#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3j s SER 2 N 0.00 -0.52 0.47 6.41 0.01 -1.26 -4.80 113.70 114.01 1y3j s SER 2 Ca 0.00 0.32 -0.03 0.00 1.31 0.00 0.00 55.95 57.55 1y3j s SER 2 Cb 0.00 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 1y3j s SER 2 CO 0.00 -0.65 0.74 -0.44 0.41 0.00 0.00 173.24 173.30 1y3j s SER 3 N -1.85 6.10 0.27 2.44 0.01 0.71 -4.88 113.70 116.51 1y3j s SER 3 Ca -0.03 0.72 0.10 0.00 1.31 0.00 0.00 55.95 58.05 1y3j s SER 3 Cb -0.01 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 1y3j s SER 3 CO -0.02 -0.62 -0.01 -0.54 0.41 0.00 0.00 173.24 172.47 1y3j s LYS 4 N -4.68 2.26 0.04 12.44 1.02 -1.26 -0.66 119.74 128.90 1y3j s LYS 4 Ca 0.47 -1.46 -0.22 0.00 0.02 0.00 0.00 55.97 54.79 1y3j s LYS 4 Cb -0.10 -2.13 0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1y3j s LYS 4 CO 0.42 0.34 0.49 0.00 -0.92 0.00 0.00 175.35 175.69 1y3j s TYR 6 N -2.32 3.43 -0.01 0.00 1.51 -0.03 -1.23 117.35 118.71 1y3j s TYR 6 Ca -0.06 0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 1y3j s TYR 6 Cb -0.01 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1y3j s TYR 6 CO -0.01 0.52 -0.07 0.42 -1.11 0.00 0.00 175.55 175.30 1y3j s ILE 7 N -1.74 0.60 -0.24 2.71 1.09 0.64 -0.50 121.20 123.76 1y3j s ILE 7 Ca 0.34 -0.30 -0.15 0.00 -1.10 0.00 0.00 60.65 59.44 1y3j s ILE 7 Cb -0.11 -0.53 -0.04 0.00 -1.06 0.00 0.00 42.46 40.73 1y3j s ILE 7 CO 0.28 0.18 0.36 -1.58 -0.10 0.00 0.00 174.94 174.08 1y3j s GLN 8 N 0.00 4.09 0.09 2.79 2.00 0.52 -1.43 119.66 127.72 1y3j s GLN 8 Ca 0.00 0.08 0.09 0.00 -2.00 0.00 0.00 55.36 53.54 1y3j s GLN 8 Cb -0.05 -3.59 -0.04 0.00 0.80 0.00 0.00 33.01 30.14 1y3j s GLN 8 CO -0.00 -0.13 -0.23 0.14 -0.50 0.00 0.00 175.29 174.57 1y3j s VAL 9 N 1.61 2.47 -0.97 1.34 -7.23 -1.26 -0.60 120.40 115.77 1y3j s VAL 9 Ca 0.16 -1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1y3j s VAL 9 Cb -0.15 -2.06 0.29 0.00 0.56 0.00 0.00 36.38 35.02 1y3j s VAL 9 CO 0.08 0.21 1.30 0.41 -0.31 0.00 0.00 175.10 176.79 1y3j n THR 10 N 1.21 4.61 0.00 5.32 -1.04 0.23 -4.61 114.28 119.99 1y3j n THR 10 Ca -0.17 -5.77 0.00 0.00 -2.04 0.00 0.00 64.05 56.07 1y3j n THR 10 Cb 0.52 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 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 1.19 1.90 4.18 3.41 0.00 -1.26 -4.42 105.19 110.18 1y3j n GLY 11 Ca 0.27 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1y3j n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1y3j n MET 12 N 0.00 -3.16 -0.49 1.61 2.81 -1.26 -0.34 117.12 116.29 1y3j n MET 12 Ca 0.00 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 1y3j n MET 12 Cb 0.00 -4.96 0.00 0.00 -0.71 0.00 0.00 33.22 27.55 1y3j n MET 12 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1y3j n THR 13 N -4.40 0.00 -0.19 2.03 -2.24 -1.26 -3.73 114.28 104.48 1y3j n THR 13 Ca -0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1y3j n THR 13 Cb 0.53 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.26 1y3j n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y3j n ALA 15 N -1.99 2.16 0.00 0.00 0.00 -1.26 -3.15 120.51 116.26 1y3j n ALA 15 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1y3j n ALA 15 Cb 0.09 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.11 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 2.88 0.00 0.06 0.00 7.64 -1.26 -4.63 113.62 118.31 1y3j n SER 16 Ca 0.13 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.20 1y3j n SER 16 Cb 0.34 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.26 1y3j n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y3j n VAL 18 N -4.15 -0.38 -0.26 0.00 0.24 -1.21 -0.04 118.33 112.53 1y3j n VAL 18 Ca 0.07 1.88 0.03 0.00 -2.04 0.00 0.00 64.34 64.28 1y3j n VAL 18 Cb 0.54 -3.01 0.11 0.00 -1.47 0.00 0.00 33.84 30.01 1y3j n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1y3j h ALA 19 N 1.83 0.60 0.29 2.33 0.00 -1.08 0.17 119.26 123.41 1y3j h ALA 19 Ca 0.75 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.93 1y3j h ALA 19 Cb 1.92 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 20.19 1y3j h ALA 19 CO -0.73 -0.42 -0.40 -0.97 0.00 0.00 0.00 179.25 176.73 1y3j h ASN 20 N 0.03 -1.12 -0.46 0.00 -1.24 -0.65 -1.31 115.58 110.83 1y3j h ASN 20 Ca 0.38 0.11 -0.12 0.00 0.71 0.00 0.00 56.30 57.37 1y3j h ASN 20 Cb 0.62 0.40 -0.02 0.00 0.73 0.00 0.00 38.32 40.05 1y3j h ASN 20 CO -0.73 -0.52 -0.18 -0.29 -1.29 0.00 0.00 177.43 174.42 1y3j h ILE 21 N -0.75 1.27 0.35 2.57 6.09 -0.64 0.39 117.51 126.79 1y3j h ILE 21 Ca -0.01 -1.33 -0.00 0.00 -1.37 0.00 0.00 64.86 62.15 1y3j h ILE 21 Cb 0.70 1.08 -0.02 0.00 0.47 0.00 0.00 36.82 39.06 1y3j h ILE 21 CO -0.13 0.46 -0.35 -0.33 -3.07 0.00 0.00 178.15 174.73 1y3j h GLU 22 N 0.84 -0.70 -0.99 2.19 5.08 -0.83 0.43 114.58 120.60 1y3j h GLU 22 Ca 0.12 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.68 1y3j h GLU 22 Cb 0.74 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.06 1y3j h GLU 22 CO 0.06 -0.47 0.62 -0.09 -1.00 0.00 0.00 179.01 178.13 1y3j h ARG 23 N -0.73 0.81 -0.17 2.33 1.12 -0.50 -1.11 114.38 116.13 1y3j h ARG 23 Ca -0.02 -0.05 -0.16 0.00 -1.11 0.00 0.00 59.98 58.64 1y3j h ARG 23 Cb 0.66 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 1y3j h ARG 23 CO -0.06 0.53 -0.52 -0.97 -3.11 0.00 0.00 179.97 175.85 1y3j h ASN 24 N 0.83 0.75 -0.86 -3.80 -1.24 0.45 -2.94 115.58 108.77 1y3j h ASN 24 Ca 0.53 -0.59 0.08 0.00 0.71 0.00 0.00 56.30 57.03 1y3j h ASN 24 Cb 0.73 -0.22 -0.06 0.00 0.73 0.00 0.00 38.32 39.50 1y3j h ASN 24 CO -0.30 1.21 0.56 -0.07 -1.29 