#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wes s SER 2 N 0.00 5.44 -0.03 1.61 0.15 -1.26 -5.12 113.70 114.49 1wes s SER 2 Ca 0.00 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.59 1wes s SER 2 Cb 0.00 -1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 62.89 1wes s SER 2 CO 0.00 0.10 -0.22 -0.94 1.20 0.00 0.00 173.24 173.37 1wes s SER 3 N -2.91 2.70 0.00 5.45 1.04 -1.26 -5.09 113.70 113.63 1wes s SER 3 Ca 0.30 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1wes s SER 3 Cb -0.10 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1wes s SER 3 CO 0.22 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.30 1wes n GLY 4 N 2.75 4.53 3.91 7.32 0.00 -1.26 -5.13 105.19 117.31 1wes n GLY 4 Ca -0.16 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 1wes n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wes s SER 5 N 0.00 6.43 -0.24 1.61 0.15 -1.26 -5.10 113.70 115.28 1wes s SER 5 Ca 0.00 0.60 -0.12 0.00 0.70 0.00 0.00 55.95 57.13 1wes s SER 5 Cb 0.00 -2.10 0.08 0.00 -1.71 0.00 0.00 66.02 62.30 1wes s SER 5 CO 0.00 -0.13 0.57 -0.94 1.20 0.00 0.00 173.24 173.94 1wes s SER 6 N -3.14 -0.78 0.00 5.45 1.04 -1.26 -5.10 113.70 109.91 1wes s SER 6 Ca 0.42 1.30 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1wes s SER 6 Cb -0.11 1.36 0.00 0.00 0.10 0.00 0.00 66.02 67.37 1wes s SER 6 CO 0.29 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1wes n GLY 7 N 4.61 -1.88 3.51 7.32 0.00 -1.26 -5.13 105.19 112.37 1wes n GLY 7 Ca -0.18 0.91 -0.57 0.00 0.00 0.00 0.00 46.02 46.18 1wes n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wes n GLU 8 N 0.00 0.23 -4.11 1.61 2.13 -1.26 -4.93 120.64 114.32 1wes n GLU 8 Ca 0.00 0.08 -0.34 0.00 0.66 0.00 0.00 57.16 57.56 1wes n GLU 8 Cb 0.00 -1.59 -0.14 0.00 0.27 0.00 0.00 31.44 29.98 1wes n GLU 8 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1wes s PHE 9 N 0.03 2.91 -0.30 4.31 -0.71 -1.26 -4.99 117.98 117.98 1wes s PHE 9 Ca 0.88 -0.98 0.08 0.00 -1.04 0.00 0.00 56.93 55.87 1wes s PHE 9 Cb -1.19 -2.03 0.46 0.00 -1.21 0.00 0.00 43.02 39.06 1wes s PHE 9 CO 0.55 -0.52 1.36 0.00 -1.34 0.00 0.00 175.22 175.27 1wes n ALA 10 N 4.51 4.50 -1.36 1.99 0.00 -1.26 -5.03 120.51 123.87 1wes n ALA 10 Ca -0.19 -3.41 -0.49 0.00 0.00 0.00 0.00 53.44 49.35 1wes n ALA 10 Cb 0.51 -0.58 -0.13 0.00 0.00 0.00 0.00 19.45 19.25 1wes n ALA 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wes n ILE 11 N -0.99 0.00 -1.55 0.00 5.41 -1.26 -4.70 119.36 116.27 1wes n ILE 11 Ca 0.35 0.00 -0.60 0.00 1.00 0.00 0.00 62.75 63.50 1wes n ILE 11 Cb 0.89 -0.49 -0.08 0.00 -0.71 0.00 0.00 39.64 39.25 1wes n ILE 11 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1wes n ASP 12 N 8.89 0.34 -0.03 4.38 9.92 -1.26 -4.87 116.55 133.92 1wes n ASP 12 Ca 0.60 1.16 -0.13 0.00 -0.53 0.00 0.00 54.79 55.89 