#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3k s SER 2 N 0.00 5.10 0.28 0.53 1.04 -1.26 -4.82 113.70 114.57 1y3k s SER 2 Ca 0.00 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1y3k s SER 2 Cb 0.00 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1y3k s SER 2 CO 0.00 -1.28 0.26 -0.55 0.98 0.00 0.00 173.24 172.65 1y3k s SER 3 N -4.57 0.90 -0.01 7.02 0.15 0.47 -4.61 113.70 113.05 1y3k s SER 3 Ca 0.61 -1.54 -0.21 0.00 0.70 0.00 0.00 55.95 55.51 1y3k s SER 3 Cb -0.07 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 1y3k s SER 3 CO 0.39 -1.02 0.60 -0.54 1.20 0.00 0.00 173.24 173.87 1y3k s LYS 4 N -3.69 4.33 -0.16 5.44 1.02 -1.26 -0.33 119.74 125.08 1y3k s LYS 4 Ca 0.38 0.75 0.01 0.00 0.02 0.00 0.00 55.97 57.13 1y3k s LYS 4 Cb 0.04 -3.35 0.02 0.00 -0.52 0.00 0.00 37.83 34.02 1y3k s LYS 4 CO 0.20 0.35 -0.18 0.00 -0.92 0.00 0.00 175.35 174.80 1y3k s TYR 6 N 1.28 3.24 -0.11 0.00 6.14 -0.23 -1.67 117.35 126.00 1y3k s TYR 6 Ca 0.03 -0.74 -0.02 0.00 0.64 0.00 0.00 57.07 56.98 1y3k s TYR 6 Cb -0.13 -2.51 -0.03 0.00 0.42 0.00 0.00 41.96 39.71 1y3k s TYR 6 CO -0.10 -0.60 -0.02 0.42 0.64 0.00 0.00 175.55 175.89 1y3k s ILE 7 N 1.62 4.11 0.10 3.14 -1.09 0.06 -0.24 121.20 128.90 1y3k s ILE 7 Ca 0.04 -0.31 0.06 0.00 -2.23 0.00 0.00 60.65 58.21 1y3k s ILE 7 Cb -0.19 -2.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.91 1y3k s ILE 7 CO 0.08 0.57 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.62 1y3k s GLN 8 N -0.46 1.00 0.03 2.79 0.74 -0.25 -1.63 119.66 121.88 1y3k s GLN 8 Ca 0.08 -1.14 -0.24 0.00 0.05 0.00 0.00 55.36 54.11 1y3k s GLN 8 Cb -0.12 -1.02 0.06 0.00 1.10 0.00 0.00 33.01 33.03 1y3k s GLN 8 CO 0.02 0.22 0.56 0.54 -0.55 0.00 0.00 175.29 176.08 1y3k s VAL 9 N -1.62 0.02 -0.83 1.34 0.11 -1.26 -0.57 120.40 117.59 1y3k s VAL 9 Ca 0.05 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 58.84 1y3k s VAL 9 Cb -0.08 -0.96 0.21 0.00 -1.53 0.00 0.00 36.38 34.02 1y3k s VAL 9 CO 0.03 -0.09 0.74 0.42 -3.33 0.00 0.00 175.10 172.87 1y3k s THR 10 N -2.16 5.04 0.00 5.04 -4.23 -1.26 -4.48 115.64 113.59 1y3k s THR 10 Ca -0.07 -2.91 0.00 0.00 -1.18 0.00 0.00 61.69 57.53 1y3k s THR 10 Cb -0.01 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.70 1y3k s THR 10 CO 0.01 -1.02 0.00 0.61 -0.54 0.00 0.00 174.62 173.68 1y3k n GLY 11 N 3.45 0.66 3.55 3.99 0.00 -1.26 -4.94 105.19 110.64 1y3k n GLY 11 Ca 0.15 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1y3k n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1y3k n MET 12 N -0.01 1.06 0.00 1.61 2.81 -1.26 -4.80 117.12 116.53 1y3k n MET 12 Ca 0.00 0.38 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1y3k n MET 12 Cb 0.00 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 30.70 1y3k n MET 12 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1y3k n THR 13 N -0.46 0.00 -3.82 2.03 -2.24 -1.26 -4.69 114.28 103.83 1y3k n THR 13 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1y3k n THR 13 Cb 0.37 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 1y3k n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y3k n ALA 15 N -2.10 -0.28 -2.81 0.00 0.00 -1.26 -3.78 120.51 110.28 1y3k n ALA 15 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 1y3k n ALA 15 Cb 0.25 0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 1y3k n ALA 15 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1y3k s SER 16 N -2.41 6.53 0.00 0.00 0.01 -1.26 -3.81 113.70 112.76 1y3k s SER 16 Ca 0.00 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 55.52 1y3k s SER 16 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1y3k s SER 16 CO 0.00 -1.24 0.00 0.00 0.41 0.00 0.00 173.24 172.41 1y3k h VAL 18 N 0.00 0.40 -0.99 0.00 3.04 -1.68 0.51 116.25 117.53 1y3k h VAL 18 Ca 0.00 -0.01 0.38 0.00 -1.01 0.00 0.00 66.70 66.06 1y3k h VAL 18 Cb 0.00 0.37 -0.18 0.00 -2.01 0.00 0.00 31.29 29.47 1y3k h VAL 18 CO 0.00 0.00 0.39 0.00 -1.01 0.00 0.00 177.57 176.96 1y3k n ALA 19 N -2.99 0.88 0.32 3.17 0.00 -1.26 0.07 120.51 120.70 1y3k n ALA 19 Ca 0.08 1.02 -0.15 0.00 0.00 0.00 0.00 53.44 54.39 1y3k n ALA 19 Cb 0.34 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1y3k n ALA 19 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1y3k h ASN 20 N 0.00 -0.71 -0.85 0.00 -1.24 -1.30 -2.54 115.58 108.94 1y3k h ASN 20 Ca 0.77 -0.02 0.09 0.00 0.71 0.00 0.00 56.30 57.85 1y3k h ASN 20 Cb 1.95 0.18 -0.07 0.00 0.73 0.00 0.00 38.32 41.11 1y3k h ASN 20 CO -0.81 -0.37 0.50 0.40 -1.29 0.00 0.00 177.43 175.86 1y3k h ILE 21 N -1.08 0.93 0.00 2.57 5.03 -0.90 -0.32 117.51 123.74 1y3k h ILE 21 Ca -0.09 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 64.37 1y3k h ILE 21 Cb 0.69 0.02 -0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1y3k h ILE 21 CO 0.14 0.15 -0.01 -0.33 -0.68 0.00 0.00 178.15 177.43 1y3k h GLU 22 N 0.84 -0.01 -0.69 2.37 5.08 -0.33 0.47 114.58 122.31 1y3k h GLU 22 Ca 0.40 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.91 1y3k h GLU 22 Cb 0.35 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.49 1y3k h GLU 22 CO -0.24 -0.01 0.08 0.00 -1.00 0.00 0.00 179.01 177.85 1y3k h ARG 23 N -0.01 0.18 -0.17 2.33 3.08 -1.19 0.34 114.38 118.93 1y3k h ARG 23 Ca 0.00 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1y3k h ARG 23 Cb 0.01 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 1y3k h ARG 23 CO -0.00 0.12 -0.26 -0.91 -1.07 0.00 0.00 179.97 177.84 1y3k h ASN 24 N 0.18 -0.82 -0.35 7.04 2.35 -0.67 0.19 115.58 123.51 1y3k h ASN 24 Ca 0.38 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 56.23 1y3k h ASN 24 Cb 0.63 0.37 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 1y3k h ASN 24 CO -0.54 -0.30 0.09 -0.07 -1.65 0.00 0.00 177.43 174.96 1y3k h LEU 25 N -0.30 