#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 3.46 -4.94 6.41 7.64 -1.26 -4.95 113.62 119.97 1y3j n SER 2 Ca 0.00 0.86 -0.24 0.00 1.01 0.00 0.00 58.87 60.50 1y3j n SER 2 Cb 0.00 -1.40 0.01 0.00 -1.01 0.00 0.00 64.21 61.81 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 4.72 5.92 0.44 6.43 0.15 0.89 -4.59 113.70 127.65 1y3j s SER 3 Ca 0.94 0.43 -0.04 0.00 0.70 0.00 0.00 55.95 57.98 1y3j s SER 3 Cb -0.64 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 1y3j s SER 3 CO 0.49 -0.67 0.72 -0.75 1.20 0.00 0.00 173.24 174.23 1y3j s LYS 4 N -4.59 3.55 0.12 5.44 2.20 -1.26 -0.92 119.74 124.27 1y3j s LYS 4 Ca 0.48 0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.99 1y3j s LYS 4 Cb -0.10 -2.45 0.04 0.00 -1.51 0.00 0.00 37.83 33.82 1y3j s LYS 4 CO 0.39 -0.10 0.46 0.00 -0.36 0.00 0.00 175.35 175.74 1y3j s TYR 6 N -3.57 3.10 -0.01 0.00 2.02 -1.26 -0.40 117.35 117.23 1y3j s TYR 6 Ca 0.01 0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1y3j s TYR 6 Cb 0.01 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1y3j s TYR 6 CO -0.11 0.47 -0.02 0.42 -1.57 0.00 0.00 175.55 174.74 1y3j s ILE 7 N -1.08 0.20 0.37 2.71 1.01 0.00 -0.51 121.20 123.91 1y3j s ILE 7 Ca 0.19 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.51 1y3j s ILE 7 Cb -0.12 -0.19 -0.09 0.00 0.01 0.00 0.00 42.46 42.07 1y3j s ILE 7 CO 0.10 0.07 1.01 -1.10 0.00 0.00 0.00 174.94 175.02 1y3j s GLN 8 N 0.06 4.32 -0.04 2.79 -0.21 0.37 -0.12 119.66 126.83 1y3j s GLN 8 Ca -0.00 1.43 0.00 0.00 0.02 0.00 0.00 55.36 56.81 1y3j s GLN 8 Cb -0.02 -2.61 0.03 0.00 1.00 0.00 0.00 33.01 31.40 1y3j s GLN 8 CO -0.00 0.01 -0.00 0.14 -2.12 0.00 0.00 175.29 173.32 1y3j s VAL 9 N -1.67 0.25 -1.54 1.09 -7.23 -1.26 -3.17 120.40 106.87 1y3j s VAL 9 Ca 0.55 0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.68 1y3j s VAL 9 Cb -0.20 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1y3j s VAL 9 CO 0.26 0.18 2.62 0.35 -0.31 0.00 0.00 175.10 178.20 1y3j n THR 10 N 4.37 3.90 0.00 5.32 -2.24 -1.26 -3.69 114.28 120.68 1y3j n THR 10 Ca -0.21 -2.75 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 1y3j n THR 10 Cb 0.50 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.13 1y3j n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y3j n GLY 11 N 3.82 -0.75 0.32 3.38 0.00 -1.26 -4.76 105.19 105.93 1y3j n GLY 11 Ca 0.66 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.89 1y3j n GLY 11 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1y3j h MET 12 N 0.00 -0.01 -0.22 1.61 -1.53 -1.94 -3.27 114.93 109.57 1y3j h MET 12 Ca 0.00 0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.17 1y3j h MET 12 Cb 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1y3j h MET 12 CO 0.00 -0.01 -0.27 1.15 0.14 0.00 0.00 176.91 177.93 