#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 1.39 -4.85 6.41 7.64 -1.26 -4.99 113.62 117.95 1y3j n SER 2 Ca 0.00 1.13 -0.28 0.00 1.01 0.00 0.00 58.87 60.73 1y3j n SER 2 Cb 0.00 -1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 61.98 1y3j n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1y3j s SER 3 N 0.19 4.47 0.15 6.43 0.15 -0.14 -4.79 113.70 120.16 1y3j s SER 3 Ca 0.79 -1.37 0.05 0.00 0.70 0.00 0.00 55.95 56.12 1y3j s SER 3 Cb -0.91 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 63.76 1y3j s SER 3 CO 0.50 -1.00 -0.11 -1.59 1.20 0.00 0.00 173.24 172.24 1y3j s LYS 4 N -4.14 1.10 0.04 5.44 0.00 -1.26 -0.16 119.74 120.76 1y3j s LYS 4 Ca 0.25 -1.45 0.00 0.00 0.00 0.00 0.00 55.97 54.78 1y3j s LYS 4 Cb -0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 37.83 37.04 1y3j s LYS 4 CO 0.15 0.11 -0.04 0.00 0.00 0.00 0.00 175.35 175.57 1y3j s TYR 6 N -2.42 3.49 -0.13 0.00 2.02 -0.46 -2.75 117.35 117.09 1y3j s TYR 6 Ca -0.05 0.22 -0.08 0.00 -0.37 0.00 0.00 57.07 56.79 1y3j s TYR 6 Cb -0.03 -1.75 0.05 0.00 -0.40 0.00 0.00 41.96 39.83 1y3j s TYR 6 CO -0.04 0.47 0.31 0.42 -1.57 0.00 0.00 175.55 175.15 1y3j s ILE 7 N -1.77 -0.03 -0.23 2.71 1.01 0.79 -0.28 121.20 123.41 1y3j s ILE 7 Ca 0.36 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 1y3j s ILE 7 Cb -0.11 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 1y3j s ILE 7 CO 0.29 0.04 0.14 -1.58 0.00 0.00 0.00 174.94 173.82 1y3j s GLN 8 N 1.07 4.05 -0.13 2.79 2.00 0.39 -0.49 119.66 129.35 1y3j s GLN 8 Ca -0.07 -0.28 -0.09 0.00 -2.00 0.00 0.00 55.36 52.91 1y3j s GLN 8 Cb -0.08 -3.47 -0.04 0.00 0.80 0.00 0.00 33.01 30.22 1y3j s GLN 8 CO -0.08 0.11 0.18 0.14 -0.50 0.00 0.00 175.29 175.14 1y3j s VAL 9 N 0.89 5.41 -1.33 1.34 -7.23 -1.26 -0.68 120.40 117.54 1y3j s VAL 9 Ca 0.07 0.31 -0.17 0.00 -1.81 0.00 0.00 61.98 60.38 1y3j s VAL 9 Cb -0.13 -3.47 0.03 0.00 0.56 0.00 0.00 36.38 33.37 1y3j s VAL 9 CO 0.03 0.56 1.98 0.41 -0.31 0.00 0.00 175.10 177.77 1y3j n THR 10 N 2.41 3.47 0.00 5.32 -1.04 0.73 -3.94 114.28 121.24 1y3j n THR 10 Ca -0.18 -3.33 0.00 0.00 -2.04 0.00 0.00 64.05 58.50 1y3j n THR 10 Cb 0.54 -2.46 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 4.78 0.80 0.15 3.41 0.00 -1.26 -4.62 105.19 108.45 1y3j n GLY 11 Ca 0.50 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1y3j n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3j h MET 12 N 0.00 -0.35 -2.01 1.61 3.00 -1.86 -3.23 114.93 112.08 1y3j h MET 12 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 59.70 59.69 1y3j h MET 12 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 31.60 31.67 1y3j h MET 12 CO 0.00 -0.24 -0.07 -2.37 0.00 0.00 0.00 176.91 174.24 1y3j n THR 13 N -3.38 2.10 -0.09 -0.10 5.66 -1.26 -3.09 114.28 114.11 1y3j n THR 13 Ca -0.05 -0.67 -0.12 0.00 -3.05 0.00 0.00 