#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 3.04 -4.87 6.41 3.41 -1.26 -4.29 113.62 116.06 1y3j n SER 2 Ca 0.00 -2.72 -0.23 0.00 -0.26 0.00 0.00 58.87 55.67 1y3j n SER 2 Cb 0.00 -1.49 0.06 0.00 -0.26 0.00 0.00 64.21 62.52 1y3j n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y3j s SER 3 N 5.58 4.90 0.20 4.04 1.04 -1.13 -4.79 113.70 123.54 1y3j s SER 3 Ca 0.62 -0.04 0.07 0.00 0.48 0.00 0.00 55.95 57.08 1y3j s SER 3 Cb 0.06 -0.65 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 1y3j s SER 3 CO 0.12 -1.45 0.08 -0.75 0.98 0.00 0.00 173.24 172.22 1y3j s LYS 4 N -4.96 2.65 0.29 4.02 2.20 -1.26 -1.63 119.74 121.04 1y3j s LYS 4 Ca 0.61 -1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 1y3j s LYS 4 Cb -0.09 -2.46 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1y3j s LYS 4 CO 0.41 0.44 0.36 0.00 -0.36 0.00 0.00 175.35 176.20 1y3j s TYR 6 N -3.54 2.59 -0.06 0.00 1.51 -1.26 -0.95 117.35 115.65 1y3j s TYR 6 Ca 0.33 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1y3j s TYR 6 Cb 0.02 -1.59 0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1y3j s TYR 6 CO 0.18 0.11 0.00 0.96 -1.11 0.00 0.00 175.55 175.69 1y3j s ILE 7 N -0.67 0.31 0.06 2.71 -4.36 -0.57 -0.96 121.20 117.71 1y3j s ILE 7 Ca 0.11 0.12 -0.30 0.00 -0.26 0.00 0.00 60.65 60.32 1y3j s ILE 7 Cb -0.11 -0.45 -0.04 0.00 1.25 0.00 0.00 42.46 43.11 1y3j s ILE 7 CO 0.00 0.23 0.96 -1.10 0.24 0.00 0.00 174.94 175.26 1y3j s GLN 8 N 1.70 4.62 -0.23 0.37 -0.21 0.43 0.12 119.66 126.46 1y3j s GLN 8 Ca 0.00 1.41 -0.06 0.00 0.02 0.00 0.00 55.36 56.73 1y3j s GLN 8 Cb -0.13 -3.41 -0.02 0.00 1.00 0.00 0.00 33.01 30.45 1y3j s GLN 8 CO -0.04 0.10 0.03 0.14 -2.12 0.00 0.00 175.29 173.40 1y3j s VAL 9 N 0.46 4.04 -0.70 1.09 -7.23 -1.26 -0.56 120.40 116.24 1y3j s VAL 9 Ca 0.49 -0.27 -0.25 0.00 -1.81 0.00 0.00 61.98 60.14 1y3j s VAL 9 Cb -0.22 -2.87 -0.21 0.00 0.56 0.00 0.00 36.38 33.64 1y3j s VAL 9 CO 0.29 0.38 1.86 0.41 -0.31 0.00 0.00 175.10 177.72 1y3j n THR 10 N 4.74 1.12 0.07 5.32 -1.04 -0.18 -2.68 114.28 121.63 1y3j n THR 10 Ca -0.17 -1.05 0.00 0.00 -2.04 0.00 0.00 64.05 60.80 1y3j n THR 10 Cb 0.51 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 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 5.14 -1.45 4.55 3.41 0.00 -1.26 -4.58 105.19 110.99 1y3j n GLY 11 Ca 0.47 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.98 1y3j n GLY 11 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y3j n MET 12 N -3.08 0.00 -2.73 1.61 1.56 -1.09 -3.97 117.12 109.41 1y3j n MET 12 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.34 1y3j n MET 12 Cb 0.00 -0.83 0.09 0.00 2.15 0.00 0.00 33.22 34.63 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 0.00 0.16 -0.26 1.12 5.66 -1.26 -4.91 114.28 114.78 1y3j n THR 13 Ca 0.00 -1.98 -0.02 0.00 -3.05 0.00 0.00 64.05 59.00 1y3j n THR 13 Cb 0.00 0.97 0.09 0.00 -1.55 0.00 0.00 70.33 69.84 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 -2.33 0.00 -1.45 0.00 0.00 -1.26 -4.97 120.51 110.50 1y3j n ALA 15 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 1y3j n ALA 15 Cb 0.12 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 7.57 -0.05 0.00 3.41 -1.26 -4.67 113.62 118.61 