#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 -5.06 -3.77 0.53 3.41 -1.26 -5.07 113.62 102.40 1y3j n SER 2 Ca 0.00 0.75 -0.10 0.00 -0.26 0.00 0.00 58.87 59.26 1y3j n SER 2 Cb 0.00 -2.21 -0.07 0.00 -0.26 0.00 0.00 64.21 61.67 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 -3.09 -0.06 0.03 4.04 0.01 0.13 -4.94 113.70 109.82 1y3j s SER 3 Ca 0.00 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.88 1y3j s SER 3 Cb 0.00 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1y3j s SER 3 CO 0.00 -0.71 0.10 -0.54 0.41 0.00 0.00 173.24 172.51 1y3j s LYS 4 N -3.29 3.08 -0.02 12.44 1.02 -1.26 -0.92 119.74 130.79 1y3j s LYS 4 Ca 0.00 -0.53 -0.20 0.00 0.02 0.00 0.00 55.97 55.26 1y3j s LYS 4 Cb 0.02 -2.86 0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1y3j s LYS 4 CO -0.08 0.62 0.44 0.00 -0.92 0.00 0.00 175.35 175.41 1y3j s TYR 6 N -1.40 2.79 -0.20 0.00 1.51 -1.24 -1.01 117.35 117.80 1y3j s TYR 6 Ca -0.12 -0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 1y3j s TYR 6 Cb -0.03 -1.53 0.07 0.00 -0.11 0.00 0.00 41.96 40.36 1y3j s TYR 6 CO 0.05 0.37 0.09 0.96 -1.11 0.00 0.00 175.55 175.92 1y3j s ILE 7 N -1.06 0.00 -0.17 2.71 -4.36 -0.12 -0.28 121.20 117.92 1y3j s ILE 7 Ca 0.18 -0.35 -0.27 0.00 -0.26 0.00 0.00 60.65 59.95 1y3j s ILE 7 Cb -0.11 -0.73 -0.01 0.00 1.25 0.00 0.00 42.46 42.86 1y3j s ILE 7 CO 0.09 -0.37 0.90 -1.58 0.24 0.00 0.00 174.94 174.22 1y3j s GLN 8 N 2.09 4.31 0.39 0.37 2.00 0.46 -0.03 119.66 129.25 1y3j s GLN 8 Ca 0.03 1.15 -0.06 0.00 -2.00 0.00 0.00 55.36 54.48 1y3j s GLN 8 Cb -0.16 -3.59 -0.05 0.00 0.80 0.00 0.00 33.01 30.02 1y3j s GLN 8 CO -0.15 -0.40 0.68 0.54 -0.50 0.00 0.00 175.29 175.47 1y3j s VAL 9 N 2.37 4.94 -0.20 1.34 0.11 -1.26 -0.54 120.40 127.15 1y3j s VAL 9 Ca 0.41 0.17 0.15 0.00 -2.93 0.00 0.00 61.98 59.78 1y3j s VAL 9 Cb -0.17 -3.80 0.53 0.00 -1.53 0.00 0.00 36.38 31.42 1y3j s VAL 9 CO 0.12 -0.58 1.44 1.07 -3.33 0.00 0.00 175.10 173.81 1y3j n THR 10 N -1.60 2.35 -3.63 5.04 5.66 -1.24 -4.73 114.28 116.13 1y3j n THR 10 Ca -0.00 -2.02 -0.18 0.00 -3.05 0.00 0.00 64.05 58.80 1y3j n THR 10 Cb 0.55 -0.27 -0.15 0.00 -1.55 0.00 0.00 70.33 68.90 1y3j n THR 10 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1y3j s GLY 11 N -2.03 0.07 -0.12 1.09 0.00 -1.26 -4.96 107.32 100.12 1y3j s GLY 11 Ca 0.43 0.42 -0.08 0.00 0.00 0.00 0.00 44.72 45.50 1y3j s GLY 11 CO 0.07 1.76 -0.15 -0.13 0.00 0.00 0.00 173.10 174.66 1y3j n MET 12 N 5.32 0.37 -1.00 2.90 1.56 -1.26 -4.54 117.12 120.46 1y3j n MET 12 Ca -0.05 0.48 -0.13 0.00 -0.27 0.00 0.00 57.70 57.73 1y3j n MET 12 Cb 0.50 -1.53 -0.11 0.00 2.15 0.00 0.00 33.22 34.23 1y3j n MET 12 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1y3j n THR 13 N -4.20 2.89 0.05 1.12 5.66 -1.26 -4.07 114.28 114.48 1y3j