1y3j h THR 13 N -0.01 1.26 -3.99 -0.77 2.02 -1.91 -3.45 112.91 106.06 1y3j h THR 13 Ca 0.39 -1.26 -0.54 0.00 0.77 0.00 0.00 66.41 65.77 1y3j h THR 13 Cb 0.61 1.39 0.11 0.00 -1.74 0.00 0.00 68.15 68.53 1y3j h THR 13 CO -0.86 0.39 0.67 0.00 0.37 0.00 0.00 175.52 176.09 1y3j s ALA 15 N -1.23 2.82 0.00 0.00 0.00 -1.26 -3.70 121.76 118.38 1y3j s ALA 15 Ca 0.62 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1y3j s ALA 15 Cb -0.42 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1y3j s ALA 15 CO 0.53 -1.31 0.00 0.43 0.00 0.00 0.00 175.76 175.41 1y3j n SER 16 N -1.01 0.00 -0.29 0.00 7.64 -1.26 -4.84 113.62 113.86 1y3j n SER 16 Ca 0.10 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.05 1y3j n SER 16 Cb 0.45 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.23 -0.55 0.00 2.07 -1.82 0.61 116.25 116.79 1y3j h VAL 18 Ca 0.42 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.89 1y3j h VAL 18 Cb 0.73 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1y3j h VAL 18 CO -0.81 0.03 0.36 0.00 0.02 0.00 0.00 177.57 177.17 1y3j h ALA 19 N 1.85 0.70 0.07 1.67 0.00 -0.61 -0.35 119.26 122.59 1y3j h ALA 19 Ca 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1y3j h ALA 19 Cb 1.36 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1y3j h ALA 19 CO -0.70 0.14 -0.06 -0.97 0.00 0.00 0.00 179.25 177.66 1y3j h ASN 20 N 0.75 -0.15 -0.46 0.00 -1.24 -0.03 -1.37 115.58 113.09 1y3j h ASN 20 Ca 0.20 0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.29 1y3j h ASN 20 Cb -0.09 0.05 -0.09 0.00 0.73 0.00 0.00 38.32 38.92 1y3j h ASN 20 CO -0.04 -0.09 -0.51 0.40 -1.29 0.00 0.00 177.43 175.89 1y3j h ILE 21 N -0.13 0.04 -0.75 2.57 2.04 -0.22 0.77 117.51 121.83 1y3j h ILE 21 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1y3j h ILE 21 Cb 0.12 0.04 -0.09 0.00 -0.74 0.00 0.00 36.82 36.15 1y3j h ILE 21 CO -0.01 0.00 -0.43 1.21 0.00 0.00 0.00 178.15 178.92 1y3j n GLU 22 N -5.39 -0.32 -0.08 2.37 0.00 -0.17 0.48 120.64 117.54 1y3j n GLU 22 Ca -0.02 1.13 0.03 0.00 0.00 0.00 0.00 57.16 58.30 1y3j n GLU 22 Cb 0.34 -1.66 0.36 0.00 0.00 0.00 0.00 31.44 30.48 1y3j n GLU 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1y3j h ARG 23 N 0.00 0.70 0.67 5.31 3.08 0.34 -2.92 114.38 121.55 1y3j h ARG 23 Ca 0.13 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1y3j h ARG 23 Cb 0.32 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.22 1y3j h ARG 23 CO -0.70 0.46 -0.32 -2.95 -1.07 0.00 0.00 179.97 175.38 1y3j h ASN 24 N 0.72 -0.76 1.35 7.04 -0.00 0.56 -2.17 115.58 122.32 1y3j h ASN 24 Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 1y3j h ASN 24 Cb -0.06 0.20 0.00 0.00 -0.00 0.00 0.00 38.32 38.46 1y3j h ASN 24 CO -0.05 -0.41 0.00 -0.07 -0.00 0.00 0.00 177.43 176.91 1y3j h LEU 25 N -1.15 