0.00 0.00 177.43 177.54 1y3j h LEU 25 N 0.33 0.81 -0.51 0.34 4.07 0.77 0.36 115.31 121.48 1y3j h LEU 25 Ca -0.02 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1y3j h LEU 25 Cb 1.14 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1y3j h LEU 25 CO 0.11 0.50 0.00 0.54 -1.08 0.00 0.00 178.44 178.51 1y3j n ARG 26 N -4.51 0.08 0.24 1.13 1.74 -0.51 -0.92 116.66 113.92 1y3j n ARG 26 Ca 0.14 0.44 0.16 0.00 -0.77 0.00 0.00 57.85 57.82 1y3j n ARG 26 Cb 0.26 -1.70 0.76 0.00 -1.02 0.00 0.00 32.46 30.75 1y3j n ARG 26 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1y3j h ARG 27 N 0.00 0.00 -3.78 5.56 0.11 -0.87 -3.41 114.38 111.99 1y3j h ARG 27 Ca 0.00 0.00 -0.76 0.00 0.10 0.00 0.00 59.98 59.32 1y3j h ARG 27 Cb 0.17 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 30.96 1y3j h ARG 27 CO 0.00 0.00 -0.07 -1.21 0.10 0.00 0.00 179.97 178.79 1y3j s GLU 28 N -3.68 3.23 0.10 0.08 2.02 -0.09 -5.03 118.70 115.32 1y3j s GLU 28 Ca -0.00 -2.44 -0.35 0.00 0.02 0.00 0.00 54.97 52.20 1y3j s GLU 28 Cb 0.10 -4.19 -0.18 0.00 0.10 0.00 0.00 34.13 29.95 1y3j s GLU 28 CO 0.42 -1.25 1.04 -1.91 0.02 0.00 0.00 175.26 173.57 1y3j n GLU 29 N 3.89 0.50 0.00 1.61 4.07 -1.26 -0.86 120.64 128.60 1y3j n GLU 29 Ca 0.10 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 1y3j n GLU 29 Cb 0.44 -1.61 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 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 1.88 2.53 3.69 8.31 0.00 -1.26 -4.73 105.19 115.61 1y3j n GLY 30 Ca 0.18 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.00 4.89 -0.28 -0.61 1.01 -0.04 -2.45 121.20 122.72 1y3j s ILE 31 Ca 0.00 1.77 0.18 0.00 0.00 0.00 0.00 60.65 62.60 1y3j s ILE 31 Cb 0.00 -4.19 0.49 0.00 0.01 0.00 0.00 42.46 38.77 1y3j s ILE 31 CO 0.00 0.09 1.10 -1.22 0.00 0.00 0.00 174.94 174.91 1y3j n TYR 32 N 4.66 1.66 -3.64 3.97 4.01 0.79 -4.92 117.16 123.69 1y3j n TYR 32 Ca 0.05 -2.31 -0.08 0.00 -0.16 0.00 0.00 57.90 55.40 1y3j n TYR 32 Cb 0.50 -0.27 -0.07 0.00 -0.31 0.00 0.00 39.34 39.19 1y3j n TYR 32 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1y3j s SER 33 N -3.65 -0.49 0.12 7.72 0.15 -0.23 -4.70 113.70 112.63 1y3j s SER 33 Ca 0.33 0.90 -0.30 0.00 0.70 0.00 0.00 55.95 57.58 1y3j s SER 33 Cb 0.36 0.97 -0.06 0.00 -1.71 0.00 0.00 66.02 65.59 1y3j s SER 33 CO -0.02 -0.15 1.00 0.27 1.20 0.00 0.00 173.24 175.54 1y3j s ILE 34 N 0.49 4.36 -1.46 6.45 -0.00 -1.26 -2.38 121.20 127.40 1y3j s ILE 34 Ca 0.00 1.96 -0.13 0.00 -0.00 0.00 0.00 60.65 62.48 1y3j s ILE 34 Cb -0.05 -4.25 0.04 0.00 -0.00 0.00 0.00 42.46 38.20 1y3j s ILE 34 CO -0.08 0.30 2.31 0.00 -0.00 0.00 0.00 174.94 177.46 1y3j n LEU 35 N 2.78 7.17 -4.08 0.37 -0.00 -1.24 -4.44 117.00 117.57 1y3j n LEU 35 Ca 0.03 -4.25 -0.21 0.00 -0.00 0.00 0.00 56.01 