n THR 13 Ca -0.06 -1.62 -0.20 0.00 -3.05 0.00 0.00 64.05 59.12 1y3j n THR 13 Cb 0.22 -1.82 -0.14 0.00 -1.55 0.00 0.00 70.33 67.04 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 -2.66 0.00 -1.30 0.00 0.00 -1.26 -4.96 120.51 110.34 1y3j n ALA 15 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 1y3j n ALA 15 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 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 0.00 8.25 -0.27 0.00 7.64 -1.26 -4.63 113.62 123.35 1y3j n SER 16 Ca 0.00 -2.57 0.08 0.00 1.01 0.00 0.00 58.87 57.39 1y3j n SER 16 Cb 0.00 -1.53 0.22 0.00 -1.01 0.00 0.00 64.21 61.89 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 0.30 0.00 -0.81 0.00 3.04 -1.95 0.19 116.25 117.01 1y3j h VAL 18 Ca 0.46 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 66.30 1y3j h VAL 18 Cb 0.83 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 30.05 1y3j h VAL 18 CO -0.53 0.00 0.53 0.00 -1.01 0.00 0.00 177.57 176.57 1y3j h ALA 19 N -1.07 1.98 0.72 3.17 0.00 -1.63 0.27 119.26 122.70 1y3j h ALA 19 Ca -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1y3j h ALA 19 Cb 0.75 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1y3j h ALA 19 CO -0.04 -0.20 -0.35 -0.97 0.00 0.00 0.00 179.25 177.70 1y3j h ASN 20 N 0.54 -0.82 -0.40 0.00 -1.24 -0.42 -3.17 115.58 110.08 1y3j h ASN 20 Ca 0.40 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.48 1y3j h ASN 20 Cb 0.78 0.21 -0.06 0.00 0.73 0.00 0.00 38.32 39.98 1y3j h ASN 20 CO -0.16 -0.48 0.05 0.40 -1.29 0.00 0.00 177.43 175.95 1y3j h ILE 21 N -1.15 0.75 -0.91 2.57 5.03 0.17 0.18 117.51 124.15 1y3j h ILE 21 Ca -0.10 -0.06 0.25 0.00 -0.12 0.00 0.00 64.86 64.84 1y3j h ILE 21 Cb 0.76 0.58 -0.14 0.00 -3.03 0.00 0.00 36.82 34.99 1y3j h ILE 21 CO 0.16 0.03 0.35 -0.33 -0.68 0.00 0.00 178.15 177.68 1y3j h GLU 22 N 0.16 0.27 -0.09 2.37 5.08 -0.69 0.52 114.58 122.21 1y3j h GLU 22 Ca 0.19 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1y3j h GLU 22 Cb 0.26 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1y3j h GLU 22 CO -0.29 0.18 -0.19 0.00 -1.00 0.00 0.00 179.01 177.72 1y3j h ARG 23 N 0.28 0.28 -0.45 2.33 -0.00 -1.14 -3.37 114.38 112.31 1y3j h ARG 23 Ca 0.59 -0.18 0.06 0.00 -0.50 0.00 0.00 59.98 59.95 1y3j h ARG 23 Cb 1.22 0.02 -0.05 0.00 0.00 0.00 0.00 29.97 31.16 1y3j h ARG 23 CO -0.61 0.78 0.13 -2.95 0.00 0.00 0.00 179.97 177.32 1y3j h ASN 24 N -0.19 0.11 1.56 7.04 -0.00 0.29 -2.58 115.58 121.81 1y3j h ASN 24 Ca 0.00 0.06 -0.07 0.00 -0.00 0.00 0.00 56.30 56.29 1y3j h ASN 24 Cb 0.78 0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 39.15 1y3j h ASN 24 CO 0.04 0.09 -0.34 -0.07 -0.00 0.00 0.00 177.43 177.15 1y3j h LEU 25 N 0.29 0.00 0.00 6.14 4.07 -1.39 -3.35 115.31 121.07 1y3j h LEU 25 