0.53 -1.54 1.61 4.07 -0.07 -1.81 115.31 117.79 1y3k h LEU 25 Ca 0.11 -0.22 0.30 0.00 0.08 0.00 0.00 57.88 58.15 1y3k h LEU 25 Cb 0.48 -0.14 -0.08 0.00 1.08 0.00 0.00 40.66 42.00 1y3k h LEU 25 CO -0.35 0.61 0.73 -0.09 -1.08 0.00 0.00 178.44 178.27 1y3k h ARG 26 N 0.42 0.25 0.00 1.13 1.12 0.53 0.19 114.38 118.03 1y3k h ARG 26 Ca 0.11 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1y3k h ARG 26 Cb 0.29 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 1y3k h ARG 26 CO -0.00 0.17 -0.84 0.54 -3.11 0.00 0.00 179.97 176.73 1y3k n ARG 27 N -4.51 0.16 -1.69 0.20 5.12 -0.03 -4.89 116.66 111.02 1y3k n ARG 27 Ca 0.26 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.76 1y3k n ARG 27 Cb 1.02 -1.56 -0.03 0.00 -1.16 0.00 0.00 32.46 30.73 1y3k n ARG 27 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1y3k n GLU 28 N -1.76 2.71 -1.86 5.56 1.02 0.68 -4.83 120.64 122.16 1y3k n GLU 28 Ca 0.03 0.98 -0.29 0.00 -0.02 0.00 0.00 57.16 57.87 1y3k n GLU 28 Cb 0.39 -2.86 -0.07 0.00 -0.02 0.00 0.00 31.44 28.89 1y3k n GLU 28 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1y3k n GLU 29 N 5.21 1.40 0.00 3.49 2.13 -1.26 -1.16 120.64 130.45 1y3k n GLU 29 Ca 0.18 -2.28 0.00 0.00 0.66 0.00 0.00 57.16 55.72 1y3k n GLU 29 Cb 0.36 -3.62 0.00 0.00 0.27 0.00 0.00 31.44 28.45 1y3k n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y3k n GLY 30 N 5.63 0.53 3.78 8.31 0.00 -1.26 -4.43 105.19 117.75 1y3k n GLY 30 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 1y3k n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y3k s ILE 31 N 0.00 3.45 -0.14 -0.61 -1.09 -0.31 -3.41 121.20 119.11 1y3k s ILE 31 Ca 0.00 1.15 0.01 0.00 -2.23 0.00 0.00 60.65 59.58 1y3k s ILE 31 Cb 0.00 -3.61 -0.09 0.00 -1.58 0.00 0.00 42.46 37.18 1y3k s ILE 31 CO 0.00 0.04 -0.12 -1.22 -1.23 0.00 0.00 174.94 172.41 1y3k n TYR 32 N -0.06 0.00 -3.94 3.97 4.02 0.56 -4.89 117.16 116.82 1y3k n TYR 32 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.83 1y3k n TYR 32 Cb 0.48 -0.52 -0.13 0.00 -0.02 0.00 0.00 39.34 39.15 1y3k n TYR 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1y3k s SER 33 N -5.30 0.16 0.56 7.72 0.15 -1.14 -4.94 113.70 110.91 1y3k s SER 33 Ca -0.18 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.23 1y3k s SER 33 Cb 0.05 0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1y3k s SER 33 CO 0.32 -0.12 0.81 0.27 1.20 0.00 0.00 173.24 175.71 1y3k s ILE 34 N -0.64 3.02 -0.07 6.45 -0.00 -1.26 -0.69 121.20 128.01 1y3k s ILE 34 Ca -0.07 -0.47 -0.30 0.00 -0.00 0.00 0.00 60.65 59.81 1y3k s ILE 34 Cb -0.04 -3.17 -0.02 0.00 -0.00 0.00 0.00 42.46 39.23 1y3k s ILE 34 CO -0.00 -0.13 1.01 -1.48 -0.00 0.00 0.00 174.94 174.33 1y3k s LEU 35 N -4.83 4.29 -0.48 0.37 0.05 -1.24 -4.33 118.68 112.51 1y3k s LEU 35 Ca 0.55 1.59 0.06 0.00 0.05 0.00 0.00 54.13 56.39 1y3k s LEU 35 Cb -0.10 -3.56 0.18 0.00 -2.05 0.00 0.00 46.19 40.66 1y3k s LEU 35 CO 0.40 -0.39 0.64 0.54 -0.55 0.00 0.00 176.35 176.99 1y3k s VAL 36 N 1.67 -0.74 -0.31 1.48 0.11 -1.26 -4.77 120.40 116.58 1y3k s VAL 36 Ca 0.50 -1.17 0.18 0.00 -2.93 0.00 0.00 61.98 58.57 1y3k s VAL 36 Cb -0.19 -0.24 0.47 0.00 -1.53 0.00 0.00 36.38 34.88 1y3k s VAL 36 CO 0.22 -0.24 1.04 0.00 -3.33 0.00 0.00 175.10 172.79 1y3k n ALA 37 N 3.15 3.02 -0.18 1.54 0.00 -0.60 -4.71 120.51 122.74 1y3k n ALA 37 Ca 0.19 -2.83 0.11 0.00 0.00 0.00 0.00 53.44 50.91 1y3k n ALA 37 Cb 0.54 -0.93 0.42 0.00 0.00 0.00 0.00 19.45 19.49 1y3k n ALA 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y3k h LEU 38 N 2.76 0.54 -0.42 0.00 6.46 -1.93 0.29 115.31 123.02 1y3k h LEU 38 Ca -0.13 0.02 0.12 0.00 -0.12 0.00 0.00 57.88 57.76 1y3k h LEU 38 Cb 1.22 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 40.97 1y3k h LEU 38 CO 0.35 0.32 0.02 0.80 -0.62 0.00 0.00 178.44 179.31 1y3k n MET 39 N -4.50 -0.03 -0.00 1.25 1.56 -1.26 -2.66 117.12 111.48 1y3k n MET 39 Ca 0.13 0.62 -0.00 0.00 -0.27 0.00 0.00 57.70 58.18 1y3k n MET 39 Cb 0.37 -1.00 -0.00 0.00 2.15 0.00 0.00 33.22 34.74 1y3k n MET 39 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1y3k n ALA 40 N -3.40 1.99 0.00 -5.12 0.00 -0.96 -5.07 120.51 107.95 1y3k n ALA 40 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1y3k n ALA 40 Cb 0.34 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1y3k n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y3k n GLY 41 N 3.40 0.71 3.40 0.00 0.00 0.83 -5.01 105.19 108.52 1y3k n GLY 41 Ca -0.01 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1y3k n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y3k s LYS 42 N 0.00 1.82 -0.16 1.61 3.01 -0.10 -4.41 119.74 121.50 1y3k s LYS 42 Ca 0.00 -2.08 -0.04 0.00 -1.01 0.00 0.00 55.97 52.84 1y3k s LYS 42 Cb 0.00 -0.15 0.08 0.00 -1.01 0.00 0.00 37.83 36.74 1y3k s LYS 42 CO 0.00 -0.55 0.21 0.00 0.51 0.00 0.00 175.35 175.52 1y3k s ALA 43 N -3.36 -0.27 -0.42 5.17 0.00 -0.64 -1.56 121.76 120.67 1y3k s ALA 43 Ca 0.32 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.69 1y3k s ALA 43 Cb 0.03 -1.13 0.11 0.00 0.00 0.00 0.00 23.12 22.13 1y3k s ALA 43 CO 0.20 -0.95 0.22 -2.00 0.00 0.00 0.00 175.76 173.23 1y3k s GLU 44 N 2.33 2.02 0.37 0.00 2.56 -1.26 -0.76 118.70 123.96 1y3k s GLU 44 Ca 0.05 -1.86 0.08 0.00 0.00 0.00 0.00 54.97 53.24 1y3k s GLU 44 Cb -0.14 -3.59 -0.05 0.00 2.00 0.00 0.00 34.13 32.35 1y3k s GLU 44 CO -0.10 -1.08 0.10 0.14 -0.56 0.00 0.00 175.26 173.76 1y3k s VAL 45 N 1.08 2.55 -0.08 3.70 -7.23 -0.67 -3.61 120.40 116.14 1y3k s VAL 45 Ca 0.09 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1y3k s VAL 45 Cb -0.23 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 33.82 1y3k s VAL 45 CO -0.04 -0.11 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.96 1y3k s ARG 46 N -3.81 1.34 