51.57 1y3j n LEU 35 Cb 0.48 -1.62 -0.15 0.00 -0.00 0.00 0.00 43.42 42.14 1y3j n LEU 35 CO 0.52 1.31 -0.46 -0.69 -0.00 0.00 0.00 177.39 178.07 1y3j s VAL 36 N 2.62 0.98 -0.46 1.47 1.01 -1.26 -3.88 120.40 120.88 1y3j s VAL 36 Ca 0.50 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1y3j s VAL 36 Cb 0.14 -0.82 0.23 0.00 0.00 0.00 0.00 36.38 35.93 1y3j s VAL 36 CO -0.07 0.28 0.69 0.00 0.00 0.00 0.00 175.10 176.00 1y3j n ALA 37 N 2.83 0.10 -0.30 5.51 0.00 0.13 -4.51 120.51 124.27 1y3j n ALA 37 Ca -0.14 -2.11 0.13 0.00 0.00 0.00 0.00 53.44 51.31 1y3j n ALA 37 Cb 0.55 -1.15 0.29 0.00 0.00 0.00 0.00 19.45 19.15 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 4.35 0.16 -3.24 0.00 -0.00 -1.94 0.22 115.31 114.87 1y3j h LEU 38 Ca -0.00 0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 58.01 1y3j h LEU 38 Cb 0.99 0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 1y3j h LEU 38 CO 0.32 -0.08 -0.09 1.15 -0.00 0.00 0.00 178.44 179.74 1y3j n MET 39 N -5.13 1.22 0.00 0.17 0.00 -1.26 -1.76 117.12 110.36 1y3j n MET 39 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.68 1y3j n MET 39 Cb 0.66 -1.23 0.00 0.00 0.00 0.00 0.00 33.22 32.64 1y3j n MET 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1y3j n ALA 40 N 1.74 0.00 -0.16 3.17 0.00 -1.18 -5.04 120.51 119.03 1y3j n ALA 40 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1y3j n ALA 40 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1y3j n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y3j n GLY 41 N -0.63 0.50 3.61 0.00 0.00 0.55 -5.10 105.19 104.13 1y3j n GLY 41 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 0.60 2.11 -0.16 1.61 1.02 0.16 -4.50 119.74 120.58 1y3j s LYS 42 Ca 0.00 -1.69 -0.10 0.00 0.02 0.00 0.00 55.97 54.20 1y3j s LYS 42 Cb 0.00 0.52 0.05 0.00 -0.52 0.00 0.00 37.83 37.88 1y3j s LYS 42 CO 0.00 -0.93 0.40 0.00 -0.92 0.00 0.00 175.35 173.90 1y3j s ALA 43 N -2.58 -1.01 -0.26 5.17 0.00 -0.52 0.19 121.76 122.74 1y3j s ALA 43 Ca 0.25 1.43 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 1y3j s ALA 43 Cb -0.02 -0.87 0.09 0.00 0.00 0.00 0.00 23.12 22.32 1y3j s ALA 43 CO 0.18 -0.25 0.10 -1.83 0.00 0.00 0.00 175.76 173.96 1y3j s GLU 44 N 1.19 0.42 0.32 0.00 -1.05 -1.25 -0.26 118.70 118.06 1y3j s GLU 44 Ca -0.08 -0.62 -0.21 0.00 -0.15 0.00 0.00 54.97 53.91 1y3j s GLU 44 Cb -0.08 -1.66 -0.10 0.00 -0.44 0.00 0.00 34.13 31.86 1y3j s GLU 44 CO -0.10 -0.90 0.85 0.54 0.95 0.00 0.00 175.26 176.59 1y3j s VAL 45 N 1.92 4.44 -0.14 1.83 0.11 -0.36 -3.67 120.40 124.52 1y3j s VAL 45 Ca 0.07 1.42 0.02 0.00 -2.93 0.00 0.00 61.98 60.56 1y3j s VAL 45 Cb -0.17 -3.79 0.02 0.00 -1.53 0.00 0.00 36.38 30.91 1y3j s VAL 45 CO -0.25 -0.02 -0.18 -0.60 -3.33 0.00 0.00 175.10 170.72 1y3j s ARG 46 N -2.50 2.60 