1wes n ASP 12 Cb -0.00 -0.94 -0.09 0.00 -0.64 0.00 0.00 41.12 39.45 1wes n ASP 12 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1wes h PRO 13 N 3.49 0.12 -0.48 -0.24 0.13 -2.00 -3.33 132.00 129.70 1wes h PRO 13 Ca -0.50 -0.07 0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1wes h PRO 13 Cb 1.41 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.48 1wes h PRO 13 CO 0.71 0.57 -0.37 -0.91 -0.23 0.00 0.00 178.00 177.78 1wes h ASN 14 N -0.32 -1.31 -2.70 1.44 2.35 -2.00 -3.37 115.58 109.67 1wes h ASN 14 Ca 0.01 0.19 -0.55 0.00 -0.55 0.00 0.00 56.30 55.40 1wes h ASN 14 Cb 0.55 0.56 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1wes h ASN 14 CO 0.01 -0.19 1.02 -0.70 -1.65 0.00 0.00 177.43 175.92 1wes s GLU 15 N -4.64 4.20 0.66 0.81 2.56 -1.25 -5.00 118.70 116.04 1wes s GLU 15 Ca -0.08 2.07 -0.11 0.00 0.00 0.00 0.00 54.97 56.85 1wes s GLU 15 Cb 0.06 -3.88 0.16 0.00 2.00 0.00 0.00 34.13 32.48 1wes s GLU 15 CO 0.39 -0.78 0.58 -0.35 -0.56 0.00 0.00 175.26 174.54 1wes n PRO 16 N 6.75 -2.16 -4.21 4.30 -0.04 -1.26 -4.83 135.00 133.55 1wes n PRO 16 Ca 0.16 -0.93 -0.16 0.00 -0.04 0.00 0.00 63.50 62.53 1wes n PRO 16 Cb 0.43 -0.87 -0.11 0.00 -0.04 0.00 0.00 33.50 32.91 1wes n PRO 16 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wes s THR 17 N -2.05 1.15 0.08 0.52 -4.23 -1.26 -4.44 115.64 105.40 1wes s THR 17 Ca 0.38 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1wes s THR 17 Cb -0.04 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.36 1wes s THR 17 CO 0.29 -0.48 0.00 -1.22 -0.54 0.00 0.00 174.62 172.67 1wes n TYR 18 N 0.55 -0.51 -0.85 3.99 4.02 -1.25 -4.97 117.16 118.14 1wes n TYR 18 Ca -0.16 0.09 -0.35 0.00 -0.01 0.00 0.00 57.90 57.47 1wes n TYR 18 Cb 0.57 0.25 0.10 0.00 -0.02 0.00 0.00 39.34 40.24 1wes n TYR 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wes h LEU 20 N -1.47 0.77 0.00 0.00 3.38 -1.95 -2.11 115.31 113.92 1wes h LEU 20 Ca -0.46 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1wes h LEU 20 Cb 1.35 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1wes h LEU 20 CO 0.30 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.74 1wes n ASN 22 N -1.34 -2.46 -4.42 0.00 5.15 -0.79 -5.02 115.26 106.36 1wes n ASN 22 Ca 0.02 -0.61 -0.22 0.00 -0.60 0.00 0.00 54.58 53.17 1wes n ASN 22 Cb 0.05 -5.00 -0.10 0.00 -0.53 0.00 0.00 39.78 34.20 1wes n ASN 22 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1wes s GLN 23 N -5.23 1.54 0.12 1.20 -1.52 -1.26 -4.91 119.66 109.61 1wes s GLN 23 Ca 0.04 -1.71 -0.31 0.00 -1.95 0.00 0.00 55.36 51.43 1wes s GLN 23 Cb -0.01 -1.48 -0.10 0.00 -0.22 0.00 0.00 33.01 31.21 1wes s GLN 23 CO 0.71 0.25 1.70 0.14 -0.25 0.00 0.00 175.29 177.83 1wes s VAL 24 N -2.72 2.68 0.02 1.09 -7.23 -1.26 -3.75 120.40 109.23 1wes s VAL 24 Ca 0.27 0.29 -0.35 0.00 -1.81 0.00 