0.00 4.82 3.52 0.13 -0.64 118.95 124.31 1y3k s ARG 46 Ca 0.38 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 1y3k s ARG 46 Cb 0.01 -1.32 0.00 0.00 -1.56 0.00 0.00 34.95 32.08 1y3k s ARG 46 CO 0.21 -0.15 0.00 2.48 -0.81 0.00 0.00 175.30 177.03 1y3k n TYR 47 N 4.48 0.00 -3.62 5.12 4.11 0.54 -0.32 117.16 127.48 1y3k n TYR 47 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.60 1y3k n TYR 47 Cb 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.72 1y3k n TYR 47 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1y3k s ASN 48 N 0.75 0.41 -1.52 9.48 2.20 -1.22 -0.40 114.94 124.64 1y3k s ASN 48 Ca 0.00 0.50 -0.12 0.00 -0.94 0.00 0.00 52.86 52.30 1y3k s ASN 48 Cb 0.00 0.76 -0.01 0.00 -2.00 0.00 0.00 41.25 40.01 1y3k s ASN 48 CO 0.00 -0.25 2.50 -0.81 -2.94 0.00 0.00 177.10 175.59 1y3k n PRO 49 N 5.35 3.18 0.00 3.55 -0.04 -1.26 -3.78 135.00 141.99 1y3k n PRO 49 Ca -0.06 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1y3k n PRO 49 Cb 0.50 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 1y3k n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y3k n ALA 50 N 5.15 2.97 -0.09 0.55 0.00 -1.26 -4.91 120.51 122.92 1y3k n ALA 50 Ca 0.62 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.84 1y3k n ALA 50 Cb 0.33 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 1y3k n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y3k h VAL 51 N 0.00 0.90 -0.12 0.00 2.07 -1.93 -3.40 116.25 113.76 1y3k h VAL 51 Ca 0.00 -2.20 -0.09 0.00 0.82 0.00 0.00 66.70 65.24 1y3k h VAL 51 Cb 0.00 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1y3k h VAL 51 CO 0.00 0.36 -0.25 -0.29 0.02 0.00 0.00 177.57 177.41 1y3k h ILE 52 N -0.91 1.38 -0.24 4.57 2.10 -1.77 -3.50 117.51 119.13 1y3k h ILE 52 Ca -0.35 -1.53 0.00 0.00 1.08 0.00 0.00 64.86 64.06 1y3k h ILE 52 Cb 1.37 2.06 0.00 0.00 -1.09 0.00 0.00 36.82 39.16 1y3k h ILE 52 CO -0.18 0.45 0.00 0.00 -1.08 0.00 0.00 178.15 177.34 1y3k n GLN 53 N -4.45 0.00 -0.10 2.19 6.02 -1.25 -4.51 117.38 115.28 1y3k n GLN 53 Ca -0.07 0.12 -0.06 0.00 -0.01 0.00 0.00 57.00 56.99 1y3k n GLN 53 Cb 0.45 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.71 1y3k n GLN 53 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1y3k h PRO 54 N 0.00 -0.04 0.00 -1.09 0.13 -1.93 -0.83 132.00 128.24 1y3k h PRO 54 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1y3k h PRO 54 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1y3k h PRO 54 CO 0.00 -0.03 0.00 -0.35 -0.23 0.00 0.00 178.00 177.39 1y3k n PRO 55 N -5.31 0.33 -0.10 1.56 -0.04 -1.26 -2.60 135.00 127.58 1y3k n PRO 55 Ca 0.01 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.32 1y3k n PRO 55 Cb 0.22 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1y3k n PRO 55 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1y3k n MET 56 N -1.16 0.62 -0.35 0.54 2.81 -0.39 -4.02 117.12 