#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 0.22 -0.01 1.20 0.01 -1.26 -4.18 113.70 109.68 1y3j s SER 2 Ca 0.00 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1y3j s SER 2 Cb 0.00 1.18 -0.03 0.00 0.21 0.00 0.00 66.02 67.38 1y3j s SER 2 CO 0.00 -0.34 -0.03 -0.44 0.41 0.00 0.00 173.24 172.84 1y3j s SER 3 N 2.57 4.90 0.40 2.44 0.01 0.14 -4.83 113.70 119.33 1y3j s SER 3 Ca 0.10 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1y3j s SER 3 Cb -0.13 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.86 1y3j s SER 3 CO -0.28 0.29 0.59 -0.75 0.41 0.00 0.00 173.24 173.50 1y3j s LYS 4 N -1.43 3.14 0.31 12.44 2.20 -1.26 -0.64 119.74 134.50 1y3j s LYS 4 Ca 0.18 -0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 55.04 1y3j s LYS 4 Cb -0.11 -2.66 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1y3j s LYS 4 CO 0.08 -0.10 0.59 0.00 -0.36 0.00 0.00 175.35 175.56 1y3j s TYR 6 N -3.34 2.04 -0.09 0.00 1.51 -1.26 -2.53 117.35 113.68 1y3j s TYR 6 Ca 0.21 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.83 1y3j s TYR 6 Cb -0.02 -1.27 0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1y3j s TYR 6 CO 0.12 0.03 0.22 0.42 -1.11 0.00 0.00 175.55 175.24 1y3j s ILE 7 N -0.65 -0.03 -0.13 2.71 1.01 0.12 -0.32 121.20 123.90 1y3j s ILE 7 Ca 0.09 0.11 -0.26 0.00 0.00 0.00 0.00 60.65 60.60 1y3j s ILE 7 Cb -0.09 -0.34 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 1y3j s ILE 7 CO 0.00 0.05 0.83 -1.58 0.00 0.00 0.00 174.94 174.24 1y3j s GLN 8 N 0.95 4.35 -0.42 2.79 2.00 0.47 -1.09 119.66 128.72 1y3j s GLN 8 Ca -0.07 1.04 -0.06 0.00 -2.00 0.00 0.00 55.36 54.28 1y3j s GLN 8 Cb -0.08 -3.54 0.10 0.00 0.80 0.00 0.00 33.01 30.29 1y3j s GLN 8 CO -0.06 -0.24 0.23 0.54 -0.50 0.00 0.00 175.29 175.27 1y3j s VAL 9 N 1.82 3.68 -1.19 1.34 0.11 -1.26 -0.47 120.40 124.43 1y3j s VAL 9 Ca 0.40 -1.79 -0.22 0.00 -2.93 0.00 0.00 61.98 57.44 1y3j s VAL 9 Cb -0.17 -3.40 -0.06 0.00 -1.53 0.00 0.00 36.38 31.22 1y3j s VAL 9 CO 0.15 -0.62 1.89 -0.89 -3.33 0.00 0.00 175.10 172.30 1y3j s THR 10 N 1.27 3.65 0.06 5.04 2.01 0.08 -2.37 115.64 125.37 1y3j s THR 10 Ca 0.05 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1y3j s THR 10 Cb -0.23 -4.66 0.00 0.00 0.01 0.00 0.00 72.50 67.61 1y3j s THR 10 CO -0.02 -1.18 0.00 0.61 -0.69 0.00 0.00 174.62 173.34 1y3j n GLY 11 N 5.80 -0.66 5.00 4.40 0.00 -1.26 -2.57 105.19 115.90 1y3j n GLY 11 Ca 0.45 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -2.48 0.00 -2.76 1.61 2.81 -1.00 -1.55 117.12 113.75 1y3j n MET 12 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1y3j n MET 12 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.58 1y3j n MET 12 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1y3j n THR 13 N 0.00 0.25 -0.28 2.03 5.66 -1.26 -4.29 114.28 116.38 1y3j n THR 13 Ca 0.00 -2.36 0.02 0.00 -3.05 0.00 0.00 64.05 58.67 1y3j n THR 13 Cb 0.00 0.83 0.10 0.00 -1.55 0.00 0.00 70.33 69.71 1y3j n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y3j s ALA 15 N -6.23 -3.93 -1.34 0.00 0.00 -1.26 -4.93 121.76 104.07 1y3j s ALA 15 Ca -0.15 1.