0.00 61.98 60.38 1wes s VAL 24 Cb -0.02 -3.19 -0.14 0.00 0.56 0.00 0.00 36.38 33.59 1wes s VAL 24 CO 0.12 0.01 1.63 -1.20 -0.31 0.00 0.00 175.10 175.35 1wes n SER 25 N 5.09 2.80 -3.25 4.85 7.64 -1.26 -4.94 113.62 124.56 1wes n SER 25 Ca 0.16 1.06 -0.09 0.00 1.01 0.00 0.00 58.87 61.01 1wes n SER 25 Cb 0.39 -1.33 -0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1wes n SER 25 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1wes s TYR 26 N 2.02 0.22 0.00 1.43 1.13 -1.26 -5.14 117.35 115.75 1wes s TYR 26 Ca 0.86 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 55.76 1wes s TYR 26 Cb -0.79 0.62 0.00 0.00 -1.10 0.00 0.00 41.96 40.69 1wes s TYR 26 CO 0.47 -1.40 0.00 0.41 -2.51 0.00 0.00 175.55 172.52 1wes n GLY 27 N -0.51 0.59 3.69 5.49 0.00 -1.26 -4.46 105.19 108.74 1wes n GLY 27 Ca -0.06 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1wes n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wes s GLU 28 N 0.00 4.27 -0.01 1.61 8.01 -1.26 -5.01 118.70 126.30 1wes s GLU 28 Ca 0.00 2.08 0.00 0.00 0.01 0.00 0.00 54.97 57.07 1wes s GLU 28 Cb 0.00 -3.52 0.01 0.00 -4.31 0.00 0.00 34.13 26.31 1wes s GLU 28 CO 0.00 -0.59 -0.01 -1.64 0.01 0.00 0.00 175.26 173.03 1wes s MET 29 N 2.21 0.17 0.31 1.61 -1.94 -1.26 -3.39 119.30 117.01 1wes s MET 29 Ca 0.67 0.01 0.07 0.00 -1.71 0.00 0.00 55.69 54.72 1wes s MET 29 Cb -0.35 -0.25 -0.03 0.00 2.01 0.00 0.00 34.83 36.21 1wes s MET 29 CO 0.29 -0.04 0.28 0.96 -0.01 0.00 0.00 175.02 176.50 1wes s ILE 30 N 0.40 3.93 -0.01 2.53 -0.00 -0.68 -4.89 121.20 122.48 1wes s ILE 30 Ca -0.04 -1.33 -0.01 0.00 -0.00 0.00 0.00 60.65 59.28 1wes s ILE 30 Cb -0.06 -3.30 -0.04 0.00 -0.00 0.00 0.00 42.46 39.06 1wes s ILE 30 CO -0.01 -0.23 0.09 -0.83 -0.00 0.00 0.00 174.94 173.96 1wes s GLY 31 N -3.97 2.03 0.00 6.27 0.00 -1.26 -2.17 107.32 108.22 1wes s GLY 31 Ca 0.39 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1wes s GLY 31 CO 0.27 -0.72 0.82 0.00 0.00 0.00 0.00 173.10 173.46 1wes n ASP 33 N -0.59 -0.62 -4.51 0.00 9.92 -1.06 -4.23 116.55 115.47 1wes n ASP 33 Ca 0.03 0.31 -0.26 0.00 -0.53 0.00 0.00 54.79 54.34 1wes n ASP 33 Cb 0.01 -0.75 -0.10 0.00 -0.64 0.00 0.00 41.12 39.64 1wes n ASP 33 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1wes s ASN 34 N -1.51 3.90 -0.17 -2.24 2.47 -1.26 -4.98 114.94 111.16 1wes s ASN 34 Ca 0.00 -0.76 -0.10 0.00 0.42 0.00 0.00 52.86 52.42 1wes s ASN 34 Cb 0.00 -0.51 -0.23 0.00 -1.45 0.00 0.00 41.25 39.07 1wes s ASN 34 CO 0.00 0.08 0.22 1.21 -3.72 0.00 0.00 177.10 174.90 1wes n GLU 35 N -0.13 0.69 -0.27 0.43 4.07 -1.26 -4.30 120.64 119.88 1wes n GLU 35 Ca -0.10 0.32 -0.06 0.00 -0.06 0.00 0.00 57.16 57.26 1wes n GLU 35 Cb 0.57 -1.68 0.07 0.00 -0.06 0.00 0.00 31.44 30.33 1wes n GLU 35 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1wes h GLN 36 N -0.25 