0.00 0.00 6.14 4.07 -1.59 -1.06 115.31 121.72 1y3j h LEU 25 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1y3j h LEU 25 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1y3j h LEU 25 CO 0.15 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 178.05 1y3j n ARG 26 N -3.07 0.36 -0.58 1.13 1.74 -0.89 -1.28 116.66 114.08 1y3j n ARG 26 Ca 0.02 0.00 0.45 0.00 -0.77 0.00 0.00 57.85 57.55 1y3j n ARG 26 Cb 0.38 -1.35 0.72 0.00 -1.02 0.00 0.00 32.46 31.19 1y3j n ARG 26 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1y3j n ARG 27 N -0.85 -0.02 -3.24 5.56 5.12 -0.40 -4.88 116.66 117.95 1y3j n ARG 27 Ca 0.06 1.10 -0.16 0.00 -1.93 0.00 0.00 57.85 56.92 1y3j n ARG 27 Cb 0.03 -2.37 0.07 0.00 -1.16 0.00 0.00 32.46 29.03 1y3j n ARG 27 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1y3j n GLU 28 N -4.18 -5.76 -3.48 5.56 1.02 -0.40 -4.97 120.64 108.43 1y3j n GLU 28 Ca 0.41 0.67 -0.40 0.00 -0.02 0.00 0.00 57.16 57.81 1y3j n GLU 28 Cb 1.73 -5.19 -0.03 0.00 -0.02 0.00 0.00 31.44 27.94 1y3j n GLU 28 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1y3j n GLU 29 N -3.76 3.11 -2.02 3.49 1.02 -1.26 -4.51 120.64 116.70 1y3j n GLU 29 Ca -0.12 -4.47 -0.16 0.00 -0.02 0.00 0.00 57.16 52.38 1y3j n GLU 29 Cb 0.60 -2.48 -0.03 0.00 -0.02 0.00 0.00 31.44 29.51 1y3j n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y3j n GLY 30 N 2.44 0.36 3.93 0.62 0.00 -1.26 -4.64 105.19 106.65 1y3j n GLY 30 Ca 0.23 -0.21 -0.26 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 -2.75 5.08 -0.33 -0.61 -1.09 -1.26 -0.40 121.20 119.85 1y3j s ILE 31 Ca 0.00 -0.29 0.15 0.00 -2.23 0.00 0.00 60.65 58.29 1y3j s ILE 31 Cb 0.00 -3.82 0.43 0.00 -1.58 0.00 0.00 42.46 37.50 1y3j s ILE 31 CO 0.00 -0.47 1.39 0.00 -1.23 0.00 0.00 174.94 174.63 1y3j n TYR 32 N -1.48 -1.19 -3.92 3.97 9.36 0.48 -4.78 117.16 119.59 1y3j n TYR 32 Ca -0.04 -1.90 -0.01 0.00 3.32 0.00 0.00 57.90 59.28 1y3j n TYR 32 Cb 0.55 1.06 0.02 0.00 -0.63 0.00 0.00 39.34 40.34 1y3j n TYR 32 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1y3j n SER 33 N -1.14 -1.48 -4.00 2.98 2.88 -1.05 -4.75 113.62 107.06 1y3j n SER 33 Ca -0.09 -1.65 -0.17 0.00 -1.33 0.00 0.00 58.87 55.63 1y3j n SER 33 Cb 0.85 2.38 -0.14 0.00 -0.75 0.00 0.00 64.21 66.55 1y3j n SER 33 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1y3j s ILE 34 N -2.06 0.56 -0.08 2.46 1.10 -1.26 -4.49 121.20 117.44 1y3j s ILE 34 Ca 0.24 -0.39 -0.12 0.00 -0.51 0.00 0.00 60.65 59.86 1y3j s ILE 34 Cb -0.02 -0.49 0.03 0.00 0.15 0.00 0.00 42.46 42.12 1y3j s ILE 34 CO 0.03 0.10 0.31 -0.76 -2.11 0.00 0.00 174.94 172.51 1y3j s LEU 35 N -0.33 0.83 -0.48 8.50 1.02 -1.23 -4.98 118.68 122.00 1y3j s LEU 35 Ca 0.01 0.41 0.06 0.00 0.02 0.00 0.00 54.13 54.64 1y3j s LEU 35 Cb -0.04 1.15 0.18 0.00 0.02 0.00 0.00 46.19 47.51 1y3j s LEU 35 CO -0.00 -0.24 0.62 -0.69 0.02 0.00 0.00 176.35 176.05 1y3j s VAL 36 N -0.44 -0.65 -1.38 -1.59 1.01 -1.26 -1.25 120.40 114.84 1y3j s VAL 36 Ca -0.06 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 60.46 1y3j s VAL 36 Cb -0.04 -0.