02 66.55 2dim s SER 43 CO 0.00 -0.02 1.17 0.00 0.98 0.00 0.00 173.24 175.37 2dim n ALA 44 N 1.41 0.39 0.00 5.32 0.00 -1.26 0.43 120.51 126.80 2dim n ALA 44 Ca -0.20 0.80 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 2dim n ALA 44 Cb 0.54 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 2dim n ALA 44 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dim h LYS 45 N 0.00 -0.52 -0.61 0.00 3.11 -1.95 0.32 116.57 116.91 2dim h LYS 45 Ca 0.46 0.04 0.01 0.00 -2.81 0.00 0.00 60.65 58.34 2dim h LYS 45 Cb 0.94 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.26 2dim h LYS 45 CO -0.70 -0.35 0.40 1.96 -2.81 0.00 0.00 179.45 177.95 2dim h GLN 46 N -0.54 0.77 -0.80 1.90 1.08 -0.42 0.93 115.11 118.03 2dim h GLN 46 Ca 0.06 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 2dim h GLN 46 Cb 0.66 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.85 2dim h GLN 46 CO -0.41 0.51 0.49 0.00 -0.95 0.00 0.00 178.83 178.47 2dim h LYS 48 N 0.90 0.57 0.41 0.00 3.64 0.11 -2.75 116.57 119.45 2dim h LYS 48 Ca 0.35 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2dim h LYS 48 Cb 0.16 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2dim h LYS 48 CO -0.17 1.01 -0.20 0.00 -2.27 0.00 0.00 179.45 177.82 2dim h ALA 49 N 0.56 -0.82 -0.97 5.00 0.00 -0.39 -1.48 119.26 121.15 2dim h ALA 49 Ca -0.00 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 55.09 2dim h ALA 49 Cb 1.02 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 2dim h ALA 49 CO 0.09 -0.78 0.47 -0.09 0.00 0.00 0.00 179.25 178.93 2dim h ARG 50 N -0.75 0.26 0.00 0.00 9.65 -0.12 1.17 114.38 124.59 2dim h ARG 50 Ca -0.06 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2dim h ARG 50 Cb 0.42 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2dim h ARG 50 CO 0.09 0.17 0.00 1.87 2.80 0.00 0.00 179.97 184.91 2dim n TRP 51 N -5.12 0.00 0.21 2.20 -0.00 -1.04 -2.31 117.44 111.38 2dim n TRP 51 Ca 0.29 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.90 2dim n TRP 51 Cb 0.91 -0.35 0.58 0.00 -0.00 0.00 0.00 31.31 32.45 2dim n TRP 51 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 2dim h TYR 52 N 0.00 0.00 0.18 5.87 0.05 -0.89 0.93 116.97 123.12 2dim h TYR 52 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2dim h TYR 52 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2dim h TYR 52 CO 0.11 0.00 -0.09 0.93 -1.05 0.00 0.00 178.16 178.07 2dim h GLU 53 N 0.00 -0.24 0.00 4.88 4.39 0.15 -3.44 114.58 120.32 2dim h GLU 53 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2dim h GLU 53 Cb 0.39 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2dim h GLU 53 CO 0.00 0.17 -0.60 0.91 -1.16 0.00 0.00 179.01 178.33 2dim n TRP 54 N -4.97 0.00 -2.66 4.33 7.02 -0.64 -4.96 117.44 115.57 2dim n TRP 54 Ca -0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.98 2dim n TRP 54 Cb 0.26 0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 29.15 2dim n TRP 54 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2dim s LEU 55 N -4.40 3.78 -0.29 -0.99 1.43 0.31 -4.91 118.68 113.62 2dim s LEU 55 Ca 0.00 -1.22 -0.25 0.00 -1.03 0.00 0.00 54.13 51.63 2dim s LEU 55 Cb 0.00 -2.52 0.17 0.00 0.03 0.00 0.00 46.19 43.87 2dim s LEU 55 CO 0.00 -1.52 1.29 -0.62 0.23 0.00 0.00 176.35 175.73 2dim s ASP 56 N 4.25 -0.19 -0.02 2.29 2.15 -1.24 -3.46 116.67 120.44 2dim s ASP 56 Ca 0.38 0.36 -0.25 0.00 0.43 0.00 0.00 52.55 53.46 2dim s ASP 56 Cb -0.05 0.36 -0.19 0.00 -0.30 0.00 0.00 42.92 42.73 2dim s ASP 56 CO -0.00 -0.07 1.22 1.55 -0.17 0.00 0.00 175.17 177.69 2dim