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 1y3j s ALA 15 Cb 0.23 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.47 1y3j s ALA 15 CO 0.75 -2.29 1.11 0.43 0.00 0.00 0.00 175.76 175.77 1y3j n SER 16 N 4.37 -5.14 -0.32 0.00 7.64 -1.26 -4.87 113.62 114.04 1y3j n SER 16 Ca 0.07 -0.59 0.22 0.00 1.01 0.00 0.00 58.87 59.58 1y3j n SER 16 Cb 0.60 -4.91 0.43 0.00 -1.01 0.00 0.00 64.21 59.32 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 0.18 0.86 -0.58 0.00 -1.51 -1.90 0.27 116.25 113.57 1y3j h VAL 18 Ca 0.70 -0.66 0.12 0.00 -1.23 0.00 0.00 66.70 65.62 1y3j h VAL 18 Cb 1.60 1.23 -0.09 0.00 -2.13 0.00 0.00 31.29 31.90 1y3j h VAL 18 CO -0.70 0.14 0.04 0.00 -1.23 0.00 0.00 177.57 175.83 1y3j h ALA 19 N 0.02 0.60 0.03 5.19 0.00 -1.76 0.20 119.26 123.54 1y3j h ALA 19 Ca -0.03 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1y3j h ALA 19 Cb 0.46 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1y3j h ALA 19 CO 0.05 -0.37 -0.21 -0.97 0.00 0.00 0.00 179.25 177.76 1y3j h ASN 20 N 0.16 -0.60 0.03 0.00 -1.24 -0.64 -1.51 115.58 111.77 1y3j h ASN 20 Ca 0.30 0.08 0.03 0.00 0.71 0.00 0.00 56.30 57.42 1y3j h ASN 20 Cb 0.47 0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.72 1y3j h ASN 20 CO -0.46 -0.28 -0.30 0.40 -1.29 0.00 0.00 177.43 175.51 1y3j h ILE 21 N -0.35 0.35 -0.10 2.57 5.03 0.78 0.23 117.51 126.02 1y3j h ILE 21 Ca 0.05 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.82 1y3j h ILE 21 Cb 0.41 0.35 -0.06 0.00 -3.03 0.00 0.00 36.82 34.49 1y3j h ILE 21 CO -0.17 0.00 -0.53 -0.33 -0.68 0.00 0.00 178.15 176.44 1y3j h GLU 22 N -0.46 -0.57 -0.84 2.37 5.08 -0.39 0.17 114.58 119.94 1y3j h GLU 22 Ca 0.05 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1y3j h GLU 22 Cb 0.54 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1y3j h GLU 22 CO -0.23 -0.38 0.52 0.00 -1.00 0.00 0.00 179.01 177.92 1y3j h ARG 23 N -0.59 1.13 0.89 2.33 -0.00 -1.05 -2.74 114.38 114.35 1y3j h ARG 23 Ca 0.03 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.98 59.37 1y3j h ARG 23 Cb 0.67 -0.24 0.01 0.00 0.00 0.00 0.00 29.97 30.41 1y3j h ARG 23 CO -0.41 0.78 -0.43 -0.91 0.00 0.00 0.00 179.97 179.00 1y3j h ASN 24 N 1.15 -1.02 0.11 7.04 2.35 0.21 -3.41 115.58 122.02 1y3j h ASN 24 Ca 0.30 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1y3j h ASN 24 Cb -0.07 0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1y3j h ASN 24 CO -0.06 -0.67 -0.05 -0.07 -1.65 0.00 