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.94 1y3j s VAL 36 CO 0.02 -0.33 2.62 0.00 0.00 0.00 0.00 175.10 177.41 1y3j n ALA 37 N 3.02 6.42 -0.28 5.51 0.00 -0.86 -4.61 120.51 129.70 1y3j n ALA 37 Ca 0.20 -3.13 0.11 0.00 0.00 0.00 0.00 53.44 50.62 1y3j n ALA 37 Cb 0.54 -3.30 0.25 0.00 0.00 0.00 0.00 19.45 16.94 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 7.94 0.01 -1.08 0.00 8.10 -1.93 0.11 115.31 128.45 1y3j h LEU 38 Ca 0.72 0.18 -0.05 0.00 0.11 0.00 0.00 57.88 58.84 1y3j h LEU 38 Cb 0.30 0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 1y3j h LEU 38 CO 1.71 -0.11 0.10 -0.03 -4.11 0.00 0.00 178.44 176.00 1y3j h MET 39 N 0.24 0.75 -0.04 0.17 4.05 -1.89 -0.18 114.93 118.03 1y3j h MET 39 Ca 0.51 -0.16 -0.21 0.00 -0.28 0.00 0.00 59.70 59.56 1y3j h MET 39 Cb 0.98 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1y3j h MET 39 CO -0.61 0.70 -0.86 0.00 0.23 0.00 0.00 176.91 176.37 1y3j h ALA 40 N 1.38 0.43 0.00 0.39 0.00 -1.77 -3.48 119.26 116.21 1y3j h ALA 40 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1y3j h ALA 40 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1y3j h ALA 40 CO 0.00 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1y3j n GLY 41 N 0.80 1.04 3.43 0.00 0.00 0.29 -5.13 105.19 105.62 1y3j n GLY 41 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.02 1.17 0.34 1.61 -2.85 -0.70 -4.58 119.74 114.71 1y3j s LYS 42 Ca 0.00 -0.30 -0.20 0.00 -1.00 0.00 0.00 55.97 54.47 1y3j s LYS 42 Cb 0.00 0.54 -0.10 0.00 -2.06 0.00 0.00 37.83 36.21 1y3j s LYS 42 CO 0.00 -0.47 0.85 0.00 0.10 0.00 0.00 175.35 175.83 1y3j s ALA 43 N -3.01 3.22 0.13 0.59 0.00 0.82 -2.03 121.76 121.48 1y3j s ALA 43 Ca -0.02 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1y3j s ALA 43 Cb -0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1y3j s ALA 43 CO -0.06 0.23 0.17 -1.21 0.00 0.00 0.00 175.76 174.88 1y3j s GLU 44 N -2.70 3.09 0.03 0.00 2.02 -0.38 -0.82 118.70 119.94 1y3j s GLU 44 Ca 0.54 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.83 1y3j s GLU 44 Cb -0.13 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1y3j s GLU 44 CO 0.18 0.53 -0.05 0.14 0.02 0.00 0.00 175.26 176.07 1y3j s VAL 45 N -1.64 0.31 -0.04 2.63 -7.23 0.47 -3.58 120.40 111.31 1y3j s VAL 45 Ca 0.32 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1y3j s VAL 45 Cb -0.11 -0.40 0.02 0.00 0.56 0.00 0.00 36.38 36.45 1y3j s VAL 45 CO 0.25 -0.36 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.02 1y3j s ARG 