h PRO 57 N 3.41 -0.07 -1.11 4.34 0.13 -1.95 -3.19 132.00 133.56 2dim h PRO 57 Ca -0.26 0.00 0.41 0.00 -0.87 0.00 0.00 66.00 65.29 2dim h PRO 57 Cb 1.19 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2dim h PRO 57 CO 0.16 0.39 0.67 0.45 -0.23 0.00 0.00 178.00 179.44 2dim n SER 58 N -4.90 0.25 -4.51 1.44 2.88 -1.26 -4.51 113.62 103.02 2dim n SER 58 Ca -0.08 1.39 -0.46 0.00 -1.33 0.00 0.00 58.87 58.38 2dim n SER 58 Cb 0.25 -0.68 -0.02 0.00 -0.75 0.00 0.00 64.21 63.01 2dim n SER 58 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2dim n ILE 59 N -4.79 1.91 -2.73 2.46 5.41 -1.21 -4.82 119.36 115.59 2dim n ILE 59 Ca 0.36 -0.48 -0.43 0.00 1.00 0.00 0.00 62.75 63.20 2dim n ILE 59 Cb 1.32 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 39.67 2dim n ILE 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2dim n LYS 60 N 0.90 3.27 -2.81 0.38 5.02 -1.26 -4.98 118.16 118.68 2dim n LYS 60 Ca 0.13 -3.51 -0.23 0.00 -2.02 0.00 0.00 58.31 52.68 2dim n LYS 60 Cb 0.29 -3.31 0.02 0.00 -0.02 0.00 0.00 35.03 32.01 2dim n LYS 60 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2dim s LYS 61 N 3.13 2.93 0.49 1.97 -0.14 -1.26 -4.98 119.74 121.87 2dim s LYS 61 Ca 0.49 -0.45 0.25 0.00 -1.36 0.00 0.00 55.97 54.90 2dim s LYS 61 Cb 0.01 -2.49 1.29 0.00 -1.68 0.00 0.00 37.83 34.97 2dim s LYS 61 CO 0.05 -0.44 2.02 0.00 -0.76 0.00 0.00 175.35 176.21 2dim h THR 62 N 0.22 0.67 -1.80 2.17 1.03 -2.03 -3.44 112.91 109.73 2dim h THR 62 Ca -0.45 -0.67 -0.67 0.00 -0.01 0.00 0.00 66.41 64.61 2dim h THR 62 Cb 1.26 1.42 0.04 0.00 -1.07 0.00 0.00 68.15 69.80 2dim h THR 62 CO 0.57 0.15 0.74 -0.62 -0.01 0.00 0.00 175.52 176.36 2dim n GLU 63 N -3.70 1.49 -1.07 0.00 4.71 -1.26 -4.93 120.64 115.87 2dim n GLU 63 Ca -0.02 0.54 -0.29 0.00 -0.01 0.00 0.00 57.16 57.39 2dim n GLU 63 Cb 0.27 -2.25 0.19 0.00 -1.01 0.00 0.00 31.44 28.64 2dim n GLU 63 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2dim s TRP 64 N 1.98 1.99 0.45 -0.32 0.52 -1.26 -5.07 118.94 117.23 2dim s TRP 64 Ca 0.89 1.03 0.04 0.00 0.02 0.00 0.00 56.10 58.08 2dim s TRP 64 Cb -0.90 -3.23 -0.05 0.00 -1.15 0.00 0.00 33.47 28.14 2dim s TRP 64 CO 0.51 -3.03 0.01 -1.54 0.02 0.00 0.00 176.95 172.92 2dim s SER 65 N -3.31 3.92 0.31 2.95 1.04 -1.26 -5.09 113.70 112.26 2dim s SER 65 Ca 0.66 -1.50 -0.17 0.00 0.48 0.00 0.00 55.95 55.41 2dim s SER 65 Cb -0.20 0.02 -0.13 0.00 0.10 0.00 0.00 66.02 65.82 2dim s SER 65 CO 0.59 -0.64 0.10 0.61 0.98 0.00 0.00 173.24 174.88 2dim n GLY 66 N -1.09 -2.11 0.00 7.32 0.00 -1.26 -4.74 105.19 103.31 2dim n GLY 66 Ca -0.11 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.00 2dim n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dim n PRO 67 N 1.04 0.45 -0.03 1.61 -0.04 -1.26 -3.27 135.00 133.51 2dim n PRO 67 Ca 0.09 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2dim n PRO 67 Cb 0.31 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.74 2dim n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dim h SER 68 N 0.00 0.39 -3.22 3.54 4.64 -2.06 -3.38 113.55 113.46 2dim h SER 68 Ca 0.00 -0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2dim h SER 68 Cb 0.02 -0.09 -0.37 0.00 -0.31 0.00 0.00 62.40 61.65 2dim h SER 68 CO 0.00 0.26 -0.79 -0.44 -0.87 0.00 0.00 176.83 174.98 2dim s SER 69 N -6.47 2.21 0.00 4.97 0.01 -1.20 -5.27 113.70 107.94 2dim s SER 69 Ca -0.08 -0.34 0.12 0.00 1.31 0.00 0.00 55.95 56.97 2dim s SER 69 Cb 0.19 -0.79 0.10 0.00 0.21 0.00 0.00 66.02 65.73 2dim s SER 69 CO 0.74 -0.15 0.89 0.61 0.41 0.00 0.00 173.24 175.75