64.05 60.17 1y3j n THR 13 Cb 0.14 -1.58 -0.04 0.00 -1.55 0.00 0.00 70.33 67.31 1y3j n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y3j n ALA 15 N -2.45 -0.63 0.00 0.00 0.00 -1.18 -4.88 120.51 111.37 1y3j n ALA 15 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1y3j n ALA 15 Cb 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1y3j n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y3j n SER 16 N -2.43 0.00 -0.19 0.00 7.64 -1.26 -4.57 113.62 112.82 1y3j n SER 16 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.86 1y3j n SER 16 Cb 0.11 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.33 1y3j n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y3j h VAL 18 N 0.00 1.30 -0.40 0.00 2.07 -1.89 0.30 116.25 117.63 1y3j h VAL 18 Ca 0.16 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1y3j h VAL 18 Cb 0.28 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1y3j h VAL 18 CO -0.47 0.50 0.19 0.00 0.02 0.00 0.00 177.57 177.81 1y3j h ALA 19 N 1.05 0.51 -0.35 1.67 0.00 -1.08 0.18 119.26 121.25 1y3j h ALA 19 Ca 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1y3j h ALA 19 Cb 0.92 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1y3j h ALA 19 CO 0.08 0.07 0.15 -0.97 0.00 0.00 0.00 179.25 178.58 1y3j h ASN 20 N 0.50 0.19 -0.39 0.00 -1.24 -0.49 -2.01 115.58 112.15 1y3j h ASN 20 Ca 0.14 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 1y3j h ASN 20 Cb 0.11 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 1y3j h ASN 20 CO -0.02 0.15 0.11 0.40 -1.29 0.00 0.00 177.43 176.78 1y3j h ILE 21 N 0.31 1.22 -0.54 2.57 2.04 0.26 0.47 117.51 123.85 1y3j h ILE 21 Ca 0.16 -0.72 0.11 0.00 1.00 0.00 0.00 64.86 65.40 1y3j h ILE 21 Cb 0.10 0.96 -0.11 0.00 -0.74 0.00 0.00 36.82 37.03 1y3j h ILE 21 CO -0.14 0.25 -0.22 -0.33 0.00 0.00 0.00 178.15 177.71 1y3j h GLU 22 N 0.48 -0.09 -0.87 2.37 5.08 -0.94 0.74 114.58 121.34 1y3j h GLU 22 Ca 0.12 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1y3j h GLU 22 Cb 0.27 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1y3j h GLU 22 CO -0.00 -0.06 0.57 0.00 -1.00 0.00 0.00 179.01 178.51 1y3j h ARG 23 N -0.10 0.97 0.49 2.33 2.47 -0.35 -0.96 114.38 119.24 1y3j h ARG 23 Ca 0.25 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.89 1y3j h ARG 23 Cb 0.48 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1y3j h ARG 23 CO -0.60 0.64 -0.24 -0.91 0.56 0.00 0.00 179.97 179.42 1y3j h ASN 24 N 1.00 -0.56 0.02 7.04 2.35 0.13 -3.35 115.58 122.20 1y3j h ASN 24 Ca 0.37 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1y3j h ASN 24 Cb 0.17 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1y3j h ASN 24 CO -0.13 -0.29 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.28 1y3j h LEU 25 N -0.82 -0.02 -0.75 1.61 3.38 -0.62 -3.29 115.31 114.80 1y3j h LEU 25 Ca -0.07 