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1y3j h LEU 25 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1y3j h LEU 25 CO -0.24 0.34 0.00 0.54 -1.08 0.00 0.00 178.44 178.00 1y3j n ARG 26 N -3.21 0.00 -0.41 1.13 1.74 -0.97 -2.02 116.66 112.92 1y3j n ARG 26 Ca 0.02 0.00 0.36 0.00 -0.77 0.00 0.00 57.85 57.47 1y3j n ARG 26 Cb 0.65 -1.39 0.70 0.00 -1.02 0.00 0.00 32.46 31.40 1y3j n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y3j h ARG 27 N 0.00 0.09 0.00 5.56 3.08 -1.76 -3.48 114.38 117.87 1y3j h ARG 27 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1y3j h ARG 27 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1y3j h ARG 27 CO 0.00 0.06 0.00 0.39 -1.07 0.00 0.00 179.97 179.35 1y3j n GLU 28 N -4.31 0.00 -3.40 0.04 -0.58 -0.86 -4.96 120.64 106.58 1y3j n GLU 28 Ca 0.31 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.87 1y3j n GLU 28 Cb 1.34 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 32.29 1y3j n GLU 28 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1y3j n GLU 29 N 0.00 -4.55 0.00 3.49 2.13 -1.26 -4.27 120.64 116.18 1y3j n GLU 29 Ca 0.00 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1y3j n GLU 29 Cb 0.00 -5.71 0.00 0.00 0.27 0.00 0.00 31.44 26.00 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y3j n GLY 30 N -1.24 2.56 3.85 8.31 0.00 -1.26 -4.44 105.19 112.96 1y3j n GLY 30 Ca -0.20 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 4.58 -0.19 -0.61 1.09 -1.26 -0.21 121.20 124.60 1y3j s ILE 31 Ca 0.00 1.11 0.15 0.00 -1.10 0.00 0.00 60.65 60.80 1y3j s ILE 31 Cb 0.00 -3.70 0.34 0.00 -1.06 0.00 0.00 42.46 38.04 1y3j s ILE 31 CO 0.00 -0.58 1.25 -1.22 -0.10 0.00 0.00 174.94 174.29 1y3j n TYR 32 N -1.34 -0.41 -3.54 3.97 4.01 0.83 -4.81 117.16 115.87 1y3j n TYR 32 Ca 0.06 -1.34 -0.07 0.00 -0.16 0.00 0.00 57.90 56.38 1y3j n TYR 32 Cb 0.54 0.58 -0.02 0.00 -0.31 0.00 0.00 39.34 40.13 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 -1.93 -0.32 -0.01 7.72 0.01 -1.07 -4.76 113.70 113.33 1y3j s SER 33 Ca 0.16 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1y3j s SER 33 Cb 0.30 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.94 1y3j s SER 33 CO -0.08 -0.64 0.02 -0.51 0.41 0.00 0.00 173.24 172.43 1y3j s ILE 34 N -3.11 -0.03 0.18 1.44 1.10 -1.26 -4.17 121.20 115.35 1y3j s ILE 34 Ca 0.06 0.14 -0.19 0.00 -0.51 0.00 0.00 60.65 60.15 1y3j s ILE 34 Cb -0.01 -0.06 0.07 0.00 0.15 0.00 0.00 42.46 42.61 1y3j s ILE 34 CO -0.07 0.06 0.94 0.00 -2.11 0.00 0.00 174.94 173.75 1y3j n LEU 35 N 3.78 0.00 -3.64 8.50 -0.00 -1.26 -4.73 117.00 119.66 1y3j n LEU 35 Ca -0.22 -1.43 -0.06 0.00 -0.00 0.00 0.00 56.01 54.29 1y3j n LEU 35 Cb 0.54 2.67 -0.07 0.00 -0.00 0.00 0.00 43.42 46.56 1y3j n LEU 35 CO 0.23 -0.48 0.32 -0.69 -0.00 0.00 0.00 177.39 176.78 1y3j s VAL 36 N -2.10 -0.15 -1.46 1.47 1.01 -1.26 -3.68 120.40 114.22 1y3j s VAL 36 Ca 0.21 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 1y3j s VAL 36 Cb -0.03 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1y3j s VAL 36 CO 0.06 0.00 2.49 0.00 0.00 0.00 0.00 175.10 177.65 1y3j n ALA 37 N 4.49 6.62 0.15 5.51 0.00 0.37 -4.74 120.51 132.91 1y3j n ALA 37 Ca -0.19 -3.87 0.06 0.00 0.00 0.00 0.00 53.44 49.44 1y3j n ALA 37 Cb 0.57 -3.19 0.54 0.00 0.00 0.00 0.00 19.45 17.37 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 7.36 0.20 -1.32 0.00 6.46 -1.95 0.25 115.31 126.32 1y3j h LEU 38 Ca 0.69 -0.01 0.16 0.00 -0.12 0.00 0.00 57.88 58.60 1y3j h LEU 38 Cb 0.41 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.22 1y3j h LEU 38 CO 1.70 0.16 0.58 0.24 -0.62 0.00 0.00 178.44 180.50 1y3j h MET 39 N 0.24 0.62 -0.34 1.25 2.86 -1.88 0.17 114.93 117.85 1y3j h MET 39 Ca 0.06 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1y3j h MET 39 Cb 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1y3j h MET 39 CO -0.01 0.41 0.00 0.00 1.06 0.00 0.00 176.91 178.37 1y3j n ALA 40 N -2.44 2.46 -3.22 6.32 0.00 0.84 -4.95 120.51 119.52 1y3j n ALA 40 Ca 0.18 -0.72 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 1y3j n ALA 40 Cb 0.51 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 19.02 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 1.22 -0.24 3.51 0.00 0.00 0.60 -4.96 105.19 105.32 1y3j n GLY 41 Ca 0.16 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1y3j n GLY 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y3j s LYS 42 N -5.87 1.00 0.55 1.61 2.20 -1.15 -4.30 119.74 113.77 1y3j s LYS 42 Ca 0.40 0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.97 1y3j s LYS 42 Cb -0.18 0.47 -0.05 0.00 -1.51 0.00 0.00 37.83 36.56 1y3j s LYS 42 CO 0.49 -0.35 0.95 0.00 -0.36 0.00 0.00 175.35 176.09 1y3j s ALA 43 N -1.75 3.16 0.15 3.13 0.00 0.96 -0.48 121.76 126.93 1y3j s ALA 43 Ca -0.06 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 51.86 1y3j s ALA 43 Cb -0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1y3j s ALA 43 CO 0.03 -0.45 -0.13 -2.00 0.00 0.00 0.00 175.76 173.22 1y3j s GLU 44 N -4.68 1.10 -0.16 0.00 -6.30 -1.24 -0.95 118.70 106.47 1y3j s GLU 44 Ca 0.54 -1.38 -0.14 0.00 -2.50 0.00 0.00 54.97 51.50 1y3j s GLU 44 Cb -0.11 -0.87 0.05 0.00 0.00 0.00 0.00 34.13 33.20 1y3j s GLU 44 CO 0.44 0.15 0.43 0.54 0.02 0.00 0.00 175.26 176.84 1y3j s VAL 45 N -2.66 -0.00 -0.15 3.70 0.11 -0.18 -4.09 120.40 117.12 1y3j s VAL 45 Ca 0.14 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.15 1y3j s VAL 45 Cb -0.02 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1y3j s VAL 45 CO 0.03 0.01 0.05 -0.13 -3.33 0.00 0.00 175.10 171.73 1y3j s ARG 46 N 0.45 3.70 0.24 1.54 0.52 -1.26 -0.60 