1y3j n SER 16 Ca 0.00 -3.74 -0.08 0.00 -0.26 0.00 0.00 58.87 54.79 1y3j n SER 16 Cb 0.00 -1.01 -0.01 0.00 -0.26 0.00 0.00 64.21 62.92 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 -0.15 0.54 -0.24 0.00 3.04 -1.92 -1.80 116.25 115.72 1y3j h VAL 18 Ca 0.14 -0.31 0.05 0.00 -1.01 0.00 0.00 66.70 65.57 1y3j h VAL 18 Cb 0.36 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1y3j h VAL 18 CO -0.34 0.05 0.17 0.00 -1.01 0.00 0.00 177.57 176.44 1y3j h ALA 19 N -0.31 2.09 0.44 3.17 0.00 -1.83 0.24 119.26 123.06 1y3j h ALA 19 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1y3j h ALA 19 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1y3j h ALA 19 CO 0.10 -0.14 -0.21 -2.95 0.00 0.00 0.00 179.25 176.05 1y3j h ASN 20 N 0.11 -0.49 -0.41 0.00 7.08 -0.46 -3.31 115.58 118.09 1y3j h ASN 20 Ca 0.11 -0.10 -0.04 0.00 -3.08 0.00 0.00 56.30 53.20 1y3j h ASN 20 Cb 0.30 0.13 -0.02 0.00 -2.08 0.00 0.00 38.32 36.64 1y3j h ASN 20 CO -0.01 -0.09 0.15 0.40 -2.08 0.00 0.00 177.43 175.79 1y3j h ILE 21 N -0.99 1.19 -0.70 6.14 2.04 -0.16 0.81 117.51 125.83 1y3j h ILE 21 Ca -0.06 -0.66 0.10 0.00 1.00 0.00 0.00 64.86 65.24 1y3j h ILE 21 Cb 0.56 0.68 -0.12 0.00 -0.74 0.00 0.00 36.82 37.20 1y3j h ILE 21 CO 0.10 0.25 -0.45 -0.33 0.00 0.00 0.00 178.15 177.71 1y3j h GLU 22 N 0.68 -0.16 -0.43 2.37 5.08 -0.74 0.21 114.58 121.59 1y3j h GLU 22 Ca 0.16 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1y3j h GLU 22 Cb 0.20 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1y3j h GLU 22 CO -0.01 -0.11 0.16 0.00 -1.00 0.00 0.00 179.01 178.05 1y3j h ARG 23 N -0.16 0.65 -0.75 2.33 -0.00 -1.12 -1.37 114.38 113.97 1y3j h ARG 23 Ca 0.20 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 1y3j h ARG 23 Cb 0.55 -0.10 -0.04 0.00 0.00 0.00 0.00 29.97 30.38 1y3j h ARG 23 CO -0.77 0.61 0.48 -2.95 0.00 0.00 0.00 179.97 177.34 1y3j h ASN 24 N 0.55 0.87 0.16 7.04 -0.00 0.15 -2.06 115.58 122.28 1y3j h ASN 24 Ca 0.14 -0.04 -0.21 0.00 -0.00 0.00 0.00 56.30 56.19 1y3j h ASN 24 Cb 0.22 -0.22 0.02 0.00 -0.00 0.00 0.00 38.32 38.34 1y3j h ASN 24 CO -0.01 0.65 -0.93 -0.07 -0.00 0.00 0.00 177.43 177.07 1y3j h LEU 25 N 1.01 0.51 -2.04 6.14 4.07 -0.84 -3.37 115.31 120.80 1y3j h LEU 25 Ca 0.27 -0.95 -0.00 0.00 0.08 0.00 0.00 57.88 57.28 1y3j h LEU 25 Cb -0.09 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.48 1y3j h LEU 25 CO -0.06 1.45 -0.01 0.03 -1.08 0.00 0.00 178.44 178.77 1y3j h ARG 26 N -0.30 0.00 -0.36 1.13 3.08 -0.98 -2.21 114.38 114.74 1y3j h ARG 26 Ca -0.17 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.92 1y3j h ARG 26 Cb 1.72 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.72 1y3j h ARG 26 CO 0.16 0.01 -0.21 0.54 -1.07 0.00 0.00 179.97 179.41 1y3j n ARG 27 N -3.14 -0.16 0.00 0.04 5.12 -0.80 -4.99 116.66 112.74 1y3j n ARG 27 Ca -0.01 0.68 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 1y3j n ARG 27 Cb 0.22 -1.01 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 1y3j n ARG 27 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1y3j n GLU 28 N -4.02 -1.52 0.00 5.56 0.28 -0.83 -5.07 120.64 115.04 1y3j n GLU 28 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1y3j n GLU 28 Cb 0.09 