#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3k n SER 2 N 0.00 0.00 -3.95 1.20 3.41 -1.26 -4.88 113.62 108.14 1y3k n SER 2 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 1y3k n SER 2 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1y3k n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1y3k s SER 3 N 0.00 1.55 0.06 4.04 0.01 -0.28 -4.90 113.70 114.19 1y3k s SER 3 Ca 0.00 -1.57 0.04 0.00 1.31 0.00 0.00 55.95 55.73 1y3k s SER 3 Cb 0.00 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 1y3k s SER 3 CO 0.00 -0.90 -0.02 -1.59 0.41 0.00 0.00 173.24 171.14 1y3k s LYS 4 N -3.80 2.56 -0.25 12.44 0.00 -1.26 -0.86 119.74 128.57 1y3k s LYS 4 Ca 0.36 -0.80 0.03 0.00 0.00 0.00 0.00 55.97 55.56 1y3k s LYS 4 Cb 0.05 -2.54 0.06 0.00 0.00 0.00 0.00 37.83 35.40 1y3k s LYS 4 CO 0.18 0.56 -0.10 0.00 0.00 0.00 0.00 175.35 175.99 1y3k s TYR 6 N 1.15 3.22 -0.25 0.00 2.02 -0.48 -2.10 117.35 120.90 1y3k s TYR 6 Ca -0.08 0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.92 1y3k s TYR 6 Cb -0.20 -2.82 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 1y3k s TYR 6 CO -0.05 -0.41 0.14 0.42 -1.57 0.00 0.00 175.55 174.08 1y3k s ILE 7 N 2.35 5.03 0.10 2.71 -1.09 0.31 -0.35 121.20 130.26 1y3k s ILE 7 Ca 0.20 0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.64 1y3k s ILE 7 Cb -0.15 -3.36 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1y3k s ILE 7 CO 0.11 0.32 0.32 -1.10 -1.23 0.00 0.00 174.94 173.37 1y3k s GLN 8 N 1.37 3.58 0.27 2.79 -0.21 0.17 -1.79 119.66 125.84 1y3k s GLN 8 Ca 0.06 -0.16 -0.20 0.00 0.02 0.00 0.00 55.36 55.08 1y3k s GLN 8 Cb -0.15 -2.93 0.02 0.00 1.00 0.00 0.00 33.01 30.95 1y3k s GLN 8 CO 0.06 0.53 0.70 0.54 -2.12 0.00 0.00 175.29 175.00 1y3k s VAL 9 N -1.56 0.00 -0.32 1.09 0.11 -1.26 -0.82 120.40 117.64 1y3k s VAL 9 Ca 0.37 -1.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.39 1y3k s VAL 9 Cb -0.13 -1.99 0.11 0.00 -1.53 0.00 0.00 36.38 32.85 1y3k s VAL 9 CO 0.24 -0.00 0.15 0.42 -3.33 0.00 0.00 175.10 172.58 1y3k s THR 10 N -3.92 0.16 0.00 5.04 -4.23 -1.26 -4.70 115.64 106.72 1y3k s THR 10 Ca 0.12 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1y3k s THR 10 Cb -0.05 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1y3k s THR 10 CO 0.07 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 1y3k n GLY 11 N 4.77 -0.30 0.35 3.99 0.00 -1.26 -4.94 105.19 107.81 1y3k n GLY 11 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 1y3k n GLY 11 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1y3k h MET 12 N 0.00 -0.11 0.00 1.61 2.86 -1.91 -3.45 114.93 113.93 1y3k h MET 12 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1y3k h MET 12 Cb 0.21 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1y3k h MET 12 CO 0.00 -0.07 0.00 2.41 1.06 0.00 0.00 176.91 180.31 1y3k n THR 13 N -5.45 0.00 -2.22 2.22 -1.04 -1.26 -4.95 114.28 101.58 1y3k n THR 13 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1y3k n THR 13 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 1y3k