1.15 -5.66 5.31 4.15 -1.99 -3.42 115.11 114.41 1wes h GLN 36 Ca -0.44 -0.24 -0.60 0.00 0.77 0.00 0.00 58.65 58.14 1wes h GLN 36 Cb 1.83 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 29.31 1wes h GLN 36 CO -0.03 0.97 1.53 0.00 -1.93 0.00 0.00 178.83 179.37 1wes n PRO 38 N 8.32 0.38 -0.05 0.00 -0.04 -1.26 -3.41 135.00 138.94 1wes n PRO 38 Ca 0.49 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.90 1wes n PRO 38 Cb 0.19 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 1wes n PRO 38 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1wes n ILE 39 N -1.11 0.68 -3.49 0.52 5.41 -1.26 -4.99 119.36 115.11 1wes n ILE 39 Ca 0.10 -0.09 -0.23 0.00 1.00 0.00 0.00 62.75 63.53 1wes n ILE 39 Cb 0.08 -1.68 -0.03 0.00 -0.71 0.00 0.00 39.64 37.31 1wes n ILE 39 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1wes n GLU 40 N -3.53 -2.50 -3.58 0.38 2.13 -1.22 -4.88 120.64 107.45 1wes n GLU 40 Ca -0.19 0.26 -0.00 0.00 0.66 0.00 0.00 57.16 57.89 1wes n GLU 40 Cb 0.59 -4.88 -0.04 0.00 0.27 0.00 0.00 31.44 27.37 1wes n GLU 40 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1wes s TRP 41 N -2.80 -1.16 0.08 4.31 0.52 -1.26 -4.05 118.94 114.57 1wes s TRP 41 Ca 0.43 2.01 -0.07 0.00 0.02 0.00 0.00 56.10 58.49 1wes s TRP 41 Cb -0.24 0.70 -0.01 0.00 -1.15 0.00 0.00 33.47 32.76 1wes s TRP 41 CO 0.53 -0.58 0.13 -0.06 0.02 0.00 0.00 176.95 176.99 1wes s PHE 42 N 2.77 0.25 0.88 -1.98 0.40 -0.92 -3.28 117.98 116.10 1wes s PHE 42 Ca -0.05 -0.72 -0.12 0.00 -0.60 0.00 0.00 56.93 55.45 1wes s PHE 42 Cb -0.10 -0.15 0.16 0.00 0.51 0.00 0.00 43.02 43.44 1wes s PHE 42 CO -0.19 -0.50 1.22 -1.01 0.70 0.00 0.00 175.22 175.44 1wes s HIS 43 N -3.87 1.83 -0.03 0.36 3.76 -1.26 -1.68 115.29 114.40 1wes s HIS 43 Ca 0.05 0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 55.19 1wes s HIS 43 Cb 0.06 -3.75 -0.01 0.00 1.11 0.00 0.00 32.58 29.99 1wes s HIS 43 CO -0.11 -2.27 -0.04 0.74 -0.85 0.00 0.00 174.74 172.21 1wes h PHE 44 N -1.27 0.00 -0.97 1.40 -1.00 -1.85 -3.27 116.94 109.98 1wes h PHE 44 Ca -0.43 0.00 0.32 0.00 2.81 0.00 0.00 57.97 60.67 1wes h PHE 44 Cb 1.26 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 40.66 1wes h PHE 44 CO -0.69 0.00 0.40 0.77 -1.61 0.00 0.00 178.31 177.17 1wes h SER 45 N -0.24 0.18 -0.11 2.17 0.02 -1.91 0.45 113.55 114.11 1wes h SER 45 Ca 0.00 0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1wes h SER 45 Cb 0.11 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1wes h SER 45 CO 0.00 -0.26 0.06 0.00 -1.14 0.00 0.00 176.83 175.49 1wes n VAL 47 N -4.99 1.63 -4.04 0.00 0.24 0.13 -4.86 118.33 106.44 1wes n VAL 47 Ca -0.05 -0.68 -0.27 0.00 -2.04 0.00 0.00 64.34 61.30 1wes n VAL 47 Cb 0.05 -0.69 -0.04 0.00 -1.47 0.00 0.00 33.84 31.68 1wes n VAL 47 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1wes n SER 