118.95 123.55 1y3j s ARG 46 Ca -0.02 -0.35 -0.19 0.00 -0.52 0.00 0.00 55.73 54.66 1y3j s ARG 46 Cb -0.04 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.35 1y3j s ARG 46 CO -0.02 0.41 0.61 1.52 0.02 0.00 0.00 175.30 177.84 1y3j s TYR 47 N -0.03 -0.10 -0.42 -0.53 1.13 -0.10 -0.12 117.35 117.18 1y3j s TYR 47 Ca 0.06 -0.29 0.01 0.00 -1.41 0.00 0.00 57.07 55.44 1y3j s TYR 47 Cb -0.12 0.51 0.11 0.00 -1.10 0.00 0.00 41.96 41.37 1y3j s TYR 47 CO 0.01 -1.07 0.18 1.21 -2.51 0.00 0.00 175.55 173.37 1y3j s ASN 48 N -2.91 4.92 -0.97 -0.18 2.47 0.71 0.19 114.94 119.17 1y3j s ASN 48 Ca 0.12 -2.32 -0.21 0.00 0.42 0.00 0.00 52.86 50.87 1y3j s ASN 48 Cb -0.03 -1.73 -0.11 0.00 -1.45 0.00 0.00 41.25 37.94 1y3j s ASN 48 CO 0.03 -0.41 1.96 -0.81 -3.72 0.00 0.00 177.10 174.15 1y3j n PRO 49 N 4.12 1.81 0.13 0.43 -0.04 -1.26 -3.04 135.00 137.14 1y3j n PRO 49 Ca 0.02 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1y3j n PRO 49 Cb 0.40 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 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 8.50 1.87 0.20 0.55 0.00 -1.26 -4.83 120.51 125.54 1y3j n ALA 50 Ca 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.79 1y3j n ALA 50 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 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 0.46 0.00 0.00 2.07 -1.90 -3.42 116.25 113.46 1y3j h VAL 51 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1y3j h VAL 51 Cb 0.00 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1y3j h VAL 51 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1y3j n ILE 52 N -5.38 0.00 0.00 4.57 0.13 -1.24 -4.97 119.36 112.47 1y3j n ILE 52 Ca -0.09 0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.81 1y3j n ILE 52 Cb 0.29 -1.10 0.00 0.00 -0.84 0.00 0.00 39.64 37.99 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 -1.78 0.00 -0.27 9.51 3.00 -1.26 -4.50 117.38 122.09 1y3j n GLN 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1y3j n GLN 53 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.31 1y3j n GLN 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 1y3j h PRO 54 N 0.00 -0.03 -0.42 -1.09 0.11 -1.96 0.24 132.00 128.85 1y3j h PRO 54 Ca 0.00 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.19 1y3j h PRO 54 Cb 0.00 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 1y3j h PRO 54 CO 0.00 -0.02 -0.40 -1.00 -0.21 0.00 0.00 178.00 176.37 1y3j h PRO 55 N -0.03 -0.29 -0.66 1.05 0.13 -1.99 0.48 132.00 130.69 1y3j h PRO 55 Ca 0.35 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.51 1y3j h PRO 55 Cb 0.57 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.73 1y3j h PRO 55 CO -0.80 -0.19 0.44 0.52 -0.23 0.00 0.00 178.00 177.74 1y3j h MET 56 N -0.30 0.82 -0.28 0.86 2.86 -0.91 0.64 114.93 118.63 1y3j