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.96 1y3j n GLU 28 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1y3j n GLU 29 N -1.45 0.00 -3.74 3.44 1.02 -1.26 -4.64 120.64 114.00 1y3j n GLU 29 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1y3j n GLU 29 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 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 -0.72 -0.46 3.77 0.62 0.00 -1.26 -4.61 105.19 102.53 1y3j n GLY 30 Ca 0.00 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.38 3.51 -0.29 -0.61 1.09 -1.26 -0.42 121.20 119.83 1y3j s ILE 31 Ca 0.46 1.36 0.19 0.00 -1.10 0.00 0.00 60.65 61.56 1y3j s ILE 31 Cb -0.22 -3.80 0.47 0.00 -1.06 0.00 0.00 42.46 37.85 1y3j s ILE 31 CO 0.79 0.20 1.21 -1.22 -0.10 0.00 0.00 174.94 175.82 1y3j n TYR 32 N 0.61 0.25 -3.52 3.97 4.01 0.32 -4.89 117.16 117.90 1y3j n TYR 32 Ca 0.02 -2.11 -0.09 0.00 -0.16 0.00 0.00 57.90 55.55 1y3j n TYR 32 Cb 0.47 0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 39.74 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 -2.94 -0.36 0.01 7.72 0.01 -0.91 -4.80 113.70 112.44 1y3j s SER 33 Ca 0.22 0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.61 1y3j s SER 33 Cb 0.37 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.92 1y3j s SER 33 CO -0.05 -0.54 -0.04 -0.51 0.41 0.00 0.00 173.24 172.51 1y3j s ILE 34 N -2.63 3.86 -0.02 1.44 -1.16 -1.26 -3.53 121.20 117.90 1y3j s ILE 34 Ca 0.04 -0.74 -0.11 0.00 -0.51 0.00 0.00 60.65 59.32 1y3j s ILE 34 Cb -0.01 -2.71 0.02 0.00 0.61 0.00 0.00 42.46 40.37 1y3j s ILE 34 CO -0.06 0.36 0.25 -0.76 -2.81 0.00 0.00 174.94 171.92 1y3j s LEU 35 N -1.55 1.10 -0.33 8.50 1.02 -1.24 -4.99 118.68 121.18 1y3j s LEU 35 Ca 0.19 0.06 0.05 0.00 0.02 0.00 0.00 54.13 54.45 1y3j s LEU 35 Cb -0.11 1.02 0.18 0.00 0.02 0.00 0.00 46.19 47.30 1y3j s LEU 35 CO 0.09 -0.37 0.53 -0.69 0.02 0.00 0.00 176.35 175.94 1y3j s VAL 36 N -1.12 -0.83 -1.31 -1.59 1.01 -1.26 -2.40 120.40 112.89 1y3j s VAL 36 Ca -0.12 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 1y3j s VAL 36 Cb -0.06 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1y3j s VAL 36 CO 0.03 -0.14 2.34 0.00 0.00 0.00 0.00 175.10 177.33 1y3j n ALA 37 N 5.00 5.54 -0.26 5.51 0.00 -0.55 -4.67 120.51 131.08 1y3j n ALA 37 Ca 0.06 -3.47 0.14 0.00 0.00 0.00 0.00 53.44 50.18 1y3j n ALA 37 Cb 0.53 -3.46 0.42 0.00 0.00 0.00 0.00 19.45 16.94 1y3j n ALA 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1y3j h LEU 38 N 9.76 0.58 -1.04 0.00 3.38 -1.95 0.19 115.31 126.23 1y3j h LEU 38 Ca 0.61 0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.81 1y3j h LEU 38 Cb 0.50 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 1y3j h LEU 38 CO 1.83 0.27 0.61 -0.03 0.09 0.00 0.00 178.44 181.21 1y3j h MET 39 N 0.59 0.73 0.00 1.13 4.05 -1.90 -1.25 114.93 118.28 1y3j h MET 39 Ca 0.46 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.73 1y3j h MET 39 Cb 0.88 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 1y3j h MET 39 CO -0.21 0.49 -1.16 0.00 0.23 0.00 0.00 176.91 176.26 1y3j h ALA 40 N 1.64 0.62 -0.65 0.39 0.00 -1.14 -3.48 119.26 116.65 1y3j h ALA 40 Ca 0.57 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y3j h ALA 40 Cb 0.90 