46 N -1.29 0.95 0.24 4.82 3.52 -1.26 -0.87 118.95 125.06 1y3j s ARG 46 Ca -0.11 -0.17 -0.18 0.00 -0.13 0.00 0.00 55.73 55.14 1y3j s ARG 46 Cb -0.09 -0.90 0.02 0.00 -1.56 0.00 0.00 34.95 32.42 1y3j s ARG 46 CO -0.00 -0.04 0.59 1.52 -0.81 0.00 0.00 175.30 176.56 1y3j s TYR 47 N 0.76 -0.04 -0.43 5.12 -0.85 -0.09 -0.39 117.35 121.42 1y3j s TYR 47 Ca -0.11 -0.34 -0.10 0.00 -0.52 0.00 0.00 57.07 56.00 1y3j s TYR 47 Cb -0.14 0.46 0.08 0.00 0.38 0.00 0.00 41.96 42.75 1y3j s TYR 47 CO 0.01 -1.05 0.28 0.54 -1.52 0.00 0.00 175.55 173.81 1y3j s ASN 48 N -2.92 5.70 -1.19 -0.18 4.22 0.46 -0.08 114.94 120.96 1y3j s ASN 48 Ca 0.13 -1.53 -0.18 0.00 -2.14 0.00 0.00 52.86 49.13 1y3j s ASN 48 Cb -0.03 -2.01 -0.03 0.00 1.28 0.00 0.00 41.25 40.46 1y3j s ASN 48 CO 0.03 -0.57 2.01 -0.81 -2.04 0.00 0.00 177.10 175.73 1y3j n PRO 49 N 4.95 2.34 0.10 3.55 -0.04 -1.26 -3.31 135.00 141.33 1y3j n PRO 49 Ca -0.10 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1y3j n PRO 49 Cb 0.43 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 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 7.96 2.59 0.05 0.55 0.00 -1.26 -4.91 120.51 125.49 1y3j n ALA 50 Ca 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 1y3j n ALA 50 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 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 0.62 0.00 0.00 2.07 -1.93 -3.39 116.25 113.62 1y3j h VAL 51 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1y3j h VAL 51 Cb 0.00 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1y3j h VAL 51 CO 0.00 0.00 -0.46 -0.29 0.02 0.00 0.00 177.57 176.84 1y3j h ILE 52 N -0.26 1.11 -3.23 4.57 2.10 -1.81 -3.49 117.51 116.51 1y3j h ILE 52 Ca 0.05 -2.00 0.00 0.00 1.08 0.00 0.00 64.86 64.00 1y3j h ILE 52 Cb 0.32 2.27 -0.00 0.00 -1.09 0.00 0.00 36.82 38.32 1y3j h ILE 52 CO -0.16 0.38 -0.45 0.00 -1.08 0.00 0.00 178.15 176.84 1y3j n GLN 53 N -4.57 -2.29 -0.33 2.19 3.00 -1.26 -4.50 117.38 109.62 1y3j n GLN 53 Ca -0.16 1.94 0.18 0.00 -0.01 0.00 0.00 57.00 58.95 1y3j n GLN 53 Cb 0.47 -2.39 0.38 0.00 0.00 0.00 0.00 30.24 28.69 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 1.88 0.39 -0.21 -1.09 0.11 -1.98 0.20 132.00 131.30 1y3j h PRO 54 Ca -0.01 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.12 1y3j h PRO 54 Cb 0.03 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.01 1y3j h PRO 54 CO 0.00 0.26 -0.08 -1.00 -0.21 0.00 0.00 178.00 176.97 1y3j h PRO 55 N 0.40 -0.04 -0.76 1.05 0.13 -1.99 -0.70 132.00 130.09 1y3j h PRO 55 Ca 0.64 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.78 1y3j h PRO 55 Cb 1.32 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1y3j h PRO 55 CO -0.56 -0.03 0.50 0.52 -0.23 0.00 0.00 178.00 178.21 1y3j h MET 56 N -0.04 0.99 -0.36 0.86 2.86 -0.97 -0.58 