0.00 177.43 174.92 1y3j h LEU 25 N -1.31 -0.13 -0.99 1.61 -0.00 -0.49 -3.37 115.31 110.64 1y3j h LEU 25 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1y3j h LEU 25 Cb 0.92 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 1y3j h LEU 25 CO 0.20 0.12 0.28 0.08 -0.00 0.00 0.00 178.44 179.13 1y3j h ARG 26 N -0.58 0.00 -0.56 1.13 -0.00 -1.70 -3.30 114.38 109.37 1y3j h ARG 26 Ca -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 60.02 1y3j h ARG 26 Cb 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.02 1y3j h ARG 26 CO 0.03 0.00 -0.31 0.54 -0.00 0.00 0.00 179.97 180.22 1y3j n ARG 27 N -2.13 -0.23 0.00 0.08 1.74 -1.26 -4.85 116.66 110.01 1y3j n ARG 27 Ca -0.01 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1y3j n ARG 27 Cb 0.31 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1y3j n ARG 27 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1y3j n GLU 28 N -4.72 0.00 -2.69 5.56 0.00 -1.24 -5.07 120.64 112.47 1y3j n GLU 28 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.09 1y3j n GLU 28 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.59 1y3j n GLU 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1y3j n GLU 29 N 0.00 -2.66 -2.53 3.44 4.71 -1.26 -0.69 120.64 121.65 1y3j n GLU 29 Ca 0.00 0.24 -0.21 0.00 -0.01 0.00 0.00 57.16 57.18 1y3j n GLU 29 Cb 0.00 -4.79 -0.00 0.00 -1.01 0.00 0.00 31.44 25.64 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 -0.69 -0.50 3.75 0.62 0.00 -1.26 -4.67 105.19 102.44 1y3j n GLY 30 Ca -0.04 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.07 3.96 -0.19 -0.61 1.09 0.13 -0.55 121.20 121.96 1y3j s ILE 31 Ca 0.06 1.92 0.18 0.00 -1.10 0.00 0.00 60.65 61.71 1y3j s ILE 31 Cb -0.03 -4.23 0.39 0.00 -1.06 0.00 0.00 42.46 37.54 1y3j s ILE 31 CO 0.08 0.44 1.22 0.00 -0.10 0.00 0.00 174.94 176.58 1y3j n TYR 32 N 1.58 -0.07 -3.62 3.97 9.36 0.74 -4.83 117.16 124.29 1y3j n TYR 32 Ca -0.01 -1.45 -0.09 0.00 3.32 0.00 0.00 57.90 59.67 1y3j n TYR 32 Cb 0.47 0.37 -0.06 0.00 -0.63 0.00 0.00 39.34 39.48 1y3j n TYR 32 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1y3j s SER 33 N -2.31 -0.38 0.34 2.98 0.15 0.04 -4.63 113.70 109.88 1y3j s SER 33 Ca 0.20 0.63 -0.21 0.00 0.70 0.00 0.00 55.95 57.26 1y3j s SER 33 Cb 0.32 0.60 -0.10 0.00 -1.71 0.00 0.00 66.02 65.14 1y3j s SER 33 CO -0.09 -0.20 0.87 0.27 1.20 0.00 0.00 173.24 175.29 1y3j s ILE 34 N -0.27 4.42 -1.28 6.45 -5.25 -1.26 -1.41 121.20 122.59 1y3j s ILE 34 Ca 0.02 1.46 -0.18 0.00 -0.99 0.00 0.00 60.65 60.96 1y3j s ILE 34 Cb -0.03 -3.78 0.06 0.00 2.95 0.00 0.00 42.46 41.65 1y3j s ILE 34 CO -0.04 -0.05 1.74 -1.48 -1.79 0.00 0.00 174.94 173.32 1y3j s LEU 35 N -2.56 3.78 -0.01 0.37 2.34 -1.26 -4.54 118.68 116.81 1y3j s LEU 35 Ca 0.53 -2.37 0.04 0.00 0.06 0.00 