h MET 56 Ca 0.15 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1y3j h MET 56 Cb 0.57 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1y3j h MET 56 CO -0.57 0.54 0.14 -0.84 1.06 0.00 0.00 176.91 177.24 1y3j h ILE 57 N 0.85 1.14 -0.17 -1.22 3.07 -0.00 0.79 117.51 121.97 1y3j h ILE 57 Ca 0.25 -0.40 0.05 0.00 1.55 0.00 0.00 64.86 66.31 1y3j h ILE 57 Cb -0.03 0.89 -0.06 0.00 -0.27 0.00 0.00 36.82 37.36 1y3j h ILE 57 CO -0.06 0.14 -0.19 0.00 -1.05 0.00 0.00 178.15 176.99 1y3j h ALA 58 N 1.00 -0.09 -0.24 0.16 0.00 0.19 -1.21 119.26 119.07 1y3j h ALA 58 Ca 0.10 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1y3j h ALA 58 Cb 0.10 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1y3j h ALA 58 CO -0.01 -0.63 0.02 0.93 0.00 0.00 0.00 179.25 179.56 1y3j h GLU 59 N -0.22 0.10 -0.77 0.00 4.39 -0.79 -0.14 114.58 117.15 1y3j h GLU 59 Ca 0.11 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.97 1y3j h GLU 59 Cb 0.38 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1y3j h GLU 59 CO -0.30 0.07 0.52 0.74 -1.16 0.00 0.00 179.01 178.88 1y3j h PHE 60 N 0.10 0.45 0.06 4.33 -1.00 -0.04 0.35 116.94 121.19 1y3j h PHE 60 Ca 0.11 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 1y3j h PHE 60 Cb 0.13 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.55 1y3j h PHE 60 CO -0.17 0.16 -0.03 0.82 -1.61 0.00 0.00 178.31 177.48 1y3j h ILE 61 N 0.38 1.24 0.00 -0.55 2.04 -0.31 -3.33 117.51 116.98 1y3j h ILE 61 Ca 0.38 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1y3j h ILE 61 Cb 0.95 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1y3j h ILE 61 CO -0.12 0.29 -0.15 0.03 0.00 0.00 0.00 178.15 178.20 1y3j h ARG 62 N -0.63 0.00 -0.55 2.37 3.08 0.83 0.21 114.38 119.70 1y3j h ARG 62 Ca -0.01 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.13 1y3j h ARG 62 Cb 0.53 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.48 1y3j h ARG 62 CO 0.01 0.15 -0.37 0.93 -1.07 0.00 0.00 179.97 179.62 1y3j h GLU 63 N 0.00 -0.20 0.00 0.04 5.08 -0.53 -3.38 114.58 115.60 1y3j h GLU 63 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1y3j h GLU 63 Cb 0.31 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1y3j h GLU 63 CO 0.02 -0.13 -0.47 1.47 -1.00 0.00 0.00 179.01 178.90 1y3j n LEU 64 N -5.42 0.00 0.00 1.33 -0.00 -1.17 -5.01 117.00 106.73 1y3j n LEU 64 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1y3j n LEU 64 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1y3j n LEU 64 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.01 1y3j n GLY 65 N 1.19 0.33 3.41 1.47 0.00 0.73 -5.14 105.19 107.18 1y3j n GLY 65 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.05 0.32 -1.40 1.61 0.08 -1.13 -4.92 117.98 113.59 1y3j s PHE 66 Ca 0.00 -0.68 -0.14 0.00 0.12 0.00 0.00 56.93 