#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 -1.90 -4.79 6.41 7.64 -1.26 -4.98 113.62 114.74 1y3j n SER 2 Ca 0.00 0.91 -0.37 0.00 1.01 0.00 0.00 58.87 60.41 1y3j n SER 2 Cb 0.00 -0.97 -0.06 0.00 -1.01 0.00 0.00 64.21 62.17 1y3j n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1y3j s SER 3 N -0.97 6.61 -0.28 6.43 0.01 0.80 -4.72 113.70 121.58 1y3j s SER 3 Ca 0.61 0.73 -0.24 0.00 1.31 0.00 0.00 55.95 58.36 1y3j s SER 3 Cb -0.68 -2.21 -0.00 0.00 0.21 0.00 0.00 66.02 63.33 1y3j s SER 3 CO 0.60 0.21 0.81 -0.75 0.41 0.00 0.00 173.24 174.52 1y3j s LYS 4 N -0.27 4.05 -0.06 12.44 2.20 -1.26 -0.61 119.74 136.23 1y3j s LYS 4 Ca 0.21 0.73 0.03 0.00 -0.36 0.00 0.00 55.97 56.58 1y3j s LYS 4 Cb -0.15 -3.70 0.01 0.00 -1.51 0.00 0.00 37.83 32.49 1y3j s LYS 4 CO 0.09 -0.62 -0.15 0.00 -0.36 0.00 0.00 175.35 174.31 1y3j s TYR 6 N 0.48 3.70 0.12 0.00 2.02 -1.26 -0.60 117.35 121.81 1y3j s TYR 6 Ca -0.13 1.17 0.04 0.00 -0.37 0.00 0.00 57.07 57.79 1y3j s TYR 6 Cb -0.15 -2.56 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 1y3j s TYR 6 CO 0.04 0.40 -0.10 0.42 -1.57 0.00 0.00 175.55 174.74 1y3j s ILE 7 N -0.36 1.06 -0.07 2.71 1.01 -0.27 -0.53 121.20 124.75 1y3j s ILE 7 Ca 0.30 -1.82 0.01 0.00 0.00 0.00 0.00 60.65 59.14 1y3j s ILE 7 Cb -0.18 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1y3j s ILE 7 CO 0.17 -0.63 -0.10 -1.58 0.00 0.00 0.00 174.94 172.80 1y3j s GLN 8 N -3.19 1.49 0.53 2.79 2.00 0.41 -1.30 119.66 122.39 1y3j s GLN 8 Ca 0.10 -0.31 0.07 0.00 -2.00 0.00 0.00 55.36 53.22 1y3j s GLN 8 Cb -0.01 -1.35 0.04 0.00 0.80 0.00 0.00 33.01 32.49 1y3j s GLN 8 CO 0.00 -0.07 0.49 0.14 -0.50 0.00 0.00 175.29 175.35 1y3j s VAL 9 N 1.01 1.96 -0.00 1.34 -7.23 -1.26 -0.61 120.40 115.60 1y3j s VAL 9 Ca -0.08 -1.35 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1y3j s VAL 9 Cb -0.15 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 1y3j s VAL 9 CO -0.00 0.00 0.04 0.28 -0.31 0.00 0.00 175.10 175.11 1y3j s THR 10 N -2.69 0.05 0.08 5.32 -1.32 -0.91 -4.89 115.64 111.28 1y3j s THR 10 Ca 0.43 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1y3j s THR 10 Cb -0.03 -0.20 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 1y3j s THR 10 CO 0.27 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1y3j n GLY 11 N 2.30 -4.73 0.00 6.08 0.00 -1.26 -4.48 105.19 103.10 1y3j n GLY 11 Ca -0.18 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 1.17 0.00 0.01 1.61 0.00 -1.26 -4.87 117.12 113.78 1y3j n MET 12 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.52 1y3j n MET 12 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 1y3j n MET 12 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1y3j h THR 13 N 0.00 1.35 -1.66 2.03 1.35 -1.99 -3.41 112.91 110.58 1y3j h THR 13 Ca 0.00 -2.07 -0.33 0.00 -0.55 0.00 0.00 66.41 63.46 1y3j h THR 13 Cb 0.00 2.39 -0.11 0.00 -1.73 0.00 0.00 68.15 68.70 1y3j h THR 13 CO 0.00 0.63 -0.32 0.00 -0.25 0.00 0.00 175.52 175.58 1y3j n ALA 15 N 0.26 -1.11 0.00 0.00 0.00 -1.26 -4.35 120.51 114.06 1y3j n ALA 15 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1y3j n ALA 15 Cb 0.55 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.76 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 -2.43 0.00 -0.12 0.00 3.41 0.23 -5.04 113.62 109.66 1y3j n SER 16 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 1y3j n SER 16 Cb 0.54 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.81 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 0.82 0.87 -0.76 0.00 -1.51 -1.80 0.18 116.25 114.05 1y3j h VAL 18 Ca 0.22 -0.58 0.18 0.00 -1.23 0.00 0.00 66.70 65.28 1y3j h VAL 18 Cb -0.09 1.21 -0.12 0.00 -2.13 0.00 0.00 31.29 30.16 1y3j h VAL 18 CO -0.05 0.13 0.15 0.00 -1.23 0.00 0.00 177.57 176.57 1y3j h ALA 19 N 0.13 0.96 -0.07 5.19 0.00 -1.84 0.30 119.26 123.93 1y3j h ALA 19 Ca -0.03 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y3j h ALA 19 Cb 0.43 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1y3j h ALA 19 CO 0.05 -0.38 -0.15 -0.97 0.00 0.00 0.00 179.25 177.80 1y3j h ASN 20 N 0.22 -0.45 -0.17 0.00 -1.24 -0.70 -0.04 115.58 113.20 1y3j h ASN 20 Ca 0.44 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.52 1y3j h ASN 20 Cb 0.78 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 1y3j h ASN 20 CO -0.57 -0.20 0.09 0.40 -1.29 0.00 0.00 177.43 175.86 1y3j h ILE 21 N -0.22 1.11 -0.15 2.57 2.04 0.21 0.23 117.51 123.31 1y3j h ILE 21 Ca 0.07 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.67 1y3j h ILE 21 Cb 0.32 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1y3j h ILE 21 CO -0.20 0.10 -0.26 -0.33 0.00 0.00 0.00 178.15 177.47 1y3j h GLU 22 N 0.16 -0.31 -0.89 2.37 5.08 -0.50 0.23 114.58 120.73 1y3j h GLU 22 Ca 0.06 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1y3j h GLU 22 Cb 0.09 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 1y3j h GLU 22 CO -0.01 -0.20 0.53 0.00 -1.00 0.00 0.00 179.01 178.33 1y3j h ARG 23 N -0.32 0.86 0.06 2.33 2.47 -0.45 -2.66 114.38 116.67 1y3j h ARG 23 Ca 0.11 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1y3j h ARG 23 Cb 0.48 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1y3j h ARG 23 CO -0.33 0.57 -0.03 -0.91 0.56 0.00 0.00 179.97 179.83 1y3j h ASN 24 N 0.89 -0.07 1.17 7.04 2.35 0.42 -3.40 115.58 123.98 1y3j h ASN 24 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 1y3j h ASN 24 Cb 0.37 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1y3j h ASN 24 CO -0.24 0.03 0.00 0.18 -1.65 0.00 0.00 177.43 175.74 1y3j n LEU 25 N -2.62 0.76 0.00 1.61 7.99 0.72 -4.67 117.00 120.80 1y3j n LEU 25 