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1y3j h ALA 40 CO -0.36 0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1y3j n GLY 41 N 1.31 0.88 3.37 0.00 0.00 0.13 -5.09 105.19 105.79 1y3j n GLY 41 Ca -0.05 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.54 1.11 0.62 1.61 -2.85 -1.06 -4.69 119.74 111.94 1y3j s LYS 42 Ca 0.00 -0.49 -0.08 0.00 -1.00 0.00 0.00 55.97 54.40 1y3j s LYS 42 Cb 0.00 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1y3j s LYS 42 CO 0.00 -0.44 0.96 0.00 0.10 0.00 0.00 175.35 175.98 1y3j s ALA 43 N -3.31 3.16 0.13 0.59 0.00 0.12 -1.49 121.76 120.96 1y3j s ALA 43 Ca -0.00 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1y3j s ALA 43 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1y3j s ALA 43 CO -0.09 -0.87 -0.11 -1.21 0.00 0.00 0.00 175.76 173.48 1y3j s GLU 44 N -5.10 1.01 0.01 0.00 2.02 -1.01 -1.51 118.70 114.12 1y3j s GLU 44 Ca 0.55 -1.34 0.02 0.00 0.02 0.00 0.00 54.97 54.22 1y3j s GLU 44 Cb -0.11 -0.69 -0.01 0.00 0.10 0.00 0.00 34.13 33.43 1y3j s GLU 44 CO 0.48 0.10 -0.07 0.14 0.02 0.00 0.00 175.26 175.93 1y3j s VAL 45 N -2.84 0.58 -0.10 2.63 -7.23 -0.12 -3.71 120.40 109.61 1y3j s VAL 45 Ca 0.13 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 59.81 1y3j s VAL 45 Cb -0.01 -0.52 0.02 0.00 0.56 0.00 0.00 36.38 36.43 1y3j s VAL 45 CO 0.01 0.03 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.11 1y3j s ARG 46 N -0.52 1.94 0.29 4.82 3.52 -1.23 -0.68 118.95 127.10 1y3j s ARG 46 Ca 0.00 -0.46 -0.17 0.00 -0.13 0.00 0.00 55.73 54.97 1y3j s ARG 46 Cb -0.04 -1.69 0.02 0.00 -1.56 0.00 0.00 34.95 31.67 1y3j s ARG 46 CO 0.00 -0.08 0.66 1.52 -0.81 0.00 0.00 175.30 176.59 1y3j s TYR 47 N 1.03 0.06 -0.68 5.12 1.13 -0.65 -0.52 117.35 122.84 1y3j s TYR 47 Ca -0.07 -0.52 -0.11 0.00 -1.41 0.00 0.00 57.07 54.96 1y3j s TYR 47 Cb -0.15 0.56 0.18 0.00 -1.10 0.00 0.00 41.96 41.45 1y3j s TYR 47 CO -0.01 -1.23 0.58 1.21 -2.51 0.00 0.00 175.55 173.59 1y3j s ASN 48 N -2.99 6.18 -1.12 -0.18 2.47 0.44 -2.83 114.94 116.91 1y3j s ASN 48 Ca 0.16 -2.44 -0.25 0.00 0.42 0.00 0.00 52.86 50.75 1y3j s ASN 48 Cb -0.04 -2.10 -0.15 0.00 -1.45 0.00 0.00 41.25 37.50 1y3j s ASN 48 CO 0.09 -0.60 2.03 -2.16 -3.72 0.00 0.00 177.10 172.74 1y3j s PRO 49 N 0.56 1.85 0.18 0.43 0.04 -1.26 -2.10 135.00 134.71 1y3j s PRO 49 Ca 0.13 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.42 1y3j s PRO 49 Cb -0.18 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1y3j s PRO 49 CO -0.04 -4.70 0.00 0.00 0.04 0.00 0.00 177.00 172.30 1y3j n ALA 50 N 16.99 0.00 0.21 8.56 0.00 -1.26 -4.84 120.51 140.17 1y3j n ALA 50 Ca 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 1y3j n ALA 50 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 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 0.40 0.00 0.00 2.07 -1.82 -3.41 116.25 113.48 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 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 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 -5.41 0.00 0.00 4.57 0.13 -1.13 -4.97 119.36 112.56 1y3j n ILE 52 Ca -0.10 0.21 0.00 0.00 -1.10 0.00 0.00 62.75 61.76 1y3j n ILE 52 Cb 0.32 -1.08 0.00 0.00 -0.84 0.00 0.00 39.64 38.03 