115.17 1y3k n MET 56 Ca 0.09 0.35 -0.02 0.00 -1.81 0.00 0.00 57.70 56.30 1y3k n MET 56 Cb 0.09 -1.62 0.03 0.00 -0.71 0.00 0.00 33.22 31.01 1y3k n MET 56 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1y3k h ILE 57 N -0.65 0.03 0.01 2.02 2.04 -1.10 0.80 117.51 120.65 1y3k h ILE 57 Ca -0.52 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1y3k h ILE 57 Cb 1.63 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1y3k h ILE 57 CO -0.22 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 177.90 1y3k h ALA 58 N 1.26 -0.57 -0.97 1.87 0.00 -1.72 -2.17 119.26 116.96 1y3k h ALA 58 Ca 0.32 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1y3k h ALA 58 Cb 0.58 0.48 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 1y3k h ALA 58 CO -0.93 -0.58 -0.50 0.39 0.00 0.00 0.00 179.25 177.64 1y3k n GLU 59 N -2.62 -0.35 -0.32 0.00 4.71 -0.94 -0.09 120.64 121.03 1y3k n GLU 59 Ca -0.00 1.48 0.21 0.00 -0.01 0.00 0.00 57.16 58.83 1y3k n GLU 59 Cb 0.02 -2.18 0.41 0.00 -1.01 0.00 0.00 31.44 28.69 1y3k n GLU 59 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1y3k h PHE 60 N 0.00 0.55 -0.03 -0.32 3.57 -0.74 0.36 116.94 120.33 1y3k h PHE 60 Ca 0.23 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 1y3k h PHE 60 Cb 0.47 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1y3k h PHE 60 CO -0.94 -0.31 -0.16 0.82 -2.23 0.00 0.00 178.31 175.49 1y3k h ILE 61 N 0.15 1.48 0.00 1.41 2.04 0.17 -3.28 117.51 119.48 1y3k h ILE 61 Ca 0.68 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1y3k h ILE 61 Cb 1.56 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 40.11 1y3k h ILE 61 CO -0.72 0.45 0.00 0.54 0.00 0.00 0.00 178.15 178.42 1y3k n ARG 62 N -4.60 0.01 -0.63 2.37 1.74 0.76 -2.23 116.66 114.08 1y3k n ARG 62 Ca -0.09 0.35 0.49 0.00 -0.77 0.00 0.00 57.85 57.83 1y3k n ARG 62 Cb 0.41 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 31.12 1y3k n ARG 62 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1y3k n GLU 63 N -1.48 -0.01 0.10 5.56 -0.58 0.92 0.06 120.64 125.21 1y3k n GLU 63 Ca 0.02 1.13 -0.00 0.00 -0.42 0.00 0.00 57.16 57.89 1y3k n GLU 63 Cb 0.09 -2.47 -0.02 0.00 -0.57 0.00 0.00 31.44 28.47 1y3k n GLU 63 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1y3k h LEU 64 N 0.00 0.00 -1.19 -4.62 3.38 -1.72 -3.48 115.31 107.67 1y3k h LEU 64 Ca 0.91 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.88 1y3k h LEU 64 Cb 3.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 44.20 1y3k h LEU 64 CO -0.16 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1y3k n GLY 65 N 1.28 0.62 3.59 0.83 0.00 0.11 -5.11 105.19 106.52 1y3k n GLY 65 Ca -0.01 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 1y3k n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y3k s PHE 66 N -2.52 2.56 -1.44 1.61 0.40 -1.26 -5.04 117.98 112.29 1y3k s PHE 66 Ca 0.00 -0.26 