Ca -0.01 0.62 0.00 0.00 -0.01 0.00 0.00 56.01 56.61 1y3j n LEU 25 Cb 0.03 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 42.91 1y3j n LEU 25 CO 0.02 -0.34 0.02 -2.11 -1.51 0.00 0.00 177.39 173.47 1y3j n ARG 26 N -2.26 0.00 -0.06 3.23 1.85 -1.00 -3.57 116.66 114.84 1y3j n ARG 26 Ca 0.04 0.04 -0.06 0.00 -1.00 0.00 0.00 57.85 56.88 1y3j n ARG 26 Cb 0.35 -0.07 -0.02 0.00 -1.05 0.00 0.00 32.46 31.67 1y3j n ARG 26 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1y3j n ARG 27 N -1.37 0.39 0.00 2.89 1.85 -1.26 -4.64 116.66 114.52 1y3j n ARG 27 Ca 0.00 0.30 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 1y3j n ARG 27 Cb 0.00 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 1y3j n ARG 27 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1y3j n GLU 28 N -4.07 0.00 -3.16 2.89 -0.58 -1.23 -0.83 120.64 113.65 1y3j n GLU 28 Ca -0.09 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.20 1y3j n GLU 28 Cb 0.32 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.16 1y3j n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1y3j s GLU 29 N 0.00 3.46 0.00 3.49 2.12 -1.26 -4.52 118.70 121.99 1y3j s GLU 29 Ca 0.00 -1.98 0.00 0.00 0.36 0.00 0.00 54.97 53.35 1y3j s GLU 29 Cb 0.00 -4.54 0.00 0.00 0.26 0.00 0.00 34.13 29.85 1y3j s GLU 29 CO 0.00 -1.49 0.00 0.41 -0.54 0.00 0.00 175.26 173.64 1y3j n GLY 30 N 4.77 1.53 3.62 -1.50 0.00 -1.22 -4.42 105.19 107.96 1y3j n GLY 30 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 4.73 -0.29 -0.61 1.01 -0.01 -0.51 121.20 123.52 1y3j s ILE 31 Ca 0.00 -0.05 0.19 0.00 0.00 0.00 0.00 60.65 60.79 1y3j s ILE 31 Cb 0.00 -3.13 0.49 0.00 0.01 0.00 0.00 42.46 39.82 1y3j s ILE 31 CO 0.00 0.46 1.07 -1.22 0.00 0.00 0.00 174.94 175.25 1y3j n TYR 32 N 3.59 1.50 -3.62 3.97 4.02 0.76 -4.45 117.16 122.93 1y3j n TYR 32 Ca -0.17 -2.39 -0.08 0.00 -0.01 0.00 0.00 57.90 55.26 1y3j n TYR 32 Cb 0.52 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 39.50 1y3j n TYR 32 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1y3j s SER 33 N -3.58 -0.33 0.56 7.72 0.01 -0.50 -4.75 113.70 112.83 1y3j s SER 33 Ca 0.31 0.55 -0.08 0.00 1.31 0.00 0.00 55.95 58.04 1y3j s SER 33 Cb 0.37 0.53 -0.03 0.00 0.21 0.00 0.00 66.02 67.10 1y3j s SER 33 CO -0.02 -0.17 0.91 0.27 0.41 0.00 0.00 173.24 174.64 1y3j s ILE 34 N -0.27 4.58 -0.91 1.44 -0.00 -1.26 -1.15 121.20 123.64 1y3j s ILE 34 Ca 0.03 0.45 -0.20 0.00 -0.00 0.00 0.00 60.65 60.93 1y3j s ILE 34 Cb -0.03 -3.79 -0.12 0.00 -0.00 0.00 0.00 42.46 38.52 1y3j s ILE 34 CO -0.06 -0.90 1.99 0.00 -0.00 0.00 0.00 174.94 175.98 1y3j n LEU 35 N -2.54 4.67 -3.99 0.37 -0.00 -1.22 -4.17 117.00 110.13 1y3j n LEU 35 Ca 0.04 -3.14 -0.23 0.00 -0.00 0.00 0.00 56.01 52.68 1y3j n LEU 35 Cb 0.55 -1.22 -0.16 0.00 -0.00 0.00 0.00 43.42 42.59 1y3j n LEU 35 