#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3j n SER 2 N 0.00 -6.02 -4.21 6.41 3.41 -1.25 -4.66 113.62 107.31 1y3j n SER 2 Ca 0.00 0.35 -0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1y3j n SER 2 Cb 0.00 -1.45 -0.10 0.00 -0.26 0.00 0.00 64.21 62.40 1y3j n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1y3j s SER 3 N -0.94 0.21 0.00 4.04 0.01 0.21 -4.98 113.70 112.25 1y3j s SER 3 Ca 0.01 -1.39 -0.00 0.00 1.31 0.00 0.00 55.95 55.88 1y3j s SER 3 Cb -0.00 0.37 -0.00 0.00 0.21 0.00 0.00 66.02 66.59 1y3j s SER 3 CO 0.03 -0.83 0.00 -1.59 0.41 0.00 0.00 173.24 171.26 1y3j s LYS 4 N -4.15 0.11 0.01 12.44 0.00 -1.26 -0.71 119.74 126.18 1y3j s LYS 4 Ca 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 55.97 56.16 1y3j s LYS 4 Cb 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 37.83 37.93 1y3j s LYS 4 CO 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 175.35 175.47 1y3j s TYR 6 N -1.39 3.18 -0.19 0.00 1.51 -1.26 -0.88 117.35 118.32 1y3j s TYR 6 Ca -0.15 0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 56.04 1y3j s TYR 6 Cb -0.09 -1.74 0.07 0.00 -0.11 0.00 0.00 41.96 40.09 1y3j s TYR 6 CO -0.00 0.50 0.13 0.96 -1.11 0.00 0.00 175.55 176.03 1y3j s ILE 7 N -1.03 -0.15 0.38 2.71 -4.36 -0.44 -0.59 121.20 117.71 1y3j s ILE 7 Ca 0.18 -0.20 -0.24 0.00 -0.26 0.00 0.00 60.65 60.13 1y3j s ILE 7 Cb -0.12 -0.64 -0.10 0.00 1.25 0.00 0.00 42.46 42.86 1y3j s ILE 7 CO 0.08 -0.30 0.96 -1.58 0.24 0.00 0.00 174.94 174.34 1y3j s GLN 8 N 2.19 4.36 -0.15 0.37 0.74 0.57 -0.15 119.66 127.58 1y3j s GLN 8 Ca 0.04 1.27 -0.11 0.00 0.05 0.00 0.00 55.36 56.61 1y3j s GLN 8 Cb -0.16 -2.49 0.05 0.00 1.10 0.00 0.00 33.01 31.51 1y3j s GLN 8 CO -0.12 0.07 0.39 0.54 -0.55 0.00 0.00 175.29 175.62 1y3j s VAL 9 N -1.87 -0.02 -1.35 1.34 0.11 -1.26 -0.32 120.40 117.04 1y3j s VAL 9 Ca 0.57 0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 59.53 1y3j s VAL 9 Cb -0.15 -0.56 0.09 0.00 -1.53 0.00 0.00 36.38 34.23 1y3j s VAL 9 CO 0.20 0.02 1.95 0.41 -3.33 0.00 0.00 175.10 174.35 1y3j n THR 10 N 3.65 3.86 0.00 5.04 -1.04 0.09 -4.00 114.28 121.88 1y3j n THR 10 Ca -0.19 -3.77 0.00 0.00 -2.04 0.00 0.00 64.05 58.05 1y3j n THR 10 Cb 0.56 -2.48 0.00 0.00 -1.82 0.00 0.00 70.33 66.59 1y3j n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y3j n GLY 11 N 4.11 2.03 0.00 3.41 0.00 -1.26 -4.82 105.19 108.66 1y3j n GLY 11 Ca 0.47 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1y3j n GLY 11 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y3j n MET 12 N 0.00 0.00 -2.32 1.61 0.00 -1.26 -4.68 117.12 110.47 1y3j n MET 12 Ca 0.00 0.11 -0.35 0.00 0.00 0.00 0.00 57.70 57.46 1y3j n MET 12 Cb 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 33.22 32.64 1y3j n MET 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1y3j n THR 13 N -2.37 3.62 0.36 1.12 -1.04 -1.26 -0.68 114.28 