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 -1.75 0.00 -0.12 9.51 3.00 -1.26 -4.61 117.38 122.15 1y3j n GLN 53 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1y3j n GLN 53 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.25 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 -0.06 -0.47 -1.09 0.11 -1.94 0.30 132.00 128.84 1y3j h PRO 54 Ca 0.00 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.20 1y3j h PRO 54 Cb 0.00 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.05 1y3j h PRO 54 CO 0.00 -0.04 -0.01 -1.00 -0.21 0.00 0.00 178.00 176.73 1y3j h PRO 55 N -0.07 0.10 -0.31 1.05 0.13 -1.98 -0.58 132.00 130.33 1y3j h PRO 55 Ca 0.20 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.24 1y3j h PRO 55 Cb 0.37 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 1y3j h PRO 55 CO -0.45 0.06 -0.15 0.52 -0.23 0.00 0.00 178.00 177.76 1y3j h MET 56 N 0.10 0.55 -0.18 0.86 2.86 -1.04 0.18 114.93 118.25 1y3j h MET 56 Ca 0.23 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1y3j h MET 56 Cb 0.35 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1y3j h MET 56 CO -0.40 0.68 -0.21 0.97 1.06 0.00 0.00 176.91 179.01 1y3j h ILE 57 N 0.50 1.34 -0.93 -1.22 2.10 -0.33 0.92 117.51 119.89 1y3j h ILE 57 Ca 0.09 -1.40 0.13 0.00 1.08 0.00 0.00 64.86 64.76 1y3j h ILE 57 Cb 0.55 1.82 -0.09 0.00 -1.09 0.00 0.00 36.82 38.01 1y3j h ILE 57 CO 0.04 0.42 0.55 0.00 -1.08 0.00 0.00 178.15 178.08 1y3j h ALA 58 N 0.62 1.42 0.68 0.18 0.00 -0.53 -1.44 119.26 120.18 1y3j h ALA 58 Ca 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1y3j h ALA 58 Cb 0.77 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1y3j h ALA 58 CO 0.05 0.09 -0.32 0.93 0.00 0.00 0.00 179.25 180.00 1y3j h GLU 59 N 0.84 -0.87 -0.81 0.00 4.39 -0.55 -3.25 114.58 114.32 1y3j h GLU 59 Ca 0.48 0.06 0.11 0.00 0.34 0.00 0.00 59.36 60.35 1y3j h GLU 59 Cb 0.56 0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 29.33 1y3j h GLU 59 CO -0.30 -0.58 0.44 0.74 -1.16 0.00 0.00 179.01 178.15 1y3j h PHE 60 N -1.24 0.79 -0.83 4.33 -1.00 -0.42 0.44 116.94 119.01 1y3j h PHE 60 Ca -0.09 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.81 1y3j h PHE 60 Cb 0.70 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 39.97 1y3j h PHE 60 CO 0.00 0.29 0.54 0.82 -1.61 0.00 0.00 178.31 178.35 1y3j h ILE 61 N 0.72 0.96 -0.21 -0.55 2.04 -1.41 0.16 117.51 119.22 1y3j h ILE 61 Ca 0.40 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.89 1y3j h ILE 61 Cb 0.43 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1y3j h ILE 61 CO -0.28 0.15 -0.24 0.03 0.00 0.00 0.00 178.15 177.80 1y3j h ARG 62 N 0.80 0.53 -0.60 2.37 3.08 -0.11 0.33 114.38 120.78 1y3j h ARG 62 Ca 0.38 -0.29 0.09 0.00 0.07 0.00 0.00 59.98 60.23 1y3j h ARG 62 Cb 0.41 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1y3j h ARG 62 CO -0.15 0.88 0.40 0.93 -1.07 0.00 0.00 179.97 180.97 1y3j h GLU 63 N 0.20 0.43 0.00 0.04 5.08 0.38 0.19 114.58 120.90 1y3j h GLU 63 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y3j h GLU 63 Cb 0.81 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1y3j h GLU 63 CO 0.06 0.28 0.00 -0.07 -1.00 0.00 0.00 179.01 178.28 1y3j h LEU 64 N 0.44 0.00 0.00 