CO 0.55 -0.04 -0.45 -0.69 -0.00 0.00 0.00 177.39 176.76 1y3j s VAL 36 N 4.60 0.94 -0.43 1.47 1.01 -1.26 -4.51 120.40 122.21 1y3j s VAL 36 Ca 0.55 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1y3j s VAL 36 Cb 0.14 -0.87 0.35 0.00 0.00 0.00 0.00 36.38 36.00 1y3j s VAL 36 CO 0.07 0.31 1.16 0.00 0.00 0.00 0.00 175.10 176.64 1y3j n ALA 37 N 3.78 0.10 0.67 5.51 0.00 0.21 -3.97 120.51 126.81 1y3j n ALA 37 Ca -0.23 -1.59 0.11 0.00 0.00 0.00 0.00 53.44 51.72 1y3j n ALA 37 Cb 0.52 -1.09 0.45 0.00 0.00 0.00 0.00 19.45 19.32 1y3j n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y3j n LEU 38 N 0.07 0.17 -0.36 0.00 7.99 -1.21 -0.67 117.00 122.99 1y3j n LEU 38 Ca 0.05 0.53 0.08 0.00 -0.01 0.00 0.00 56.01 56.66 1y3j n LEU 38 Cb 0.74 -0.49 0.26 0.00 -0.11 0.00 0.00 43.42 43.82 1y3j n LEU 38 CO 0.02 -0.20 1.22 -0.03 -1.51 0.00 0.00 177.39 176.89 1y3j h MET 39 N 0.00 0.91 0.06 3.23 1.85 -1.96 -2.56 114.93 116.46 1y3j h MET 39 Ca 0.00 -0.05 -0.32 0.00 -0.61 0.00 0.00 59.70 58.72 1y3j h MET 39 Cb 0.40 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.19 1y3j h MET 39 CO 0.00 0.60 -1.79 0.00 -0.40 0.00 0.00 176.91 175.32 1y3j h ALA 40 N 1.56 0.59 0.00 0.39 0.00 -1.46 -3.49 119.26 116.85 1y3j h ALA 40 Ca 0.51 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1y3j h ALA 40 Cb 0.58 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1y3j h ALA 40 CO -0.29 1.43 0.00 0.41 0.00 0.00 0.00 179.25 180.80 1y3j n GLY 41 N 1.73 0.84 2.76 0.00 0.00 0.16 -5.11 105.19 105.57 1y3j n GLY 41 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1y3j n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y3j n LYS 42 N 0.00 0.73 -3.67 1.61 5.02 -0.77 -4.41 118.16 116.67 1y3j n LYS 42 Ca 0.00 -1.91 -0.15 0.00 -2.02 0.00 0.00 58.31 54.23 1y3j n LYS 42 Cb 0.00 2.11 -0.08 0.00 -0.02 0.00 0.00 35.03 37.04 1y3j n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y3j s ALA 43 N -2.13 -1.20 -0.25 7.82 0.00 -0.42 0.66 121.76 126.24 1y3j s ALA 43 Ca 0.17 0.94 -0.00 0.00 0.00 0.00 0.00 51.96 53.06 1y3j s ALA 43 Cb -0.02 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 22.95 1y3j s ALA 43 CO 0.12 -0.28 0.02 -1.83 0.00 0.00 0.00 175.76 173.79 1y3j s GLU 44 N -0.81 1.11 -0.31 0.00 -1.05 -1.25 -1.12 118.70 115.27 1y3j s GLU 44 Ca -0.09 -0.94 -0.26 0.00 -0.15 0.00 0.00 54.97 53.54 1y3j s GLU 44 Cb -0.03 -2.35 0.01 0.00 -0.44 0.00 0.00 34.13 31.31 1y3j s GLU 44 CO 0.05 -0.74 0.91 0.54 0.95 0.00 0.00 175.26 176.97 1y3j s VAL 45 N 1.54 4.67 -0.27 1.83 0.11 0.23 -3.39 120.40 125.12 1y3j s VAL 45 Ca 0.01 1.43 -0.06 0.00 -2.93 0.00 0.00 61.98 60.43 1y3j s VAL 45 Cb -0.18 -4.26 0.00 0.00 -1.53 0.00 0.00 36.38 30.41 1y3j s VAL 45 CO -0.12 -0.35 0.05 -0.60 -3.33 0.00 0.00 175.10 170.75 1y3j s ARG 46 N 3.25 3.18 0.28 1.54 3.52 -0.30 -0.58 118.95 129.85 1y3j s ARG 46 Ca 0.38 -0.78 -0.07 0.00 -0.13 0.00 0.00 55.73 55.13 1y3j s ARG 46 Cb -0.13 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1y3j s ARG 46 CO 0.14 -0.37 0.44 1.52 -0.81 0.00 0.00 175.30 176.22 1y3j s TYR 47 N 1.50 0.74 -0.66 5.12 -0.85 0.22 -0.17 117.35 123.25 1y3j s TYR 47 Ca 0.03 -1.04 -0.12 0.00 -0.52 0.00 0.00 57.07 55.42 1y3j s TYR 47 Cb -0.16 -0.00 0.17 0.00 0.38 0.00 0.00 41.96 42.35 1y3j s TYR 47 CO 0.01 -1.02 0.58 -0.80 -1.52 0.00 0.00 175.55 172.80 1y3j s ASN 48 N -3.13 6.23 0.00 -0.18 -0.87 0.33 -0.14 114.94 117.19 1y3j s ASN 48 Ca 0.28 -2.32 0.12 0.00 -1.57 0.00 0.00 52.86 49.36 1y3j s ASN 48 Cb 0.00 -2.13 0.63 0.00 -0.02 0.00 0.00 41.25 39.73 1y3j s ASN 48 CO 0.14 -0.65 1.25 -0.81 -2.57 0.00 0.00 177.10 174.46 1y3j n PRO 49 N 4.43 0.22 0.06 -0.60 -0.04 -1.26 -1.09 135.00 136.73 1y3j n PRO 49 Ca 0.01 0.13 -0.05 0.00 -0.04 0.00 0.00 63.50 63.56 1y3j n PRO 49 Cb 0.43 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1y3j n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y3j h ALA 50 N 2.61 0.51 0.00 0.55 0.00 -1.97 -3.25 119.26 117.71 1y3j h ALA 50 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1y3j h ALA 50 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1y3j h ALA 50 CO 0.00 1.14 -0.06 0.28 0.00 0.00 0.00 179.25 180.61 1y3j h VAL 51 N 0.00 0.00 0.11 0.00 2.07 -1.47 -3.43 116.25 113.52 1y3j h VAL 51 Ca -0.07 -0.27 -0.33 0.00 0.82 0.00 0.00 66.70 66.86 1y3j h VAL 51 Cb 1.71 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1y3j h VAL 51 CO 0.10 0.00 -1.74 -0.29 0.02 0.00 0.00 177.57 175.66 1y3j h ILE 52 N -0.27 0.90 -0.71 4.57 2.10 -1.73 -3.51 117.51 118.86 1y3j h ILE 52 Ca 0.00 -2.60 0.00 0.00 1.08 0.00 0.00 64.86 63.34 1y3j h ILE 52 Cb 0.06 2.62 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 1y3j h ILE 52 CO 0.00 0.79 0.00 0.00 -1.08 0.00 0.00 178.15 177.86 1y3j n GLN 53 N -3.40 0.00 -0.20 2.19 1.13 -1.23 -4.38 117.38 111.49 1y3j n GLN 53 Ca -0.23 0.33 0.01 0.00 -1.94 0.00 0.00 57.00 55.17 1y3j n GLN 53 Cb 1.05 -0.03 0.10 0.00 0.11 0.00 0.00 30.24 31.47 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 0.14 -0.57 -1.09 0.11 -1.95 0.16 132.00 128.81 1y3j h PRO 54 Ca 0.00 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1y3j h PRO 54 Cb 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 1y3j h PRO 54 CO 0.00 0.09 0.36 -1.00 -0.21 0.00 0.00 178.00 177.24 1y3j h PRO 55 N 0.14 0.69 -0.37 1.05 0.13 -1.98 -2.89 132.00 128.77 1y3j h PRO 55 Ca 0.31 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 65.26 1y3j h PRO 55 Cb 0.50 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1y3j h PRO 55 CO -0.49 0.46 -0.32 0.52 -0.23 0.00 0.00 178.00 177.94 1y3j h MET 56 N 0.71 0.87 0.40 0.86 2.86 -1.12 0.97 114.93 120.48 