114.04 1y3j n THR 13 Ca 0.00 -4.93 -0.14 0.00 -2.04 0.00 0.00 64.05 56.94 1y3j n THR 13 Cb 0.00 -1.32 -0.07 0.00 -1.82 0.00 0.00 70.33 67.12 1y3j n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y3j n ALA 15 N -2.63 -3.26 -1.37 0.00 0.00 -1.26 -4.97 120.51 107.02 1y3j n ALA 15 Ca -0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 1y3j n ALA 15 Cb 0.37 -2.95 -0.01 0.00 0.00 0.00 0.00 19.45 16.86 1y3j n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1y3j n SER 16 N 1.56 -2.79 -0.34 0.00 3.41 -1.26 -4.93 113.62 109.28 1y3j n SER 16 Ca 0.03 0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.80 1y3j n SER 16 Cb 0.69 -1.02 0.32 0.00 -0.26 0.00 0.00 64.21 63.95 1y3j n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y3j h VAL 18 N 0.78 0.13 -0.39 0.00 2.07 -1.18 0.25 116.25 117.90 1y3j h VAL 18 Ca 0.55 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.98 1y3j h VAL 18 Cb 0.83 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1y3j h VAL 18 CO -0.33 0.01 -0.08 0.00 0.02 0.00 0.00 177.57 177.18 1y3j h ALA 19 N 1.89 1.13 0.10 1.67 0.00 -0.68 0.33 119.26 123.69 1y3j h ALA 19 Ca 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1y3j h ALA 19 Cb 0.92 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1y3j h ALA 19 CO -0.86 0.55 -0.10 -0.97 0.00 0.00 0.00 179.25 177.87 1y3j h ASN 20 N 0.62 -0.28 -0.13 0.00 -1.24 -0.03 -1.17 115.58 113.36 1y3j h ASN 20 Ca 0.11 0.03 0.04 0.00 0.71 0.00 0.00 56.30 57.20 1y3j h ASN 20 Cb 0.51 0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.61 1y3j h ASN 20 CO 0.03 -0.16 -0.19 0.40 -1.29 0.00 0.00 177.43 176.22 1y3j h ILE 21 N -0.23 0.52 -0.64 2.57 2.04 0.46 0.79 117.51 123.03 1y3j h ILE 21 Ca 0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.00 1y3j h ILE 21 Cb 0.22 0.52 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 1y3j h ILE 21 CO -0.03 0.00 -0.05 -0.33 0.00 0.00 0.00 178.15 177.74 1y3j h GLU 22 N -0.24 0.07 0.00 2.37 5.08 -0.94 0.27 114.58 121.19 1y3j h GLU 22 Ca 0.10 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1y3j h GLU 22 Cb 0.38 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1y3j h GLU 22 CO -0.27 0.05 -0.24 -0.09 -1.00 0.00 0.00 179.01 177.46 1y3j h ARG 23 N 0.07 0.00 0.25 2.33 2.43 0.26 -3.35 114.38 116.37 1y3j h ARG 23 Ca 0.33 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1y3j h ARG 23 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1y3j h ARG 23 CO -0.59 0.24 -0.12 -2.95 -1.51 0.00 0.00 179.97 175.04 1y3j h ASN 24 N 0.00 -0.29 0.20 -3.80 7.08 0.41 -3.38 115.58 115.80 1y3j h ASN 24 Ca -0.00 -0.19 -0.12 0.00 -3.08 0.00 0.00 56.30 52.91 1y3j h ASN 24 Cb 0.50 0.07 -0.01 0.00 -2.08 0.00 0.00 38.32 36.81 1y3j h ASN 24 CO 0.03 0.21 -0.44 -0.07 -2.08 0.00 0.00 177.43 175.08 1y3j h LEU 25 N -0.98 0.32 -1.12 6.14 3.38 -1.57 0.50 115.31 121.98 1y3j h LEU 25 