0.34 1.54 3.52 -1.00 -1.96 118.95 121.49 1y3j s ARG 46 Ca 0.52 -0.69 -0.18 0.00 -0.13 0.00 0.00 55.73 55.25 1y3j s ARG 46 Cb -0.14 -2.21 0.04 0.00 -1.56 0.00 0.00 34.95 31.09 1y3j s ARG 46 CO 0.19 -0.11 0.77 1.52 -0.81 0.00 0.00 175.30 176.86 1y3j s TYR 47 N 1.09 -0.01 -0.25 5.12 1.13 0.16 -0.15 117.35 124.46 1y3j s TYR 47 Ca -0.02 -0.58 -0.05 0.00 -1.41 0.00 0.00 57.07 55.01 1y3j s TYR 47 Cb -0.14 0.78 -0.00 0.00 -1.10 0.00 0.00 41.96 41.50 1y3j s TYR 47 CO -0.05 -1.42 0.01 0.54 -2.51 0.00 0.00 175.55 172.11 1y3j s ASN 48 N -3.02 4.66 0.00 -0.18 2.20 -1.03 -0.21 114.94 117.37 1y3j s ASN 48 Ca 0.14 -0.51 0.00 0.00 -0.94 0.00 0.00 52.86 51.55 1y3j s ASN 48 Cb -0.05 -1.80 0.00 0.00 -2.00 0.00 0.00 41.25 37.40 1y3j s ASN 48 CO 0.09 -0.08 0.51 -0.81 -2.94 0.00 0.00 177.10 173.87 1y3j n PRO 49 N 4.82 0.74 -0.07 3.55 -0.04 -1.26 -2.98 135.00 139.76 1y3j n PRO 49 Ca -0.17 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.14 1y3j n PRO 49 Cb 0.50 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.32 2.04 0.02 0.55 0.00 -1.26 -4.34 120.51 117.84 1y3j n ALA 50 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 1y3j n ALA 50 Cb 0.26 0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.49 1.18 0.00 0.00 2.07 -1.92 -3.42 116.25 113.68 1y3j h VAL 51 Ca -0.37 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1y3j h VAL 51 Cb 1.33 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1y3j h VAL 51 CO -0.21 0.16 -0.64 0.00 0.02 0.00 0.00 177.57 176.90 1y3j n ILE 52 N -4.97 1.08 -0.03 4.57 0.13 -1.24 -5.02 119.36 113.88 1y3j n ILE 52 Ca -0.08 0.24 0.00 0.00 -1.10 0.00 0.00 62.75 61.81 1y3j n ILE 52 Cb 0.16 -2.04 0.00 0.00 -0.84 0.00 0.00 39.64 36.93 1y3j n ILE 52 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1y3j n GLN 53 N -3.85 0.00 -0.27 9.51 1.13 -1.26 -4.58 117.38 118.06 1y3j n GLN 53 Ca -0.09 0.03 -0.01 0.00 -1.94 0.00 0.00 57.00 54.99 1y3j n GLN 53 Cb 0.33 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.74 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 -0.05 -0.60 -1.09 0.11 -1.95 0.89 132.00 129.30 1y3j h PRO 54 Ca 0.00 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.22 1y3j h PRO 54 Cb 0.00 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.04 1y3j h PRO 54 CO 0.00 -0.03 0.16 -1.00 -0.21 0.00 0.00 178.00 176.92 1y3j h PRO 55 N -0.05 0.30 -0.27 1.05 0.13 -1.99 -0.01 132.00 131.15 1y3j h PRO 55 Ca 0.33 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.42 1y3j h PRO 55 Cb 0.57 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1y3j h PRO 55 CO -0.79 0.20 0.07 0.52 -0.23 0.00 0.00 178.00 177.76 1y3j h MET 56 N 0.31 0.43 -0.01 0.86 2.86 -1.15 0.83 114.93 119.06 1y3j h MET 56 Ca 0.31 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1y3j