0.00 54.13 52.39 1y3j s LEU 35 Cb -0.14 -2.58 -0.01 0.00 -0.56 0.00 0.00 46.19 42.91 1y3j s LEU 35 CO 0.19 -1.29 -0.12 -0.69 -1.06 0.00 0.00 176.35 173.38 1y3j s VAL 36 N 4.65 0.96 -0.41 1.48 1.01 -1.26 -3.98 120.40 122.84 1y3j s VAL 36 Ca 0.55 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.11 1y3j s VAL 36 Cb 0.04 -0.81 0.35 0.00 0.00 0.00 0.00 36.38 35.96 1y3j s VAL 36 CO 0.08 0.28 1.07 0.00 0.00 0.00 0.00 175.10 176.52 1y3j n ALA 37 N 2.90 0.63 0.43 5.51 0.00 0.60 -4.56 120.51 126.02 1y3j n ALA 37 Ca -0.15 -2.01 0.13 0.00 0.00 0.00 0.00 53.44 51.41 1y3j n ALA 37 Cb 0.55 -1.06 0.48 0.00 0.00 0.00 0.00 19.45 19.43 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 2.80 0.00 -1.41 0.00 7.12 -1.91 0.11 115.31 122.02 1y3j h LEU 38 Ca -0.09 0.00 0.26 0.00 0.13 0.00 0.00 57.88 58.18 1y3j h LEU 38 Cb 1.12 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.16 1y3j h LEU 38 CO 0.20 0.00 0.67 0.24 -0.13 0.00 0.00 178.44 179.42 1y3j h MET 39 N 0.00 0.37 0.02 1.25 2.86 -1.94 -2.73 114.93 114.76 1y3j h MET 39 Ca 0.00 -0.02 -0.37 0.00 -2.06 0.00 0.00 59.70 57.25 1y3j h MET 39 Cb 0.51 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 1y3j h MET 39 CO 0.00 0.25 -2.06 0.00 1.06 0.00 0.00 176.91 176.16 1y3j n ALA 40 N -2.49 1.06 0.00 6.32 0.00 -0.06 -5.06 120.51 120.29 1y3j n ALA 40 Ca 0.24 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1y3j n ALA 40 Cb 0.86 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 1.59 0.64 3.83 0.00 0.00 0.19 -5.14 105.19 106.30 1y3j n GLY 41 Ca -0.43 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 1y3j n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y3j s LYS 42 N -0.88 1.98 -0.12 1.61 -2.85 -1.07 -4.77 119.74 113.65 1y3j s LYS 42 Ca 0.00 -1.21 0.02 0.00 -1.00 0.00 0.00 55.97 53.78 1y3j s LYS 42 Cb 0.00 0.60 0.01 0.00 -2.06 0.00 0.00 37.83 36.38 1y3j s LYS 42 CO 0.00 -0.92 -0.18 0.00 0.10 0.00 0.00 175.35 174.35 1y3j s ALA 43 N -2.89 1.89 -0.33 0.59 0.00 -0.25 -0.29 121.76 120.47 1y3j s ALA 43 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1y3j s ALA 43 Cb -0.05 -0.88 0.13 0.00 0.00 0.00 0.00 23.12 22.32 1y3j s ALA 43 CO 0.09 -0.04 0.19 -1.83 0.00 0.00 0.00 175.76 174.18 1y3j s GLU 44 N 0.89 0.45 0.50 0.00 -1.05 -1.26 0.11 118.70 118.34 1y3j s GLU 44 Ca -0.08 -1.09 -0.18 0.00 -0.15 0.00 0.00 54.97 53.48 1y3j s GLU 44 Cb -0.15 -1.24 -0.08 0.00 -0.44 0.00 0.00 34.13 32.22 1y3j s GLU 44 CO -0.01 -1.16 0.99 0.54 0.95 0.00 0.00 175.26 176.57 1y3j s VAL 45 N 1.37 4.39 -0.00 1.83 0.11 -1.05 -3.98 120.40 123.07 1y3j s VAL 45 Ca 0.16 1.23 0.07 0.00 -2.93 0.00 0.00 61.98 60.51 1y3j s VAL 45 Cb -0.21 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 30.97 1y3j s VAL 45 CO -0.09 -0.58 -0.23 -0.60 -3.33 0.00 0.00 175.10 