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1y3j h LEU 25 Cb 0.57 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1y3j h LEU 25 CO 0.11 0.78 0.00 -1.14 0.09 0.00 0.00 178.44 178.28 1y3j n ARG 26 N -4.71 0.12 -0.17 1.13 0.63 -0.39 -1.15 116.66 112.12 1y3j n ARG 26 Ca -0.09 0.48 -0.07 0.00 -0.92 0.00 0.00 57.85 57.26 1y3j n ARG 26 Cb 0.37 -1.80 -0.05 0.00 0.45 0.00 0.00 32.46 31.43 1y3j n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1y3j h ARG 27 N 0.00 -0.08 0.00 -0.14 3.08 -1.69 -3.50 114.38 112.05 1y3j h ARG 27 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1y3j h ARG 27 Cb 0.18 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1y3j h ARG 27 CO 0.00 -0.05 0.00 -0.85 -1.07 0.00 0.00 179.97 178.00 1y3j n GLU 28 N -4.20 -2.84 -1.39 0.04 0.28 -0.30 -5.06 120.64 107.17 1y3j n GLU 28 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1y3j n GLU 28 Cb 0.16 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.03 1y3j n GLU 28 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1y3j n GLU 29 N -0.34 0.00 -1.11 3.44 4.07 -1.26 -4.44 120.64 121.00 1y3j n GLU 29 Ca 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.06 1y3j n GLU 29 Cb 0.00 -1.63 -0.02 0.00 -0.06 0.00 0.00 31.44 29.73 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1y3j n GLY 30 N -0.89 0.62 3.72 8.31 0.00 -1.26 -4.63 105.19 111.06 1y3j n GLY 30 Ca 0.00 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.93 4.99 -0.29 -0.61 1.01 -1.26 -0.72 121.20 122.39 1y3j s ILE 31 Ca 0.00 1.62 0.20 0.00 0.00 0.00 0.00 60.65 62.46 1y3j s ILE 31 Cb 0.00 -4.12 0.49 0.00 0.01 0.00 0.00 42.46 38.84 1y3j s ILE 31 CO 0.00 0.23 1.07 -1.22 0.00 0.00 0.00 174.94 175.02 1y3j n TYR 32 N 3.79 1.44 -3.60 3.97 4.02 0.65 -4.91 117.16 122.52 1y3j n TYR 32 Ca 0.01 -2.36 -0.09 0.00 -0.01 0.00 0.00 57.90 55.45 1y3j n TYR 32 Cb 0.51 -0.27 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 1y3j n TYR 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1y3j s SER 33 N -3.60 -0.33 0.65 7.72 0.15 0.09 -4.81 113.70 113.57 1y3j s SER 33 Ca 0.30 0.44 -0.11 0.00 0.70 0.00 0.00 55.95 57.27 1y3j s SER 33 Cb 0.37 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 65.03 1y3j s SER 33 CO -0.02 -0.26 1.04 0.27 1.20 0.00 0.00 173.24 175.48 1y3j s ILE 34 N -0.79 4.39 0.22 6.45 -5.25 -1.26 -0.92 121.20 124.03 1y3j s ILE 34 Ca 0.01 0.80 -0.30 0.00 -0.99 0.00 0.00 60.65 60.17 1y3j s ILE 34 Cb -0.02 -3.65 -0.09 0.00 2.95 0.00 0.00 42.46 41.66 1y3j s ILE 34 CO -0.02 -0.99 1.14 -1.48 -1.79 0.00 0.00 174.94 171.80 1y3j s LEU 35 N -5.27 4.50 -0.04 0.37 0.05 -1.24 -4.47 118.68 112.58 1y3j s LEU 35 Ca 0.57 2.22 -0.30 0.00 0.05 0.00 0.00 54.13 56.66 1y3j s LEU 35 Cb -0.12 -3.61 0.07 0.00 -2.05 0.00 0.00 46.19 40.48 1y3j s LEU 35 CO 0.53 -0.25 0.69 -0.69 -0.55 0.00 0.00 176.35 