1.33 3.38 -0.66 -3.47 115.31 116.33 1y3j h LEU 64 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1y3j h LEU 64 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1y3j h LEU 64 CO -0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.06 1y3j n GLY 65 N 1.08 0.80 3.40 0.83 0.00 0.67 -5.08 105.19 106.88 1y3j n GLY 65 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.33 3.06 -0.62 1.61 0.08 0.05 -4.91 117.98 116.91 1y3j s PHE 66 Ca 0.00 -0.62 -0.23 0.00 0.12 0.00 0.00 56.93 56.20 1y3j s PHE 66 Cb 0.00 -2.20 -0.19 0.00 -0.57 0.00 0.00 43.02 40.05 1y3j s PHE 66 CO 0.00 -0.43 1.86 0.41 -0.10 0.00 0.00 175.22 176.95 1y3j n GLY 67 N 4.88 2.20 3.65 4.36 0.00 -1.26 -2.88 105.19 116.15 1y3j n GLY 67 Ca -0.17 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 5.30 3.62 -0.16 4.61 0.00 -1.26 -1.01 121.76 132.86 1y3j s ALA 68 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1y3j s ALA 68 Cb 0.14 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1y3j s ALA 68 CO 0.15 -0.87 -0.14 0.95 0.00 0.00 0.00 175.76 175.85 1y3j s THR 69 N 2.71 1.63 -0.04 0.00 -4.23 0.27 -4.88 115.64 111.09 1y3j s THR 69 Ca 0.38 -0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 59.90 1y3j s THR 69 Cb -0.16 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 1y3j s THR 69 CO 0.09 0.43 0.95 -0.69 -0.54 0.00 0.00 174.62 174.86 1y3j s VAL 70 N 1.46 4.87 -0.38 2.29 1.01 -1.26 -0.43 120.40 127.96 1y3j s VAL 70 Ca 0.04 1.96 0.12 0.00 0.00 0.00 0.00 61.98 64.10 1y3j s VAL 70 Cb -0.13 -4.28 0.36 0.00 0.00 0.00 0.00 36.38 32.33 1y3j s VAL 70 CO -0.11 0.12 0.75 2.30 0.00 0.00 0.00 175.10 178.17 1y3j n ILE 71 N 4.10 0.03 -1.90 2.22 -5.35 -0.13 -4.95 119.36 113.37 1y3j n ILE 71 Ca 0.06 -4.56 -0.42 0.00 -0.27 0.00 0.00 62.75 57.56 1y3j n ILE 71 Cb 0.50 -0.26 -0.00 0.00 -1.74 0.00 0.00 39.64 38.14 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 0.24 3.17 -3.53 6.28 2.13 -1.26 -4.70 120.64 122.97 1y3j n GLU 72 Ca 0.25 -2.89 -0.17 0.00 0.66 0.00 0.00 57.16 55.01 1y3j n GLU 72 Cb 0.66 -3.14 -0.06 0.00 0.27 0.00 0.00 31.44 29.17 1y3j n GLU 72 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1y3j s ASN 73 N 2.36 -0.62 0.00 4.31 3.84 -1.26 -5.07 114.94 118.50 1y3j s ASN 73 Ca 0.46 0.67 0.07 0.00 0.21 0.00 0.00 52.86 54.27 1y3j s ASN 73 Cb 0.13 0.51 0.12 0.00 -0.55 0.00 0.00 41.25 41.45 1y3j s ASN 73 CO -0.06 -0.57 1.02 2.30 -2.79 0.00 0.00 177.10 176.99 1y3j n ILE 74 N 0.88 0.00 -1.97 -5.21 -5.35 -1.26 -5.12 119.36 101.32 1y3j n ILE 74 Ca -0.18 -0.27 -0.30 0.00 -0.27 0.00 0.00 62.75 61.73 1y3j n ILE 74 Cb 0.57 0.61 0.02 0.00 -1.74 0.00 0.00 39.64 39.10 1y3j n ILE 74 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1y3j s GLU 75 N 0.00 3.34 0.00 6.28 2.02 -1.26 -5.03 118.70 124.05 1y3j s GLU 75 Ca 0.09 0.57 0.00 0.00 0.02 0.00 0.00 54.97 55.66 1y3j s GLU 75 Cb 0.11 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.24 1y3j s GLU 75 CO -0.05 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 174.97 1y3j n GLY 76 N -2.77 -1.80 0.00 -1.39 0.00 -1.26 -5.28 105.19 92.69 1y3j n GLY 76 Ca 0.06 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1y3j n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19