170.27 1y3j s ARG 46 N -3.85 1.77 0.10 1.54 3.52 -0.50 -1.25 118.95 120.28 1y3j s ARG 46 Ca 0.60 -0.86 -0.15 0.00 -0.13 0.00 0.00 55.73 55.20 1y3j s ARG 46 Cb -0.11 -1.76 0.03 0.00 -1.56 0.00 0.00 34.95 31.55 1y3j s ARG 46 CO 0.28 0.48 0.35 1.52 -0.81 0.00 0.00 175.30 177.12 1y3j s TYR 47 N -0.59 -0.13 -0.59 5.12 -0.85 0.18 -0.19 117.35 120.30 1y3j s TYR 47 Ca 0.09 -0.16 -0.17 0.00 -0.52 0.00 0.00 57.07 56.31 1y3j s TYR 47 Cb -0.09 0.18 0.13 0.00 0.38 0.00 0.00 41.96 42.56 1y3j s TYR 47 CO -0.00 -0.64 0.60 1.21 -1.52 0.00 0.00 175.55 175.20 1y3j s ASN 48 N -2.68 6.26 -1.19 -0.18 2.47 0.28 -0.68 114.94 119.21 1y3j s ASN 48 Ca 0.02 -1.78 -0.19 0.00 0.42 0.00 0.00 52.86 51.32 1y3j s ASN 48 Cb 0.02 -2.24 -0.03 0.00 -1.45 0.00 0.00 41.25 37.55 1y3j s ASN 48 CO -0.10 -0.91 1.93 -0.81 -3.72 0.00 0.00 177.10 173.49 1y3j n PRO 49 N 5.47 2.34 0.00 0.43 -0.04 -1.26 -3.04 135.00 138.90 1y3j n PRO 49 Ca -0.09 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 1y3j n PRO 49 Cb 0.42 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 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 9.44 0.06 0.07 0.55 0.00 -1.26 -4.91 120.51 124.45 1y3j n ALA 50 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.80 1y3j n ALA 50 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 0.21 0.00 0.00 2.07 -1.93 -3.46 116.25 113.14 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 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 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 -5.44 0.00 -3.18 4.57 3.06 -1.26 -4.99 119.36 112.13 1y3j n ILE 52 Ca -0.06 0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.24 1y3j n ILE 52 Cb 0.36 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.51 1y3j n ILE 52 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 1y3j s GLN 53 N 3.85 0.14 0.27 9.51 2.00 -1.26 -4.93 119.66 129.24 1y3j s GLN 53 Ca 0.00 0.27 -0.00 0.00 -2.00 0.00 0.00 55.36 53.63 1y3j s GLN 53 Cb 0.00 0.16 0.62 0.00 0.80 0.00 0.00 33.01 34.58 1y3j s GLN 53 CO 0.00 -0.12 1.67 -1.35 -0.50 0.00 0.00 175.29 174.99 1y3j h PRO 54 N 7.80 0.28 0.22 1.67 0.11 -1.98 0.88 132.00 140.97 1y3j h PRO 54 Ca -0.13 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.98 1y3j h PRO 54 Cb 1.16 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1y3j h PRO 54 CO -0.09 0.18 -0.38 -1.00 -0.21 0.00 0.00 178.00 176.51 1y3j h PRO 55 N 0.29 -0.65 -0.43 1.05 0.13 -2.00 -2.88 132.00 127.51 1y3j h PRO 55 Ca 0.50 0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.75 1y3j h PRO 55 Cb 0.94 0.15 -0.07 0.00 0.13 0.00 0.00 31.00 32.15 1y3j h PRO 55 CO -0.57 -0.43 0.03 0.52 -0.23 0.00 0.00 178.00 177.32 1y3j h MET 56 N -0.67 0.14 -0.87 0.86 2.86 -1.38 0.12 114.93 115.99 1y3j h MET 56 Ca 