48 N -0.03 -0.17 -4.45 -1.34 2.88 -0.41 -4.96 113.62 105.15 1wes n SER 48 Ca 0.20 -1.08 -0.31 0.00 -1.33 0.00 0.00 58.87 56.35 1wes n SER 48 Cb 0.86 -2.67 -0.13 0.00 -0.75 0.00 0.00 64.21 61.52 1wes n SER 48 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wes s LEU 49 N -7.07 2.57 -0.09 2.46 1.43 0.12 -4.97 118.68 113.14 1wes s LEU 49 Ca 0.02 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1wes s LEU 49 Cb -0.01 -1.50 -0.11 0.00 0.03 0.00 0.00 46.19 44.60 1wes s LEU 49 CO 0.92 0.26 0.02 0.35 0.23 0.00 0.00 176.35 178.13 1wes n THR 50 N 1.61 0.63 -3.70 5.49 -2.24 -1.26 -3.60 114.28 111.20 1wes n THR 50 Ca -0.16 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 1wes n THR 50 Cb 0.52 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 1wes n THR 50 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1wes s TYR 51 N -2.22 -0.23 -0.32 4.78 -0.85 -1.26 -5.07 117.35 112.18 1wes s TYR 51 Ca -0.05 0.22 -0.33 0.00 -0.52 0.00 0.00 57.07 56.39 1wes s TYR 51 Cb 0.03 0.17 -0.10 0.00 0.38 0.00 0.00 41.96 42.44 1wes s TYR 51 CO 0.37 -0.51 2.21 1.17 -1.52 0.00 0.00 175.55 177.26 1wes n LYS 52 N 0.72 1.31 -2.15 -3.49 0.00 -1.26 -4.88 118.16 108.41 1wes n LYS 52 Ca -0.19 0.35 -0.42 0.00 0.00 0.00 0.00 58.31 58.04 1wes n LYS 52 Cb 0.59 -2.68 -0.03 0.00 0.00 0.00 0.00 35.03 32.91 1wes n LYS 52 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1wes s PRO 53 N 6.30 4.21 0.06 1.64 0.04 -1.26 -4.96 135.00 141.03 1wes s PRO 53 Ca 1.07 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.82 1wes s PRO 53 Cb -0.71 -3.86 -0.08 0.00 0.04 0.00 0.00 34.50 29.89 1wes s PRO 53 CO 0.45 -0.77 1.69 0.21 0.04 0.00 0.00 177.00 178.62 1wes s LYS 54 N 3.64 4.19 0.00 4.56 2.36 -1.26 -4.75 119.74 128.47 1wes s LYS 54 Ca 0.67 2.35 0.00 0.00 -2.55 0.00 0.00 55.97 56.44 1wes s LYS 54 Cb -0.30 -3.68 0.00 0.00 -1.05 0.00 0.00 37.83 32.80 1wes s LYS 54 CO 0.25 -0.77 0.00 0.41 1.55 0.00 0.00 175.35 176.79 1wes n GLY 55 N 4.07 0.04 3.70 5.54 0.00 -1.26 -5.01 105.19 112.27 1wes n GLY 55 Ca 0.16 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1wes n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wes s LYS 56 N 0.00 4.46 -0.12 1.61 -2.85 -1.26 -5.04 119.74 116.54 1wes s LYS 56 Ca 0.00 1.46 0.03 0.00 -1.00 0.00 0.00 55.97 56.46 1wes s LYS 56 Cb 0.00 -3.50 0.01 0.00 -2.06 0.00 0.00 37.83 32.27 1wes s LYS 56 CO 0.00 -0.24 -0.22 -0.46 0.10 0.00 0.00 175.35 174.53 1wes s TRP 57 N 1.63 2.58 -0.15 1.78 -0.00 -1.26 -5.07 118.94 118.45 1wes s TRP 57 Ca 0.51 -1.20 0.02 0.00 -0.00 0.00 0.00 56.10 55.43 1wes s TRP 57 Cb -0.21 -1.75 0.01 0.00 -0.00 0.00 0.00 33.47 31.52 1wes s TRP 57 CO 0.23 -0.53 -0.21 0.71 -0.00 0.00 0.00 176.95 177.15 1wes s TYR 58 N 0.63 2.69 0.67 5.86 2.02 -1.26 -2.55 117.35 125.42 1wes s TYR 58 Ca -0.12 -1.35 -0.18 0.00 -0.37 0.00 0.00 