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1y3j h LEU 25 Cb 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1y3j h LEU 25 CO 0.06 0.72 0.46 0.08 0.09 0.00 0.00 178.44 179.85 1y3j h ARG 26 N 0.25 0.00 -0.78 1.13 0.11 -1.75 -0.28 114.38 113.06 1y3j h ARG 26 Ca 0.02 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.20 1y3j h ARG 26 Cb 0.88 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.84 1y3j h ARG 26 CO 0.07 0.00 -0.37 0.54 0.10 0.00 0.00 179.97 180.31 1y3j n ARG 27 N -2.44 -0.25 -3.42 0.08 5.12 0.17 -4.81 116.66 111.12 1y3j n ARG 27 Ca -0.01 1.20 -0.39 0.00 -1.93 0.00 0.00 57.85 56.72 1y3j n ARG 27 Cb 0.49 -1.77 -0.09 0.00 -1.16 0.00 0.00 32.46 29.93 1y3j n ARG 27 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1y3j s GLU 28 N -5.60 3.97 -0.34 5.56 2.02 -0.12 -4.97 118.70 119.21 1y3j s GLU 28 Ca -0.10 -0.04 -0.28 0.00 0.02 0.00 0.00 54.97 54.56 1y3j s GLU 28 Cb 0.13 -3.67 -0.07 0.00 0.10 0.00 0.00 34.13 30.62 1y3j s GLU 28 CO 0.53 -0.29 2.30 0.39 0.02 0.00 0.00 175.26 178.21 1y3j n GLU 29 N 5.30 1.51 0.00 1.61 4.71 -1.26 -0.42 120.64 132.09 1y3j n GLU 29 Ca -0.09 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.37 1y3j n GLU 29 Cb 0.51 -3.19 0.00 0.00 -1.01 0.00 0.00 31.44 27.75 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1y3j n GLY 30 N 5.96 0.86 3.74 0.62 0.00 -1.26 -4.37 105.19 110.74 1y3j n GLY 30 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 1y3j n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y3j s ILE 31 N -1.80 4.05 -0.34 -0.61 -1.09 0.44 -0.07 121.20 121.79 1y3j s ILE 31 Ca 0.00 1.93 0.15 0.00 -2.23 0.00 0.00 60.65 60.50 1y3j s ILE 31 Cb 0.00 -4.23 0.44 0.00 -1.58 0.00 0.00 42.46 37.09 1y3j s ILE 31 CO 0.00 0.41 1.14 -1.22 -1.23 0.00 0.00 174.94 174.04 1y3j n TYR 32 N 1.86 -0.25 -3.78 3.97 4.01 0.30 -4.94 117.16 118.34 1y3j n TYR 32 Ca -0.00 -2.37 -0.02 0.00 -0.16 0.00 0.00 57.90 55.35 1y3j n TYR 32 Cb 0.47 0.42 -0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1y3j n TYR 32 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1y3j s SER 33 N -2.43 -0.09 -0.02 7.72 0.01 -0.99 -4.71 113.70 113.19 1y3j s SER 33 Ca 0.24 -0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.14 1y3j s SER 33 Cb 0.43 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 67.06 1y3j s SER 33 CO -0.02 -0.80 -0.26 0.27 0.41 0.00 0.00 173.24 172.84 1y3j s ILE 34 N -2.72 2.04 0.07 1.44 -5.25 -1.26 -3.96 121.20 111.56 1y3j s ILE 34 Ca 0.16 -1.10 -0.11 0.00 -0.99 0.00 0.00 60.65 58.62 1y3j s ILE 34 Cb -0.01 -1.70 0.01 0.00 2.95 0.00 0.00 42.46 43.72 1y3j s ILE 34 CO 0.02 0.58 0.24 -0.76 -1.79 0.00 0.00 174.94 173.22 1y3j s LEU 35 N -0.55 1.19 -0.47 0.37 1.02 -1.01 -5.00 118.68 114.23 1y3j s LEU 35 Ca 0.08 -0.43 0.06 0.00 0.02 0.00 0.00 54.13 53.87 1y3j s LEU 35 Cb -0.10 1.15 0.23 0.00 0.02 0.00 0.00 46.19 47.48 1y3j