0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y3j h MET 56 Cb 0.66 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 1y3j h MET 56 CO -0.16 0.09 0.56 -0.84 1.06 0.00 0.00 176.91 177.62 1y3j h ILE 57 N 0.14 1.23 0.96 -1.22 3.07 -0.92 0.57 117.51 121.34 1y3j h ILE 57 Ca 0.21 -0.46 -0.05 0.00 1.55 0.00 0.00 64.86 66.12 1y3j h ILE 57 Cb 0.29 -0.03 0.01 0.00 -0.27 0.00 0.00 36.82 36.82 1y3j h ILE 57 CO -0.33 0.23 -0.46 0.00 -1.05 0.00 0.00 178.15 176.55 1y3j h ALA 58 N 1.30 -1.30 -0.61 0.16 0.00 -1.14 -3.34 119.26 114.33 1y3j h ALA 58 Ca 0.32 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1y3j h ALA 58 Cb -0.10 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 1y3j h ALA 58 CO -0.06 -1.20 -0.28 0.93 0.00 0.00 0.00 179.25 178.63 1y3j h GLU 59 N -1.33 -0.11 -1.01 0.00 5.08 -0.34 -1.33 114.58 115.54 1y3j h GLU 59 Ca -0.13 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.57 1y3j h GLU 59 Cb 0.98 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.11 1y3j h GLU 59 CO 0.22 -0.07 0.58 0.35 -1.00 0.00 0.00 179.01 179.08 1y3j h PHE 60 N -0.11 0.90 -0.65 4.33 3.57 -1.02 0.40 116.94 124.37 1y3j h PHE 60 Ca 0.26 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1y3j h PHE 60 Cb 0.53 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1y3j h PHE 60 CO -0.60 -0.21 0.35 0.82 -2.23 0.00 0.00 178.31 176.44 1y3j h ILE 61 N 0.28 1.20 0.71 1.41 2.04 -1.38 -1.99 117.51 119.77 1y3j h ILE 61 Ca 0.75 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 1y3j h ILE 61 Cb 1.77 0.33 0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1y3j h ILE 61 CO -0.62 0.22 -0.34 0.03 0.00 0.00 0.00 178.15 177.44 1y3j h ARG 62 N 0.90 -0.92 -0.97 2.37 3.08 0.16 0.41 114.38 119.40 1y3j h ARG 62 Ca 0.23 0.06 0.17 0.00 0.07 0.00 0.00 59.98 60.51 1y3j h ARG 62 Cb 0.03 0.21 -0.17 0.00 0.08 0.00 0.00 29.97 30.12 1y3j h ARG 62 CO -0.04 -0.61 -0.32 0.39 -1.07 0.00 0.00 179.97 178.32 1y3j n GLU 63 N -4.84 -0.16 0.15 0.04 4.71 -1.14 -1.07 120.64 118.33 1y3j n GLU 63 Ca -0.12 1.50 0.12 0.00 -0.01 0.00 0.00 57.16 58.66 1y3j n GLU 63 Cb 0.38 -2.24 0.18 0.00 -1.01 0.00 0.00 31.44 28.75 1y3j n GLU 63 CO 0.00 0.00 0.00 1.37 0.09 0.00 0.00 177.13 178.59 1y3j h LEU 64 N 0.00 0.00 0.00 -4.62 8.10 -1.30 -3.47 115.31 114.02 1y3j h LEU 64 Ca 0.40 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.36 1y3j h LEU 64 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 1y3j h LEU 64 CO -0.98 0.02 0.00 0.61 -4.11 0.00 0.00 178.44 173.98 1y3j n GLY 65 N 1.19 -1.86 3.15 0.17 0.00 0.10 -5.08 105.19 102.87 1y3j n GLY 65 Ca 0.03 0.57 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.39 1.22 -1.20 1.61 0.08 0.93 -4.84 117.98 114.40 1y3j s PHE 66 Ca 0.00 -0.38 -0.21 0.00 0.12 0.00 0.00 56.93 56.46 1y3j s PHE 66 Cb 0.00 