57.07 55.05 1wes s TYR 58 Cb -0.16 -1.83 -0.15 0.00 -0.40 0.00 0.00 41.96 39.42 1wes s TYR 58 CO 0.02 -0.62 -0.32 0.00 -1.57 0.00 0.00 175.55 173.07 1wes n PRO 60 N 1.73 0.49 -0.02 0.00 -0.04 -1.26 -2.09 135.00 133.80 1wes n PRO 60 Ca 0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1wes n PRO 60 Cb 0.50 -1.46 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 1wes n PRO 60 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wes n LYS 61 N -0.96 0.66 -0.09 0.54 5.02 -1.26 -4.07 118.16 118.00 1wes n LYS 61 Ca 0.11 -0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 1wes n LYS 61 Cb 0.05 -1.58 -0.12 0.00 -0.02 0.00 0.00 35.03 33.36 1wes n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wes h ARG 63 N -0.49 0.24 -6.60 0.00 0.11 -1.69 -3.41 114.38 102.54 1wes h ARG 63 Ca -0.51 -0.01 -0.51 0.00 0.10 0.00 0.00 59.98 59.04 1wes h ARG 63 Cb 1.71 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 32.71 1wes h ARG 63 CO -0.16 0.16 0.27 0.20 0.10 0.00 0.00 179.97 180.54 1wes s GLY 64 N -3.89 3.00 -0.16 0.08 0.00 -1.26 -5.05 107.32 100.03 1wes s GLY 64 Ca -0.07 0.49 -0.02 0.00 0.00 0.00 0.00 44.72 45.12 1wes s GLY 64 CO 0.73 1.10 -0.08 -0.35 0.00 0.00 0.00 173.10 174.51 1wes s ASP 65 N -0.88 4.32 0.43 1.64 -1.08 -1.26 -4.94 116.67 114.89 1wes s ASP 65 Ca 0.40 -0.29 0.07 0.00 -0.52 0.00 0.00 52.55 52.21 1wes s ASP 65 Cb -0.24 -1.70 -0.04 0.00 -1.46 0.00 0.00 42.92 39.48 1wes s ASP 65 CO 0.29 0.11 0.20 -0.94 0.52 0.00 0.00 175.17 175.35 1wes s SER 66 N 0.69 4.47 0.08 -0.34 1.04 -1.26 -5.07 113.70 113.30 1wes s SER 66 Ca -0.04 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1wes s SER 66 Cb -0.15 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.58 1wes s SER 66 CO 0.02 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1wes n GLY 67 N -1.29 -1.37 0.17 7.32 0.00 -1.26 -4.95 105.19 103.81 1wes n GLY 67 Ca -0.01 0.31 0.02 0.00 0.00 0.00 0.00 46.02 46.34 1wes n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wes h PRO 68 N 0.00 0.00 -7.22 1.61 0.13 -2.09 -3.45 132.00 120.99 1wes h PRO 68 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1wes h PRO 68 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 1wes h PRO 68 CO 0.00 0.45 0.36 0.45 -0.23 0.00 0.00 178.00 179.03 1wes s SER 69 N -6.79 4.61 0.21 1.44 0.15 -1.26 -4.99 113.70 107.06 1wes s SER 69 Ca -0.02 2.08 -0.29 0.00 0.70 0.00 0.00 55.95 58.42 1wes s SER 69 Cb 0.13 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.80 1wes s SER 69 CO 0.73 -1.97 0.90 -0.94 1.20 0.00 0.00 173.24 173.16 1wes s SER 70 N -2.57 7.58 0.00 5.45 1.04 -1.26 -5.09 113.70 118.85 1wes s SER 70 Ca 0.68 1.87 0.24 0.00 0.48 0.00 0.00 55.95 59.22 1wes s SER 70 Cb -0.22 -2.58 0.28 0.00 0.10 0.00 0.00 66.02 63.60 1wes s SER 70 CO 0.46 0.15 1.31 0.61 0.98 0.00 0.00 173.24 176.75