114.93 117.69 1y3j h MET 56 Ca 0.11 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1y3j h MET 56 Cb 0.21 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1y3j h MET 56 CO -0.24 0.66 0.18 -0.84 1.06 0.00 0.00 176.91 177.72 1y3j h ILE 57 N 1.02 0.98 -0.62 -1.22 3.07 -0.59 0.21 117.51 120.37 1y3j h ILE 57 Ca 0.28 -0.13 0.11 0.00 1.55 0.00 0.00 64.86 66.68 1y3j h ILE 57 Cb -0.12 0.58 -0.09 0.00 -0.27 0.00 0.00 36.82 36.93 1y3j h ILE 57 CO -0.06 0.07 0.15 0.00 -1.05 0.00 0.00 178.15 177.26 1y3j h ALA 58 N 1.19 0.76 0.74 0.16 0.00 -0.28 -0.51 119.26 121.31 1y3j h ALA 58 Ca 0.15 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1y3j h ALA 58 Cb 0.06 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1y3j h ALA 58 CO -0.11 -0.29 -0.36 0.93 0.00 0.00 0.00 179.25 179.43 1y3j h GLU 59 N 0.29 -0.96 -0.79 0.00 4.39 -0.81 -3.23 114.58 113.47 1y3j h GLU 59 Ca 0.33 0.07 0.18 0.00 0.34 0.00 0.00 59.36 60.28 1y3j h GLU 59 Cb 0.48 0.22 -0.14 0.00 -0.10 0.00 0.00 28.75 29.21 1y3j h GLU 59 CO -0.40 -0.64 0.02 0.74 -1.16 0.00 0.00 179.01 177.57 1y3j h PHE 60 N -1.19 -0.03 -1.00 4.33 -1.00 -0.20 0.32 116.94 118.18 1y3j h PHE 60 Ca -0.10 0.06 0.06 0.00 2.81 0.00 0.00 57.97 60.79 1y3j h PHE 60 Cb 0.76 0.14 -0.06 0.00 3.61 0.00 0.00 35.95 40.40 1y3j h PHE 60 CO 0.01 -0.26 0.65 0.82 -1.61 0.00 0.00 178.31 177.93 1y3j h ILE 61 N 0.10 1.11 -0.13 -0.55 2.04 -1.19 0.68 117.51 119.58 1y3j h ILE 61 Ca 0.44 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1y3j h ILE 61 Cb 0.79 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1y3j h ILE 61 CO -0.69 0.22 -0.13 0.03 0.00 0.00 0.00 178.15 177.57 1y3j h ARG 62 N 1.19 0.32 -0.50 2.37 3.08 -0.49 0.21 114.38 120.57 1y3j h ARG 62 Ca 0.42 -0.17 0.08 0.00 0.07 0.00 0.00 59.98 60.38 1y3j h ARG 62 Cb 0.12 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 1y3j h ARG 62 CO -0.15 0.72 0.12 0.93 -1.07 0.00 0.00 179.97 180.52 1y3j h GLU 63 N -0.06 0.26 0.06 0.04 5.08 -0.18 -3.18 114.58 116.60 1y3j h GLU 63 Ca 0.02 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.04 1y3j h GLU 63 Cb 0.66 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1y3j h GLU 63 CO 0.03 0.17 -1.83 1.37 -1.00 0.00 0.00 179.01 177.75 1y3j h LEU 64 N 0.27 0.20 0.00 1.33 8.10 -0.96 -3.48 115.31 120.77 1y3j h LEU 64 Ca 0.25 -0.45 0.00 0.00 0.11 0.00 0.00 57.88 57.78 1y3j h LEU 64 Cb 0.31 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1y3j h LEU 64 CO -0.30 1.40 0.00 0.61 -4.11 0.00 0.00 178.44 176.05 1y3j n GLY 65 N 1.76 0.19 3.65 0.17 0.00 0.58 -5.09 105.19 106.44 1y3j n GLY 65 Ca -0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.07 -0.25 -1.42 1.61 -0.12 -0.31 -4.96 117.98 112.47 1y3j s PHE 66 Ca 0.00 -0.00 -0.13 0.00 -0.05 0.00 0.00 56.93 56.75 1y3j s PHE 66 Cb 