s LEU 35 CO -0.00 -0.66 0.75 0.52 0.02 0.00 0.00 176.35 176.98 1y3j n VAL 36 N 0.31 -0.21 -1.31 -1.59 0.31 -1.26 -0.77 118.33 113.81 1y3j n VAL 36 Ca -0.17 -1.96 -0.38 0.00 -0.01 0.00 0.00 64.34 61.82 1y3j n VAL 36 Cb 0.61 0.55 -0.04 0.00 -0.91 0.00 0.00 33.84 34.05 1y3j n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y3j n ALA 37 N 1.99 7.51 0.24 3.52 0.00 0.22 -4.60 120.51 129.39 1y3j n ALA 37 Ca 0.15 -3.46 0.09 0.00 0.00 0.00 0.00 53.44 50.21 1y3j n ALA 37 Cb 0.59 -3.31 0.65 0.00 0.00 0.00 0.00 19.45 17.37 1y3j n ALA 37 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1y3j h LEU 38 N 6.86 0.00 -1.36 0.00 8.10 -1.88 0.11 115.31 127.14 1y3j h LEU 38 Ca 0.84 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.80 1y3j h LEU 38 Cb 0.34 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.54 1y3j h LEU 38 CO 1.71 0.00 0.12 0.24 -4.11 0.00 0.00 178.44 176.40 1y3j h MET 39 N 0.00 0.55 0.06 0.17 2.86 -1.89 -0.67 114.93 116.02 1y3j h MET 39 Ca 0.02 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1y3j h MET 39 Cb 0.07 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1y3j h MET 39 CO -0.00 0.49 -0.03 0.00 1.06 0.00 0.00 176.91 178.43 1y3j h ALA 40 N 1.59 -0.08 0.00 6.32 0.00 -1.90 -3.49 119.26 121.70 1y3j h ALA 40 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1y3j h ALA 40 Cb 0.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y3j h ALA 40 CO -0.01 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1y3j n GLY 41 N 1.23 0.41 3.25 0.00 0.00 0.20 -5.16 105.19 105.11 1y3j n GLY 41 Ca -0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1y3j n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y3j s LYS 42 N 0.00 0.70 0.75 1.61 1.02 -0.04 -4.22 119.74 119.56 1y3j s LYS 42 Ca 0.00 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.64 1y3j s LYS 42 Cb 0.00 0.31 0.04 0.00 -0.52 0.00 0.00 37.83 37.66 1y3j s LYS 42 CO 0.00 -0.20 1.09 0.00 -0.92 0.00 0.00 175.35 175.32 1y3j s ALA 43 N -1.53 2.49 0.16 5.17 0.00 0.79 -0.61 121.76 128.24 1y3j s ALA 43 Ca -0.12 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 51.74 1y3j s ALA 43 Cb -0.04 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1y3j s ALA 43 CO 0.03 -1.47 -0.14 -2.00 0.00 0.00 0.00 175.76 172.18 1y3j s GLU 44 N -5.17 1.17 -0.03 0.00 2.12 0.05 -1.33 118.70 115.52 1y3j s GLU 44 Ca 0.59 -1.43 0.02 0.00 0.36 0.00 0.00 54.97 54.52 1y3j s GLU 44 Cb -0.14 -0.98 0.01 0.00 0.26 0.00 0.00 34.13 33.28 1y3j s GLU 44 CO 0.54 0.17 -0.08 0.54 -0.54 0.00 0.00 175.26 175.89 1y3j s VAL 45 N -2.66 0.75 -0.17 3.70 0.11 -0.06 -2.42 120.40 119.66 1y3j s VAL 45 Ca 0.16 -0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 58.83 1y3j s VAL 45 Cb -0.02 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1y3j s VAL 45 CO 0.04 0.25 0.03 -0.60 -3.33 0.00 0.00 175.10 171.49 1y3j s ARG 46 N 0.38 3.87 