h MET 56 Cb 0.44 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1y3j h MET 56 CO -0.37 0.52 0.01 -0.84 1.06 0.00 0.00 176.91 177.28 1y3j h ILE 57 N 0.27 1.01 -0.61 -1.22 3.07 -0.79 0.81 117.51 120.05 1y3j h ILE 57 Ca 0.09 -0.03 0.12 0.00 1.55 0.00 0.00 64.86 66.59 1y3j h ILE 57 Cb 0.27 1.01 -0.11 0.00 -0.27 0.00 0.00 36.82 37.72 1y3j h ILE 57 CO 0.00 0.01 -0.12 0.00 -1.05 0.00 0.00 178.15 176.99 1y3j h ALA 58 N 0.99 0.45 0.65 0.16 0.00 -0.77 -2.26 119.26 118.49 1y3j h ALA 58 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y3j h ALA 58 Cb 0.01 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1y3j h ALA 58 CO -0.00 -0.42 -0.31 0.93 0.00 0.00 0.00 179.25 179.44 1y3j h GLU 59 N 0.02 -0.85 -0.61 0.00 4.39 -0.53 -3.01 114.58 113.99 1y3j h GLU 59 Ca 0.30 0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.18 1y3j h GLU 59 Cb 0.47 0.19 -0.12 0.00 -0.10 0.00 0.00 28.75 29.19 1y3j h GLU 59 CO -0.61 -0.54 -0.16 0.74 -1.16 0.00 0.00 179.01 177.29 1y3j h PHE 60 N -0.98 -0.33 -0.81 4.33 -1.00 -0.36 0.51 116.94 118.30 1y3j h PHE 60 Ca -0.09 0.06 0.14 0.00 2.81 0.00 0.00 57.97 60.89 1y3j h PHE 60 Cb 0.70 0.24 -0.09 0.00 3.61 0.00 0.00 35.95 40.41 1y3j h PHE 60 CO -0.01 -0.27 0.39 0.82 -1.61 0.00 0.00 178.31 177.63 1y3j h ILE 61 N -0.00 0.70 0.70 -0.55 2.04 -1.47 -1.80 117.51 117.14 1y3j h ILE 61 Ca 0.29 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1y3j h ILE 61 Cb 0.45 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1y3j h ILE 61 CO -0.63 0.10 -0.34 0.03 0.00 0.00 0.00 178.15 177.31 1y3j h ARG 62 N 0.55 -0.91 -0.66 2.37 3.08 0.02 0.25 114.38 119.08 1y3j h ARG 62 Ca 0.44 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.67 1y3j h ARG 62 Cb 0.65 0.21 -0.12 0.00 0.08 0.00 0.00 29.97 30.78 1y3j h ARG 62 CO -0.38 -0.59 -0.36 0.93 -1.07 0.00 0.00 179.97 178.50 1y3j h GLU 63 N -1.21 -0.14 0.00 0.04 5.08 -0.26 0.62 114.58 118.71 1y3j h GLU 63 Ca -0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1y3j h GLU 63 Cb 0.74 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1y3j h GLU 63 CO 0.16 -0.09 -0.29 1.47 -1.00 0.00 0.00 179.01 179.25 1y3j n LEU 64 N -5.43 0.60 0.00 1.33 -0.00 -0.72 -4.94 117.00 107.83 1y3j n LEU 64 Ca 0.05 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 1y3j n LEU 64 Cb 0.36 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1y3j n LEU 64 CO -0.02 -0.06 0.00 0.61 -0.00 0.00 0.00 177.39 177.91 1y3j n GLY 65 N 1.38 -0.60 3.02 1.47 0.00 0.21 -5.09 105.19 105.58 1y3j n GLY 65 Ca 0.05 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.57 -0.29 1.61 0.08 0.80 -4.88 117.98 115.87 1y3j s PHE 66 Ca 0.00 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.38 1y3j s PHE 66 Cb 0.00 -0.35 -0.06 0.00 -0.57 0.00 0.00 43.02 42.04 