1y3j h MET 56 Ca 0.22 -0.44 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1y3j h MET 56 Cb -0.01 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1y3j h MET 56 CO -0.08 1.09 -0.19 0.97 1.06 0.00 0.00 176.91 179.75 1y3j h ILE 57 N 0.68 0.61 -0.60 -1.22 2.10 -0.84 0.86 117.51 119.09 1y3j h ILE 57 Ca 0.07 -0.16 0.12 0.00 1.08 0.00 0.00 64.86 65.96 1y3j h ILE 57 Cb 0.90 0.69 -0.12 0.00 -1.09 0.00 0.00 36.82 37.21 1y3j h ILE 57 CO 0.08 0.03 -0.23 0.00 -1.08 0.00 0.00 178.15 176.96 1y3j h ALA 58 N -0.07 0.22 -0.16 0.18 0.00 -1.28 -1.19 119.26 116.96 1y3j h ALA 58 Ca -0.06 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1y3j h ALA 58 Cb 0.47 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1y3j h ALA 58 CO 0.09 -0.53 -0.13 0.93 0.00 0.00 0.00 179.25 179.62 1y3j h GLU 59 N -0.08 -0.13 -0.99 0.00 5.08 -0.69 -2.34 114.58 115.43 1y3j h GLU 59 Ca 0.27 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.88 1y3j h GLU 59 Cb 0.50 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.66 1y3j h GLU 59 CO -0.65 -0.09 0.56 0.35 -1.00 0.00 0.00 179.01 178.18 1y3j h PHE 60 N -0.14 0.96 -0.93 4.33 3.57 0.36 0.36 116.94 125.46 1y3j h PHE 60 Ca 0.10 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1y3j h PHE 60 Cb 0.28 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 1y3j h PHE 60 CO -0.26 0.06 0.60 0.82 -2.23 0.00 0.00 178.31 177.30 1y3j h ILE 61 N 0.57 1.12 0.03 1.41 1.08 -0.81 0.83 117.51 121.75 1y3j h ILE 61 Ca 0.63 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.71 1y3j h ILE 61 Cb 1.17 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1y3j h ILE 61 CO -0.48 0.21 -0.02 0.03 -0.69 0.00 0.00 178.15 177.20 1y3j h ARG 62 N 1.13 -0.05 -0.38 2.37 3.08 -0.31 0.42 114.38 120.65 1y3j h ARG 62 Ca 0.38 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.50 1y3j h ARG 62 Cb 0.06 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1y3j h ARG 62 CO -0.14 0.31 -0.00 0.93 -1.07 0.00 0.00 179.97 180.00 1y3j h GLU 63 N -0.41 0.09 0.02 0.04 5.08 -0.45 -2.75 114.58 116.20 1y3j h GLU 63 Ca -0.00 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 1y3j h GLU 63 Cb 0.38 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1y3j h GLU 63 CO 0.01 0.06 -1.27 1.37 -1.00 0.00 0.00 179.01 178.18 1y3j h LEU 64 N 0.10 0.07 0.00 1.33 8.10 -0.91 -3.46 115.31 120.54 1y3j h LEU 64 Ca 0.18 -0.09 0.00 0.00 0.11 0.00 0.00 57.88 58.08 1y3j h LEU 64 Cb 0.26 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 1y3j h LEU 64 CO -0.31 1.07 0.00 0.61 -4.11 0.00 0.00 178.44 175.70 1y3j n GLY 65 N 1.45 0.51 1.02 0.17 0.00 0.08 -5.09 105.19 103.34 1y3j n GLY 65 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1y3j n GLY 65 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y3j n PHE 66 N -0.22 0.00 0.00 1.61 