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 1y3k s PHE 66 Cb 0.00 -1.13 0.05 0.00 0.51 0.00 0.00 43.02 42.46 1y3k s PHE 66 CO 0.00 0.65 2.27 0.41 0.70 0.00 0.00 175.22 179.25 1y3k n GLY 67 N -0.80 4.52 3.82 4.36 0.00 -1.26 -4.78 105.19 111.05 1y3k n GLY 67 Ca -0.06 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1y3k n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3k s ALA 68 N 2.19 3.07 -0.21 4.61 0.00 -1.26 -4.18 121.76 125.98 1y3k s ALA 68 Ca 0.49 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 1y3k s ALA 68 Cb 0.14 -3.10 0.08 0.00 0.00 0.00 0.00 23.12 20.24 1y3k s ALA 68 CO -0.06 0.13 0.15 0.95 0.00 0.00 0.00 175.76 176.93 1y3k s THR 69 N -2.19 -0.18 -0.34 0.00 -4.23 0.26 -4.98 115.64 103.97 1y3k s THR 69 Ca 0.61 -0.27 -0.20 0.00 -1.18 0.00 0.00 61.69 60.65 1y3k s THR 69 Cb -0.09 -0.70 -0.00 0.00 1.34 0.00 0.00 72.50 73.05 1y3k s THR 69 CO 0.15 -0.34 0.64 0.54 -0.54 0.00 0.00 174.62 175.07 1y3k s VAL 70 N 2.21 4.90 -0.29 2.29 0.11 -1.26 -1.09 120.40 127.27 1y3k s VAL 70 Ca 0.05 0.68 -0.07 0.00 -2.93 0.00 0.00 61.98 59.72 1y3k s VAL 70 Cb -0.16 -4.06 0.00 0.00 -1.53 0.00 0.00 36.38 30.64 1y3k s VAL 70 CO -0.16 -0.27 0.07 -0.63 -3.33 0.00 0.00 175.10 170.79 1y3k s ILE 71 N 2.69 3.98 0.70 7.04 1.01 0.67 -5.00 121.20 132.28 1y3k s ILE 71 Ca 0.25 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1y3k s ILE 71 Cb -0.15 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.32 1y3k s ILE 71 CO 0.14 0.12 1.08 -0.70 0.00 0.00 0.00 174.94 175.58 1y3k s GLU 72 N 1.51 2.72 0.14 2.79 2.12 -1.26 -1.06 118.70 125.65 1y3k s GLU 72 Ca 0.03 1.15 0.04 0.00 0.36 0.00 0.00 54.97 56.56 1y3k s GLU 72 Cb -0.17 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.22 1y3k s GLU 72 CO 0.02 -1.29 -0.10 -0.80 -0.54 0.00 0.00 175.26 172.56 1y3k s ASN 73 N -3.26 1.69 0.48 -1.70 -0.87 -1.26 -4.88 114.94 105.13 1y3k s ASN 73 Ca 0.62 -0.99 -0.22 0.00 -1.57 0.00 0.00 52.86 50.70 1y3k s ASN 73 Cb -0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 41.25 40.97 1y3k s ASN 73 CO 0.50 -0.34 0.85 2.30 -2.57 0.00 0.00 177.10 177.84 1y3k n ILE 74 N -0.08 2.53 -1.74 0.60 -5.35 -1.26 -4.91 119.36 109.16 1y3k n ILE 74 Ca -0.11 -0.50 -0.39 0.00 -0.27 0.00 0.00 62.75 61.47 1y3k n ILE 74 Cb 0.60 -0.97 0.03 0.00 -1.74 0.00 0.00 39.64 37.56 1y3k n ILE 74 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1y3k n GLU 75 N -0.02 1.87 0.00 6.28 4.71 -1.26 -3.66 120.64 128.55 1y3k n GLU 75 Ca 0.11 0.68 0.00 0.00 -0.01 0.00 0.00 57.16 57.93 1y3k n GLU 75 Cb 0.42 -2.54 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 1y3k n GLU 75 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1y3k n GLY 76 N 0.74 2.78 0.00 0.62 0.00 -1.26 -5.12 105.19 102.94 1y3k n GLY 76 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1y3k n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19