0.00 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 1y3j s PHE 66 CO 0.00 -0.76 2.44 0.41 -0.05 0.00 0.00 175.22 177.26 1y3j n GLY 67 N -0.38 4.12 3.86 1.99 0.00 -1.26 -3.40 105.19 110.12 1y3j n GLY 67 Ca -0.08 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 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 3.03 3.54 -0.00 4.61 0.00 -1.26 -4.46 121.76 127.21 1y3j s ALA 68 Ca 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 1y3j s ALA 68 Cb 0.15 -2.50 -0.00 0.00 0.00 0.00 0.00 23.12 20.76 1y3j s ALA 68 CO -0.06 0.47 0.04 -0.08 0.00 0.00 0.00 175.76 176.13 1y3j s THR 69 N -1.73 0.05 -0.02 0.00 -1.32 -1.19 -4.84 115.64 106.60 1y3j s THR 69 Ca 0.45 -0.43 -0.28 0.00 -1.21 0.00 0.00 61.69 60.23 1y3j s THR 69 Cb -0.12 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.63 1y3j s THR 69 CO 0.20 -0.23 0.90 -0.69 -2.21 0.00 0.00 174.62 172.59 1y3j s VAL 70 N -0.72 4.91 -0.41 5.08 1.01 -1.26 -0.48 120.40 128.54 1y3j s VAL 70 Ca -0.08 1.89 0.10 0.00 0.00 0.00 0.00 61.98 63.89 1y3j s VAL 70 Cb -0.05 -4.24 0.34 0.00 0.00 0.00 0.00 36.38 32.43 1y3j s VAL 70 CO -0.00 0.19 0.89 2.30 0.00 0.00 0.00 175.10 178.48 1y3j n ILE 71 N 3.84 -0.09 -1.72 2.22 -5.35 0.34 -4.94 119.36 113.66 1y3j n ILE 71 Ca 0.04 -3.33 -0.43 0.00 -0.27 0.00 0.00 62.75 58.76 1y3j n ILE 71 Cb 0.51 0.45 -0.02 0.00 -1.74 0.00 0.00 39.64 38.85 1y3j n ILE 71 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1y3j n GLU 72 N 0.30 2.42 0.00 6.28 4.07 -1.21 -4.38 120.64 128.12 1y3j n GLU 72 Ca 0.17 0.86 0.00 0.00 -0.06 0.00 0.00 57.16 58.13 1y3j n GLU 72 Cb 0.68 -2.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.48 1y3j n GLU 72 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1y3j n ASN 73 N 1.86 0.00 -2.58 4.31 2.85 -1.26 -4.95 115.26 115.50 1y3j n ASN 73 Ca 0.08 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.50 1y3j n ASN 73 Cb 0.35 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.38 1y3j n ASN 73 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1y3j n ILE 74 N -0.06 -9.06 -0.04 -1.44 5.41 -1.26 -4.94 119.36 107.97 1y3j n ILE 74 Ca 0.00 0.60 -0.13 0.00 1.00 0.00 0.00 62.75 64.23 1y3j n ILE 74 Cb 0.00 -6.56 -0.08 0.00 -0.71 0.00 0.00 39.64 32.30 1y3j n ILE 74 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1y3j h GLU 75 N 1.43 0.21 0.00 0.38 4.39 -2.03 -3.50 114.58 115.45 1y3j h GLU 75 Ca 0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1y3j h GLU 75 Cb 0.81 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1y3j h GLU 75 CO 0.17 0.56 0.00 0.41 -1.16 0.00 0.00 179.01 178.98 1y3j n GLY 76 N 0.00 -0.47 0.00 -3.84 0.00 -1.26 -5.29 105.19 94.33 1y3j n GLY 76 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1y3j n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19