0.30 1.54 3.52 -1.25 -0.66 118.95 126.64 1y3j s ARG 46 Ca -0.06 -0.39 -0.15 0.00 -0.13 0.00 0.00 55.73 55.00 1y3j s ARG 46 Cb -0.10 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1y3j s ARG 46 CO 0.01 0.28 0.62 1.52 -0.81 0.00 0.00 175.30 176.91 1y3j s TYR 47 N 0.32 0.22 -0.74 5.12 1.13 0.11 -0.54 117.35 122.97 1y3j s TYR 47 Ca 0.01 -0.66 0.03 0.00 -1.41 0.00 0.00 57.07 55.04 1y3j s TYR 47 Cb -0.13 0.46 0.18 0.00 -1.10 0.00 0.00 41.96 41.37 1y3j s TYR 47 CO 0.01 -1.21 0.55 1.21 -2.51 0.00 0.00 175.55 173.61 1y3j s ASN 48 N -3.02 5.09 -0.95 -0.18 2.47 0.90 -0.62 114.94 118.64 1y3j s ASN 48 Ca 0.18 -3.80 -0.25 0.00 0.42 0.00 0.00 52.86 49.42 1y3j s ASN 48 Cb -0.03 -1.70 -0.10 0.00 -1.45 0.00 0.00 41.25 37.97 1y3j s ASN 48 CO 0.10 -0.11 2.08 -2.16 -3.72 0.00 0.00 177.10 173.29 1y3j s PRO 49 N -1.40 2.16 0.00 0.43 0.04 -1.26 -1.23 135.00 133.74 1y3j s PRO 49 Ca 0.25 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1y3j s PRO 49 Cb -0.06 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1y3j s PRO 49 CO -0.15 -3.98 0.00 0.00 0.04 0.00 0.00 177.00 172.91 1y3j n ALA 50 N 15.82 0.00 -0.06 8.56 0.00 -1.26 0.51 120.51 144.07 1y3j n ALA 50 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 1y3j n ALA 50 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1y3j n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y3j h VAL 51 N 0.00 0.40 0.06 0.00 2.07 -1.52 -3.46 116.25 113.80 1y3j h VAL 51 Ca 0.00 -1.32 -0.30 0.00 0.82 0.00 0.00 66.70 65.90 1y3j h VAL 51 Cb 0.00 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1y3j h VAL 51 CO 0.00 0.13 -1.64 0.00 0.02 0.00 0.00 177.57 176.08 1y3j n ILE 52 N -4.72 1.66 -0.39 4.57 3.06 -1.00 -5.05 119.36 117.50 1y3j n ILE 52 Ca -0.04 -0.35 0.00 0.00 -2.50 0.00 0.00 62.75 59.86 1y3j n ILE 52 Cb 0.15 -1.89 0.00 0.00 0.54 0.00 0.00 39.64 38.44 1y3j n ILE 52 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 1y3j n GLN 53 N -3.96 0.00 -0.30 9.51 -0.06 -1.26 -4.64 117.38 116.67 1y3j n GLN 53 Ca -0.32 0.20 0.07 0.00 -2.00 0.00 0.00 57.00 54.95 1y3j n GLN 53 Cb 0.87 -0.18 0.18 0.00 -4.06 0.00 0.00 30.24 27.04 1y3j n GLN 53 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 1y3j h PRO 54 N 0.00 0.03 -0.76 3.69 0.11 -1.97 0.26 132.00 133.37 1y3j h PRO 54 Ca 0.00 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.20 1y3j h PRO 54 Cb 0.00 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.03 1y3j h PRO 54 CO 0.00 0.02 0.40 -1.00 -0.21 0.00 0.00 178.00 177.21 1y3j h PRO 55 N 0.03 0.66 -0.44 1.05 0.13 -1.99 -0.21 132.00 131.22 1y3j h PRO 55 Ca 0.47 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.54 1y3j h PRO 55 Cb 0.83 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1y3j h PRO 55 CO -0.84 0.43 0.21 0.52 -0.23 0.00 0.00 178.00 178.10 1y3j h MET 56 N 0.68 0.64 -0.28 0.86 2.86 -0.81 0.24 114.93 119.12 1y3j