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.73 1y3j s PHE 66 CO 0.00 0.04 1.80 0.20 -0.10 0.00 0.00 175.22 177.16 1y3j s GLY 67 N -1.29 0.94 -0.97 4.36 0.00 -1.06 -2.42 107.32 106.88 1y3j s GLY 67 Ca 0.01 -2.47 -0.22 0.00 0.00 0.00 0.00 44.72 42.04 1y3j s GLY 67 CO 0.01 3.09 1.33 0.00 0.00 0.00 0.00 173.10 177.53 1y3j s ALA 68 N 7.28 2.93 -0.22 3.20 0.00 -1.25 -0.74 121.76 132.96 1y3j s ALA 68 Ca 0.60 -2.37 -0.11 0.00 0.00 0.00 0.00 51.96 50.08 1y3j s ALA 68 Cb 0.01 -4.35 -0.05 0.00 0.00 0.00 0.00 23.12 18.73 1y3j s ALA 68 CO 0.08 -3.38 0.17 0.95 0.00 0.00 0.00 175.76 173.57 1y3j s THR 69 N 4.26 5.37 -0.02 0.00 -4.23 0.38 -4.50 115.64 116.90 1y3j s THR 69 Ca 0.41 0.23 -0.27 0.00 -1.18 0.00 0.00 61.69 60.87 1y3j s THR 69 Cb -0.02 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.28 1y3j s THR 69 CO -0.08 0.37 0.87 -0.69 -0.54 0.00 0.00 174.62 174.55 1y3j s VAL 70 N 0.82 4.93 -0.39 2.29 1.01 -1.26 -0.40 120.40 127.40 1y3j s VAL 70 Ca 0.09 1.81 0.10 0.00 0.00 0.00 0.00 61.98 63.98 1y3j s VAL 70 Cb -0.13 -4.21 0.31 0.00 0.00 0.00 0.00 36.38 32.36 1y3j s VAL 70 CO 0.03 0.20 0.70 -0.38 0.00 0.00 0.00 175.10 175.65 1y3j n ILE 71 N 3.80 -0.31 -1.54 2.22 5.41 0.57 -4.91 119.36 124.59 1y3j n ILE 71 Ca 0.03 -4.10 -0.34 0.00 1.00 0.00 0.00 62.75 59.35 1y3j n ILE 71 Cb 0.51 -0.59 0.08 0.00 -0.71 0.00 0.00 39.64 38.93 1y3j n ILE 71 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1y3j s GLU 72 N -1.76 2.36 0.00 0.38 -6.30 -1.12 -4.45 118.70 107.81 1y3j s GLU 72 Ca 0.37 1.61 0.00 0.00 -2.50 0.00 0.00 54.97 54.45 1y3j s GLU 72 Cb 0.29 -1.88 0.00 0.00 0.00 0.00 0.00 34.13 32.54 1y3j s GLU 72 CO -0.09 -1.63 0.00 0.27 0.02 0.00 0.00 175.26 173.82 1y3j n ASN 73 N -2.65 0.00 -3.63 -1.70 0.23 -1.26 -4.99 115.26 101.26 1y3j n ASN 73 Ca 0.12 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 54.06 1y3j n ASN 73 Cb 0.51 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.14 1y3j n ASN 73 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1y3j s ILE 74 N 0.00 0.00 -0.35 1.53 -1.16 -1.26 -5.01 121.20 114.95 1y3j s ILE 74 Ca 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 60.65 60.08 1y3j s ILE 74 Cb 0.00 -1.00 0.01 0.00 0.61 0.00 0.00 42.46 42.08 1y3j s ILE 74 CO 0.00 0.00 0.21 -0.62 -2.81 0.00 0.00 174.94 171.72 1y3j n GLU 75 N 2.66 -0.65 -2.70 3.50 -0.58 -1.26 -4.85 120.64 116.77 1y3j n GLU 75 Ca -0.14 -0.06 -0.06 0.00 -0.42 0.00 0.00 57.16 56.47 1y3j n GLU 75 Cb 0.56 -0.44 0.09 0.00 -0.57 0.00 0.00 31.44 31.07 1y3j n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y3j n GLY 76 N -1.12 1.52 3.70 0.62 0.00 -1.26 -5.36 105.19 103.29 1y3j n GLY 76 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1y3j n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19