1y3j s PHE 66 CO 0.00 -0.07 2.26 0.41 -0.10 0.00 0.00 175.22 177.72 1y3j n GLY 67 N 1.89 0.81 3.31 4.36 0.00 -1.26 -3.12 105.19 111.16 1y3j n GLY 67 Ca -0.20 0.78 -0.33 0.00 0.00 0.00 0.00 46.02 46.28 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 8.89 2.43 -0.07 4.61 0.00 -1.26 -0.60 121.76 135.76 1y3j s ALA 68 Ca 1.02 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1y3j s ALA 68 Cb -0.38 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.71 1y3j s ALA 68 CO 0.35 0.27 -0.13 0.99 0.00 0.00 0.00 175.76 177.25 1y3j s THR 69 N 0.34 1.18 0.20 0.00 2.01 0.23 -4.94 115.64 114.67 1y3j s THR 69 Ca -0.14 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.09 1y3j s THR 69 Cb -0.17 -1.08 -0.08 0.00 0.01 0.00 0.00 72.50 71.17 1y3j s THR 69 CO 0.07 0.37 0.84 0.54 -0.69 0.00 0.00 174.62 175.75 1y3j s VAL 70 N 0.72 4.25 -0.03 3.82 0.11 -1.26 -0.35 120.40 127.66 1y3j s VAL 70 Ca -0.13 1.84 -0.04 0.00 -2.93 0.00 0.00 61.98 60.71 1y3j s VAL 70 Cb -0.16 -4.20 0.01 0.00 -1.53 0.00 0.00 36.38 30.50 1y3j s VAL 70 CO 0.03 0.49 0.11 -0.63 -3.33 0.00 0.00 175.10 171.77 1y3j s ILE 71 N -1.20 0.03 0.13 7.04 1.01 0.34 -4.90 121.20 123.65 1y3j s ILE 71 Ca 0.39 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 1y3j s ILE 71 Cb -0.24 -0.24 0.05 0.00 0.01 0.00 0.00 42.46 42.05 1y3j s ILE 71 CO 0.28 -0.13 0.50 -1.83 0.00 0.00 0.00 174.94 173.76 1y3j s GLU 72 N -0.41 1.15 -0.00 2.79 -1.05 -1.26 -0.85 118.70 119.07 1y3j s GLU 72 Ca -0.05 -0.53 -0.15 0.00 -0.15 0.00 0.00 54.97 54.09 1y3j s GLU 72 Cb -0.03 0.52 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 1y3j s GLU 72 CO 0.00 -0.47 0.33 -0.80 0.95 0.00 0.00 175.26 175.27 1y3j s ASN 73 N -2.64 -0.20 -0.00 0.83 0.01 -1.26 -5.06 114.94 106.62 1y3j s ASN 73 Ca 0.01 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.22 1y3j s ASN 73 Cb 0.00 0.33 -0.00 0.00 0.41 0.00 0.00 41.25 41.99 1y3j s ASN 73 CO -0.11 -0.50 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.33 1y3j s ILE 74 N -1.61 0.21 0.00 0.60 -1.09 -1.26 -5.02 121.20 113.02 1y3j s ILE 74 Ca -0.11 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 1y3j s ILE 74 Cb -0.04 -0.19 0.00 0.00 -1.58 0.00 0.00 42.46 40.65 1y3j s ILE 74 CO 0.03 0.03 0.00 -0.62 -1.23 0.00 0.00 174.94 173.15 1y3j n GLU 75 N 2.94 0.00 -3.58 2.79 4.71 -1.26 -4.87 120.64 121.37 1y3j n GLU 75 Ca -0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 56.94 1y3j n GLU 75 Cb 0.59 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.98 1y3j n GLU 75 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1y3j s GLY 76 N -0.09 -0.25 0.00 0.62 0.00 -1.26 -5.38 107.32 100.97 1y3j s GLY 76 Ca 0.00 1.94 0.00 0.00 0.00 0.00 0.00 44.72 46.66 1y3j s GLY 76 CO 0.00 0.87 0.00 -2.13 0.00 0.00 0.00 173.10 171.84