h MET 56 Ca 0.37 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.97 1y3j h MET 56 Cb 0.37 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 31.84 1y3j h MET 56 CO -0.26 0.55 -0.43 0.82 1.06 0.00 0.00 176.91 178.65 1y3j h ILE 57 N 0.58 0.12 -0.49 -1.22 1.08 -0.49 0.13 117.51 117.23 1y3j h ILE 57 Ca 0.15 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.69 1y3j h ILE 57 Cb 0.12 0.12 -0.06 0.00 -3.07 0.00 0.00 36.82 33.93 1y3j h ILE 57 CO -0.02 0.00 0.17 0.00 -0.69 0.00 0.00 178.15 177.61 1y3j h ALA 58 N 0.26 0.60 -0.18 1.87 0.00 -0.58 -3.02 119.26 118.21 1y3j h ALA 58 Ca 0.11 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1y3j h ALA 58 Cb 0.60 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1y3j h ALA 58 CO -0.49 -0.22 -0.22 0.93 0.00 0.00 0.00 179.25 179.24 1y3j h GLU 59 N 0.34 0.47 -1.05 0.00 4.39 -0.53 -3.21 114.58 115.00 1y3j h GLU 59 Ca 0.24 -0.26 0.27 0.00 0.34 0.00 0.00 59.36 59.94 1y3j h GLU 59 Cb 0.25 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.82 1y3j h GLU 59 CO -0.25 0.85 0.67 0.74 -1.16 0.00 0.00 179.01 179.86 1y3j h PHE 60 N 0.13 0.69 -0.35 4.33 0.04 -0.62 0.38 116.94 121.54 1y3j h PHE 60 Ca 0.02 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 1y3j h PHE 60 Cb 0.78 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 1y3j h PHE 60 CO 0.08 0.05 -0.38 0.82 -0.60 0.00 0.00 178.31 178.28 1y3j h ILE 61 N 0.40 1.28 -0.04 -0.55 2.04 -1.56 -3.22 117.51 115.85 1y3j h ILE 61 Ca 0.61 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 64.79 1y3j h ILE 61 Cb 1.52 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1y3j h ILE 61 CO -0.32 0.52 -0.54 0.03 0.00 0.00 0.00 178.15 177.83 1y3j h ARG 62 N 0.69 0.12 -0.97 2.37 3.08 -0.33 -3.28 114.38 116.06 1y3j h ARG 62 Ca 0.05 -0.08 0.31 0.00 0.07 0.00 0.00 59.98 60.33 1y3j h ARG 62 Cb 0.98 0.01 -0.18 0.00 0.08 0.00 0.00 29.97 30.86 1y3j h ARG 62 CO 0.09 0.64 0.21 0.93 -1.07 0.00 0.00 179.97 180.77 1y3j h GLU 63 N 0.10 0.04 0.00 0.04 5.08 -1.11 0.14 114.58 118.87 1y3j h GLU 63 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y3j h GLU 63 Cb 0.99 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1y3j h GLU 63 CO 0.08 0.03 -0.09 1.47 -1.00 0.00 0.00 179.01 179.50 1y3j n LEU 64 N -5.38 0.51 0.00 1.33 -0.00 -1.24 -4.89 117.00 107.33 1y3j n LEU 64 Ca 0.27 0.48 0.00 0.00 -0.00 0.00 0.00 56.01 56.76 1y3j n LEU 64 Cb 0.89 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1y3j n LEU 64 CO -0.02 -0.09 0.00 0.61 -0.00 0.00 0.00 177.39 177.89 1y3j n GLY 65 N 1.39 0.80 3.57 1.47 0.00 0.49 -5.04 105.19 107.86 1y3j n GLY 65 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1y3j n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y3j s PHE 66 N -2.00 2.37 -0.39 1.61 0.40 -1.24 -4.90 117.98 113.83 1y3j s PHE 66 Ca 0.00 -0.57 -0.27 0.00 -0.60 0.00 0.00 56.93 55.49 1y3j s