176.08 1y3j s VAL 36 N -0.53 0.00 -0.42 1.48 1.01 -1.26 -4.68 120.40 116.00 1y3j s VAL 36 Ca 0.49 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.55 1y3j s VAL 36 Cb -0.32 -1.00 0.37 0.00 0.00 0.00 0.00 36.38 35.43 1y3j s VAL 36 CO 0.38 0.00 1.25 0.00 0.00 0.00 0.00 175.10 176.73 1y3j n ALA 37 N 0.79 0.67 0.15 5.51 0.00 0.96 -4.62 120.51 123.97 1y3j n ALA 37 Ca -0.18 -1.47 0.02 0.00 0.00 0.00 0.00 53.44 51.81 1y3j n ALA 37 Cb 0.58 -1.05 0.37 0.00 0.00 0.00 0.00 19.45 19.34 1y3j n ALA 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y3j h LEU 38 N 2.40 0.12 -0.95 0.00 6.46 -1.85 0.26 115.31 121.74 1y3j h LEU 38 Ca -0.20 -0.03 0.28 0.00 -0.12 0.00 0.00 57.88 57.81 1y3j h LEU 38 Cb 1.22 -0.03 -0.15 0.00 -0.73 0.00 0.00 40.66 40.97 1y3j h LEU 38 CO 0.03 0.39 0.42 -0.03 -0.62 0.00 0.00 178.44 178.64 1y3j h MET 39 N 0.11 0.27 0.00 1.25 4.05 -1.93 -2.08 114.93 116.59 1y3j h MET 39 Ca 0.02 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1y3j h MET 39 Cb 0.54 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1y3j h MET 39 CO 0.04 0.18 -0.49 0.00 0.23 0.00 0.00 176.91 176.87 1y3j h ALA 40 N 1.82 0.07 0.00 0.39 0.00 -1.69 -3.49 119.26 116.36 1y3j h ALA 40 Ca 0.66 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1y3j h ALA 40 Cb 1.43 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1y3j h ALA 40 CO -0.63 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.37 1y3j n GLY 41 N 1.61 0.00 3.53 0.00 0.00 0.78 -5.09 105.19 106.01 1y3j n GLY 41 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1y3j n GLY 41 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1y3j n LYS 42 N 0.00 1.07 -4.41 1.61 2.85 -0.36 -4.52 118.16 114.39 1y3j n LYS 42 Ca 0.00 -2.10 -0.20 0.00 -1.05 0.00 0.00 58.31 54.96 1y3j n LYS 42 Cb 0.00 2.61 -0.14 0.00 -0.65 0.00 0.00 35.03 36.85 1y3j n LYS 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1y3j s ALA 43 N -2.02 1.06 -0.37 0.58 0.00 0.36 -0.03 121.76 121.34 1y3j s ALA 43 Ca 0.15 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1y3j s ALA 43 Cb -0.05 -0.20 0.15 0.00 0.00 0.00 0.00 23.12 23.02 1y3j s ALA 43 CO 0.11 0.22 0.31 -1.83 0.00 0.00 0.00 175.76 174.57 1y3j s GLU 44 N -0.78 0.63 0.16 0.00 1.03 -1.26 -0.15 118.70 118.33 1y3j s GLU 44 Ca 0.02 -1.18 -0.29 0.00 0.03 0.00 0.00 54.97 53.55 1y3j s GLU 44 Cb -0.06 -1.02 -0.07 0.00 -0.80 0.00 0.00 34.13 32.17 1y3j s GLU 44 CO 0.00 -1.22 0.92 0.54 -1.33 0.00 0.00 175.26 174.18 1y3j s VAL 45 N 1.15 4.33 -0.19 1.83 0.11 -1.11 -3.68 120.40 122.83 1y3j s VAL 45 Ca 0.19 2.01 -0.06 0.00 -2.93 0.00 0.00 61.98 61.19 1y3j s VAL 45 Cb -0.17 -4.29 -0.03 0.00 -1.53 0.00 0.00 36.38 30.35 1y3j s VAL 45 CO -0.02 0.41 0.03 -0.60 -3.33 0.00 0.00 175.10 171.59 1y3j s ARG 46 N -0.59 3.76 0.34 1.54 3.52 -0.10 -2.32 118.95 125.10 1y3j s ARG 46 Ca 0.43 -0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 55.43 1y3j s ARG 46 Cb -0.24 -3.13 0.03 0.00 -1.56 0.00 0.00 34.95 30.05 1y3j s ARG 46 CO 0.30 0.11 0.70 1.52 -0.81 0.00 0.00 175.30 177.12 1y3j s TYR 47 N 0.76 0.21 -0.14 5.12 1.13 0.77 -0.25 117.35 124.95 1y3j s TYR 47 Ca 0.01 -0.74 -0.06 0.00 -1.41 0.00 0.00 57.07 54.88 1y3j s TYR 47 Cb -0.14 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1y3j s TYR 47 CO 0.02 -1.38 0.06 0.54 -2.51 0.00 0.00 175.55 172.28 1y3j s ASN 48 N -3.05 5.67 0.00 -0.18 2.20 0.10 -0.97 114.94 118.71 1y3j s ASN 48 Ca 0.17 0.19 0.26 0.00 -0.94 0.00 0.00 52.86 52.54 1y3j s ASN 48 Cb -0.04 -1.84 1.48 0.00 -2.00 0.00 0.00 41.25 38.85 1y3j s ASN 48 CO 0.11 0.29 1.96 -0.81 -2.94 0.00 0.00 177.10 175.72 1y3j n PRO 49 N 2.77 1.09 -0.10 3.55 -0.04 -1.26 -4.03 135.00 136.98 1y3j n PRO 49 Ca -0.18 -0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 62.91 1y3j n PRO 49 Cb 0.53 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 1y3j n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y3j n ALA 50 N -0.76 0.88 0.46 0.55 0.00 -1.26 -3.07 120.51 117.32 1y3j n ALA 50 Ca 0.19 -0.62 -0.20 0.00 0.00 0.00 0.00 53.44 52.82 1y3j n ALA 50 Cb 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.90 0.00 0.00 0.00 2.07 -1.96 -3.40 116.25 112.06 1y3j h VAL 51 Ca -0.42 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 66.89 1y3j h VAL 51 Cb 1.43 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1y3j h VAL 51 CO -0.23 0.00 -1.37 0.00 0.02 0.00 0.00 177.57 175.99 1y3j n ILE 52 N -5.51 1.50 0.00 4.57 3.06 -1.26 -5.04 119.36 116.69 1y3j n ILE 52 Ca -0.15 -0.04 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 1y3j n ILE 52 Cb 0.50 -2.12 0.00 0.00 0.54 0.00 0.00 39.64 38.56 1y3j n ILE 52 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1y3j n GLN 53 N -4.43 0.00 -0.16 9.51 1.13 -1.17 -4.62 117.38 117.62 1y3j n GLN 53 Ca -0.30 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.74 1y3j n GLN 53 Cb 0.62 0.00 0.06 0.00 0.11 0.00 0.00 30.24 31.03 1y3j n GLN 53 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1y3j h PRO 54 N 0.00 0.08 -0.24 -1.09 0.11 -1.92 0.18 132.00 129.11 1y3j h PRO 54 Ca 0.00 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.16 1y3j h PRO 54 Cb 0.00 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 1y3j h PRO 54 CO 0.00 0.05 -0.09 -1.00 -0.21 0.00 0.00 178.00 176.75 1y3j h PRO 55 N 0.08 -0.05 -0.48 1.05 0.13 -1.98 -3.14 132.00 127.60 1y3j h PRO 55 Ca 0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.37 1y3j h PRO 55 Cb 0.40 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 1y3j h PRO 55 CO -0.46 -0.04 0.20 0.52 -0.23 0.00 0.00 178.00 178.00 1y3j h MET 56 N -0.05 0.72 -0.47 0.86 2.86 -1.23 0.12 114.93 117.73 1y3j h MET 56 Ca 0.12 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1y3j