56.23 1y3j s PHE 66 Cb 0.00 0.05 0.01 0.00 -0.57 0.00 0.00 43.02 42.51 1y3j s PHE 66 CO 0.00 -0.80 2.26 0.41 -0.10 0.00 0.00 175.22 176.99 1y3j n GLY 67 N -0.27 4.20 3.78 4.36 0.00 -1.26 -3.69 105.19 112.31 1y3j n GLY 67 Ca -0.06 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 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 3.30 3.37 -0.05 4.61 0.00 -1.26 -3.73 121.76 128.00 1y3j s ALA 68 Ca 0.50 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.92 1y3j s ALA 68 Cb 0.14 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1y3j s ALA 68 CO -0.07 0.26 -0.16 -0.08 0.00 0.00 0.00 175.76 175.71 1y3j s THR 69 N -1.33 2.87 -0.12 0.00 -1.32 0.30 -4.93 115.64 111.11 1y3j s THR 69 Ca 0.41 -0.79 -0.26 0.00 -1.21 0.00 0.00 61.69 59.84 1y3j s THR 69 Cb -0.22 -2.11 -0.02 0.00 -1.51 0.00 0.00 72.50 68.65 1y3j s THR 69 CO 0.26 0.59 0.85 -0.69 -2.21 0.00 0.00 174.62 173.42 1y3j s VAL 70 N -0.67 4.90 -0.46 5.08 1.01 -1.26 -0.40 120.40 128.58 1y3j s VAL 70 Ca 0.10 1.71 0.09 0.00 0.00 0.00 0.00 61.98 63.89 1y3j s VAL 70 Cb -0.11 -4.17 0.35 0.00 0.00 0.00 0.00 36.38 32.45 1y3j s VAL 70 CO 0.00 0.08 0.84 -0.38 0.00 0.00 0.00 175.10 175.65 1y3j n ILE 71 N 4.42 1.37 -0.03 2.22 2.08 0.62 -4.77 119.36 125.27 1y3j n ILE 71 Ca 0.04 -5.01 -0.15 0.00 0.56 0.00 0.00 62.75 58.19 1y3j n ILE 71 Cb 0.49 -0.77 -0.09 0.00 -0.75 0.00 0.00 39.64 38.52 1y3j n ILE 71 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1y3j h GLU 72 N 2.98 0.37 -6.18 0.38 4.11 -1.92 -3.28 114.58 111.04 1y3j h GLU 72 Ca 0.11 -0.31 -0.28 0.00 0.07 0.00 0.00 59.36 58.95 1y3j h GLU 72 Cb 0.76 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1y3j h GLU 72 CO 0.65 0.95 -0.76 -1.71 0.07 0.00 0.00 179.01 178.21 1y3j n ASN 73 N -4.38 -6.12 -3.70 3.06 5.15 -1.26 -4.92 115.26 103.09 1y3j n ASN 73 Ca -0.08 -0.40 -0.12 0.00 -0.60 0.00 0.00 54.58 53.37 1y3j n ASN 73 Cb 0.53 -3.08 -0.06 0.00 -0.53 0.00 0.00 39.78 36.64 1y3j n ASN 73 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1y3j s ILE 74 N -2.67 0.07 0.19 -1.44 1.10 -1.26 -5.18 121.20 112.01 1y3j s ILE 74 Ca 0.10 -0.58 -0.11 0.00 -0.51 0.00 0.00 60.65 59.55 1y3j s ILE 74 Cb -0.02 -0.99 -0.00 0.00 0.15 0.00 0.00 42.46 41.60 1y3j s ILE 74 CO 0.84 -0.32 0.36 -0.70 -2.11 0.00 0.00 174.94 173.01 1y3j s GLU 75 N -2.74 1.30 0.38 3.50 2.12 -1.26 -5.14 118.70 116.85 1y3j s GLU 75 Ca -0.04 -1.18 0.00 0.00 0.36 0.00 0.00 54.97 54.11 1y3j s GLU 75 Cb -0.00 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.80 1y3j s GLU 75 CO -0.04 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.58 1y3j n GLY 76 N -0.28 -1.80 0.00 -1.50 0.00 -1.26 -5.34 105.19 95.01 1y3j n GLY 76 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1y3j n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19