3.72 -0.86 -4.91 117.46 116.81 1y3j n PHE 66 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1y3j n PHE 66 Cb 0.00 0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1y3j n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y3j n GLY 67 N 1.31 1.84 3.43 1.37 0.00 -1.26 -4.69 105.19 107.18 1y3j n GLY 67 Ca 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -1.43 -0.10 4.61 0.00 -1.26 -2.13 121.76 121.44 1y3j s ALA 68 Ca 0.00 1.90 0.03 0.00 0.00 0.00 0.00 51.96 53.89 1y3j s ALA 68 Cb 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1y3j s ALA 68 CO 0.00 -0.44 -0.21 -0.08 0.00 0.00 0.00 175.76 175.03 1y3j s THR 69 N 1.81 2.36 -0.11 0.00 -1.32 0.22 -4.81 115.64 113.78 1y3j s THR 69 Ca -0.08 -0.92 -0.23 0.00 -1.21 0.00 0.00 61.69 59.25 1y3j s THR 69 Cb -0.08 -1.92 -0.03 0.00 -1.51 0.00 0.00 72.50 68.96 1y3j s THR 69 CO -0.16 0.55 0.69 -0.69 -2.21 0.00 0.00 174.62 172.81 1y3j s VAL 70 N 0.24 5.02 -0.44 5.08 1.01 -1.26 -0.45 120.40 129.61 1y3j s VAL 70 Ca -0.14 1.39 0.10 0.00 0.00 0.00 0.00 61.98 63.33 1y3j s VAL 70 Cb -0.17 -4.02 0.33 0.00 0.00 0.00 0.00 36.38 32.52 1y3j s VAL 70 CO 0.07 0.19 0.75 -0.38 0.00 0.00 0.00 175.10 175.73 1y3j n ILE 71 N 4.10 0.63 -1.18 2.22 5.41 0.31 -4.95 119.36 125.91 1y3j n ILE 71 Ca -0.01 -4.77 -0.38 0.00 1.00 0.00 0.00 62.75 58.60 1y3j n ILE 71 Cb 0.51 -0.87 -0.04 0.00 -0.71 0.00 0.00 39.64 38.53 1y3j n ILE 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1y3j n GLU 72 N 0.36 2.02 -4.32 0.38 1.02 -1.19 -4.45 120.64 114.46 1y3j n GLU 72 Ca 0.26 -1.93 -0.17 0.00 -0.02 0.00 0.00 57.16 55.31 1y3j n GLU 72 Cb 0.57 -2.88 -0.10 0.00 -0.02 0.00 0.00 31.44 29.01 1y3j n GLU 72 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1y3j s ASN 73 N 4.13 1.26 -0.00 1.62 0.01 -1.26 -5.01 114.94 115.68 1y3j s ASN 73 Ca 0.52 -1.40 -0.04 0.00 -0.71 0.00 0.00 52.86 51.23 1y3j s ASN 73 Cb 0.14 0.18 -0.00 0.00 0.41 0.00 0.00 41.25 41.98 1y3j s ASN 73 CO 0.03 -0.75 0.08 -0.51 -1.51 0.00 0.00 177.10 174.45 1y3j s ILE 74 N -3.73 0.07 0.19 0.60 2.07 -1.26 -5.03 121.20 114.11 1y3j s ILE 74 Ca 0.37 -0.56 -0.01 0.00 -1.41 0.00 0.00 60.65 59.04 1y3j s ILE 74 Cb 0.08 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.32 1y3j s ILE 74 CO 0.14 -0.31 0.12 -1.61 -1.91 0.00 0.00 174.94 171.37 1y3j s GLU 75 N -1.01 1.15 0.00 3.50 2.02 -1.26 -5.12 118.70 117.98 1y3j s GLU 75 Ca -0.11 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.30 1y3j s GLU 75 Cb -0.06 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1y3j s GLU 75 CO 0.00 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1y3j n GLY 76 N -0.23 -0.64 0.00 -1.39 0.00 -1.26 -5.36 105.19 96.31 1y3j n GLY 76 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1y3j n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19