h MET 56 Cb 0.24 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1y3j h MET 56 CO -0.28 0.63 0.21 0.97 1.06 0.00 0.00 176.91 179.51 1y3j h ILE 57 N 0.64 1.17 0.41 -1.22 2.10 -0.76 -0.14 117.51 119.71 1y3j h ILE 57 Ca 0.16 -0.49 -0.02 0.00 1.08 0.00 0.00 64.86 65.59 1y3j h ILE 57 Cb 0.18 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 1y3j h ILE 57 CO -0.02 0.20 -0.20 0.00 -1.08 0.00 0.00 178.15 177.05 1y3j h ALA 58 N 1.58 -0.55 -0.63 0.18 0.00 -1.37 -3.37 119.26 115.10 1y3j h ALA 58 Ca 0.16 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1y3j h ALA 58 Cb 0.10 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 1y3j h ALA 58 CO -0.02 -0.56 -0.10 0.93 0.00 0.00 0.00 179.25 179.50 1y3j h GLU 59 N -1.05 0.04 -0.99 0.00 5.08 -0.27 0.05 114.58 117.44 1y3j h GLU 59 Ca -0.06 -0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.63 1y3j h GLU 59 Cb 0.52 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.61 1y3j h GLU 59 CO 0.09 0.03 0.53 0.74 -1.00 0.00 0.00 179.01 179.40 1y3j h PHE 60 N 0.04 0.87 0.00 4.33 0.04 -1.19 0.12 116.94 121.15 1y3j h PHE 60 Ca 0.31 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 61.09 1y3j h PHE 60 Cb 0.50 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1y3j h PHE 60 CO -0.46 -0.22 -0.17 0.82 -0.60 0.00 0.00 178.31 177.68 1y3j h ILE 61 N 0.27 0.80 0.74 -0.55 2.04 -1.13 -2.76 117.51 116.93 1y3j h ILE 61 Ca 0.73 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1y3j h ILE 61 Cb 1.70 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1y3j h ILE 61 CO -0.63 0.17 -0.44 0.03 0.00 0.00 0.00 178.15 177.28 1y3j h ARG 62 N 0.00 -1.06 -0.89 2.37 3.08 -0.67 0.21 114.38 117.42 1y3j h ARG 62 Ca -0.00 0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1y3j h ARG 62 Cb 0.39 0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1y3j h ARG 62 CO 0.02 -0.71 0.55 0.93 -1.07 0.00 0.00 179.97 179.70 1y3j h GLU 63 N -1.10 1.20 0.00 0.04 3.07 -1.57 -3.02 114.58 113.19 1y3j h GLU 63 Ca -0.10 -0.10 -0.27 0.00 -0.50 0.00 0.00 59.36 58.39 1y3j h GLU 63 Cb 0.87 -0.26 -0.05 0.00 -0.84 0.00 0.00 28.75 28.48 1y3j h GLU 63 CO 0.11 0.83 -2.17 1.47 -1.40 0.00 0.00 179.01 177.85 1y3j n LEU 64 N -4.37 0.14 0.00 1.33 -0.00 -1.19 -4.92 117.00 107.98 1y3j n LEU 64 Ca 0.10 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 1y3j n LEU 64 Cb 0.05 0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1y3j n LEU 64 CO 0.37 0.35 0.00 0.61 -0.00 0.00 0.00 177.39 178.73 1y3j n GLY 65 N 1.60 0.08 3.61 1.47 0.00 0.47 -5.10 105.19 107.31 1y3j n GLY 65 Ca -0.24 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1y3j n GLY 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1y3j s PHE 66 N 0.00 -0.05 -0.09 1.61 -0.12 0.25 -4.95 117.98 114.62 1y3j s PHE 66 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 