PHE 66 Cb 0.00 -4.49 -0.05 0.00 0.51 0.00 0.00 43.02 38.99 1y3j s PHE 66 CO 0.00 -1.77 2.26 0.20 0.70 0.00 0.00 175.22 176.61 1y3j s GLY 67 N 5.61 0.04 0.04 4.36 0.00 -1.26 -3.83 107.32 112.27 1y3j s GLY 67 Ca 0.56 0.27 0.01 0.00 0.00 0.00 0.00 44.72 45.56 1y3j s GLY 67 CO -0.01 3.91 -0.05 0.00 0.00 0.00 0.00 173.10 176.95 1y3j s ALA 68 N 10.20 0.42 -0.01 3.20 0.00 -1.26 -0.73 121.76 133.57 1y3j s ALA 68 Ca 0.95 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1y3j s ALA 68 Cb -0.23 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 1y3j s ALA 68 CO 0.29 -0.13 -0.06 0.99 0.00 0.00 0.00 175.76 176.86 1y3j s THR 69 N -1.85 0.47 -0.44 0.00 2.01 0.57 -4.93 115.64 111.47 1y3j s THR 69 Ca -0.09 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.41 1y3j s THR 69 Cb -0.07 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 72.05 1y3j s THR 69 CO -0.02 0.14 1.01 -0.69 -0.69 0.00 0.00 174.62 174.38 1y3j s VAL 70 N 0.00 4.40 -0.45 3.82 1.01 -1.26 -0.32 120.40 127.61 1y3j s VAL 70 Ca 0.00 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.14 1y3j s VAL 70 Cb -0.04 -4.47 0.29 0.00 0.00 0.00 0.00 36.38 32.16 1y3j s VAL 70 CO -0.00 -0.81 0.67 -0.38 0.00 0.00 0.00 175.10 174.57 1y3j n ILE 71 N 6.44 0.41 0.00 2.22 5.41 0.24 -4.92 119.36 129.17 1y3j n ILE 71 Ca 0.09 -4.56 0.00 0.00 1.00 0.00 0.00 62.75 59.27 1y3j n ILE 71 Cb 0.48 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1y3j n ILE 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1y3j n GLU 72 N 0.80 0.00 -3.88 0.38 2.13 -1.18 -4.44 120.64 114.45 1y3j n GLU 72 Ca 0.25 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.77 1y3j n GLU 72 Cb 0.53 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.27 1y3j n GLU 72 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1y3j n ASN 73 N 0.00 -4.97 -0.06 4.31 5.15 -1.26 -4.52 115.26 113.91 1y3j n ASN 73 Ca 0.00 -0.75 -0.11 0.00 -0.60 0.00 0.00 54.58 53.12 1y3j n ASN 73 Cb 0.00 -4.02 -0.05 0.00 -0.53 0.00 0.00 39.78 35.18 1y3j n ASN 73 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1y3j h ILE 74 N -2.16 1.22 -3.63 -1.44 -0.00 -1.97 -3.41 117.51 106.12 1y3j h ILE 74 Ca -0.58 -0.71 -0.67 0.00 -0.00 0.00 0.00 64.86 62.90 1y3j h ILE 74 Cb 1.38 1.34 -0.17 0.00 -0.00 0.00 0.00 36.82 39.36 1y3j h ILE 74 CO 0.66 0.22 -0.75 -1.61 -0.00 0.00 0.00 178.15 176.67 1y3j s GLU 75 N -5.20 2.17 0.00 2.19 2.02 -1.26 -5.01 118.70 113.60 1y3j s GLU 75 Ca -0.14 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 53.87 1y3j s GLU 75 Cb 0.07 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1y3j s GLU 75 CO 0.72 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.93 1y3j n GLY 76 N 0.94 0.45 0.00 -1.39 0.00 -1.26 -5.14 105.19 98.79 1y3j n GLY 76 Ca -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1y3j n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19