56.93 56.59 1y3j s PHE 66 Cb 0.00 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 42.84 1y3j s PHE 66 CO 0.00 -0.15 2.10 0.41 -0.05 0.00 0.00 175.22 177.52 1y3j n GLY 67 N -0.27 1.45 3.05 1.99 0.00 -1.26 -3.07 105.19 107.08 1y3j n GLY 67 Ca -0.03 0.80 -0.34 0.00 0.00 0.00 0.00 46.02 46.45 1y3j n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3j s ALA 68 N 6.35 3.42 -0.26 4.61 0.00 -1.26 -0.19 121.76 134.43 1y3j s ALA 68 Ca 0.95 -3.16 -0.25 0.00 0.00 0.00 0.00 51.96 49.50 1y3j s ALA 68 Cb -0.39 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.28 1y3j s ALA 68 CO 0.39 -2.03 0.86 0.95 0.00 0.00 0.00 175.76 175.93 1y3j s THR 69 N 0.03 4.79 0.25 0.00 -4.23 0.14 -4.69 115.64 111.93 1y3j s THR 69 Ca 0.16 1.55 -0.27 0.00 -1.18 0.00 0.00 61.69 61.95 1y3j s THR 69 Cb -0.22 -4.17 -0.09 0.00 1.34 0.00 0.00 72.50 69.36 1y3j s THR 69 CO -0.03 -0.15 0.89 0.54 -0.54 0.00 0.00 174.62 175.33 1y3j s VAL 70 N 2.97 4.21 -0.30 2.29 0.11 -1.26 -0.46 120.40 127.96 1y3j s VAL 70 Ca 0.36 1.86 -0.04 0.00 -2.93 0.00 0.00 61.98 61.24 1y3j s VAL 70 Cb -0.15 -4.14 0.10 0.00 -1.53 0.00 0.00 36.38 30.66 1y3j s VAL 70 CO 0.09 0.36 0.14 -0.63 -3.33 0.00 0.00 175.10 171.72 1y3j s ILE 71 N -1.36 -0.03 -0.09 7.04 1.01 0.62 -4.93 121.20 123.47 1y3j s ILE 71 Ca 0.43 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1y3j s ILE 71 Cb -0.22 -1.01 -0.21 0.00 0.01 0.00 0.00 42.46 41.03 1y3j s ILE 71 CO 0.27 -0.75 3.48 -1.84 0.00 0.00 0.00 174.94 176.10 1y3j n GLU 72 N 5.13 2.08 -3.70 2.79 0.28 -1.26 -1.36 120.64 124.60 1y3j n GLU 72 Ca -0.04 -1.24 -0.02 0.00 -0.16 0.00 0.00 57.16 55.70 1y3j n GLU 72 Cb 0.42 -2.03 -0.01 0.00 1.43 0.00 0.00 31.44 31.24 1y3j n GLU 72 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1y3j s ASN 73 N 1.72 -0.15 -0.29 -1.84 3.84 -1.26 -5.00 114.94 111.96 1y3j s ASN 73 Ca 0.66 -0.31 -0.13 0.00 0.21 0.00 0.00 52.86 53.29 1y3j s ASN 73 Cb 0.33 0.39 0.11 0.00 -0.55 0.00 0.00 41.25 41.53 1y3j s ASN 73 CO -0.04 -0.72 0.68 -0.51 -2.79 0.00 0.00 177.10 173.73 1y3j s ILE 74 N -3.04 -0.53 0.08 -5.21 1.10 -1.26 -4.66 121.20 107.69 1y3j s ILE 74 Ca 0.12 0.00 -0.26 0.00 -0.51 0.00 0.00 60.65 60.00 1y3j s ILE 74 Cb 0.00 -1.00 0.07 0.00 0.15 0.00 0.00 42.46 41.68 1y3j s ILE 74 CO -0.00 0.00 0.63 -0.70 -2.11 0.00 0.00 174.94 172.76 1y3j s GLU 75 N 2.30 1.20 0.00 3.50 2.12 -1.26 -5.18 118.70 121.38 1y3j s GLU 75 Ca -0.08 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1y3j s GLU 75 Cb -0.09 0.56 0.00 0.00 0.26 0.00 0.00 34.13 34.86 1y3j s GLU 75 CO -0.19 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 1y3j n GLY 76 N 0.09 -2.42 0.00 -1.50 0.00 -1.26 -5.30 105.19 94.80 1y3j n GLY 76 Ca -0.18 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1y3j n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19