n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y3k n ALA 15 N -3.00 -0.04 -2.33 0.00 0.00 -1.26 -4.23 120.51 109.66 1y3k n ALA 15 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1y3k n ALA 15 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1y3k n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1y3k n SER 16 N -0.67 4.43 0.00 0.00 3.41 -1.26 -3.97 113.62 115.56 1y3k n SER 16 Ca 0.00 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1y3k n SER 16 Cb 0.00 -1.71 0.00 0.00 -0.26 0.00 0.00 64.21 62.24 1y3k n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y3k h VAL 18 N 0.00 0.97 -0.78 0.00 -1.51 -1.85 -2.29 116.25 110.79 1y3k h VAL 18 Ca 0.00 -0.14 0.29 0.00 -1.23 0.00 0.00 66.70 65.62 1y3k h VAL 18 Cb 0.44 0.54 -0.14 0.00 -2.13 0.00 0.00 31.29 30.00 1y3k h VAL 18 CO 0.00 0.07 0.28 0.00 -1.23 0.00 0.00 177.57 176.69 1y3k n ALA 19 N -2.29 0.66 0.36 5.19 0.00 -1.26 0.11 120.51 123.28 1y3k n ALA 19 Ca 0.02 0.81 -0.17 0.00 0.00 0.00 0.00 53.44 54.09 1y3k n ALA 19 Cb 0.10 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.77 -0.14 0.00 -1.24 -1.78 -1.58 115.58 110.07 1y3k h ASN 20 Ca 0.60 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.66 1y3k h ASN 20 Cb 1.48 0.20 -0.06 0.00 0.73 0.00 0.00 38.32 40.67 1y3k h ASN 20 CO -0.65 -0.50 -0.27 0.40 -1.29 0.00 0.00 177.43 175.12 1y3k h ILE 21 N -0.99 0.37 -0.14 2.57 5.03 0.64 0.88 117.51 125.87 1y3k h ILE 21 Ca -0.09 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.66 1y3k h ILE 21 Cb 0.72 0.37 -0.02 0.00 -3.03 0.00 0.00 36.82 34.86 1y3k h ILE 21 CO 0.15 0.00 -0.09 -0.33 -0.68 0.00 0.00 178.15 177.20 1y3k h GLU 22 N -0.33 -0.01 -0.88 2.37 3.07 -0.68 0.72 114.58 118.83 1y3k h GLU 22 Ca 0.10 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.17 1y3k h GLU 22 Cb 0.49 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.34 1y3k h GLU 22 CO -0.33 -0.00 0.59 -0.09 -1.40 0.00 0.00 179.01 177.78 1y3k h ARG 23 N -0.01 0.33 -0.21 2.33 2.43 -0.86 0.37 114.38 118.77 1y3k h ARG 23 Ca 0.02 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1y3k h ARG 23 Cb 0.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1y3k h ARG 23 CO -0.14 0.22 -0.54 -0.97 -1.51 0.00 0.00 179.97 177.03 1y3k h ASN 24 N 0.34 0.68 0.05 -3.80 -1.24 0.12 -3.11 115.58 108.63 1y3k h ASN 24 Ca 0.46 -0.36 -0.28 0.00 0.71 0.00 0.00 56.30 56.82 1y3k h ASN 24 Cb 1.22 -0.20 0.02 0.00 0.73 0.00 0.00 38.32 40.10 1y3k h ASN 24 CO -0.15 1.09 -1.12 -0.07 -1.29 0.00 0.00 177.43 175.89 1y3k h LEU 25 N 0.48 0.90 -1.98 0.34 4.07 0.72 -3.31 115.31 116.53 1y3k h LEU 25 Ca 0.01 -0.76 0.12 0.00 0.08 0.00 0.00 57.88 57.34 1y3k h LEU 25 Cb 1.09 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 1y3k h LEU 25 CO 0.11 1.56 0.44 -0.09 -1.08 0.00 0.00 178.44 179.38 1y3k h ARG 26 N 0.35 0.00 0.00 1.13 1.12 -0.26 0.93 114.38 117.65 1y3k h ARG 26 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 1y3k h ARG 26 Cb 1.78 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.74 1y3k h ARG 26 CO 0.22 0.00 -0.96 2.89 -3.11 0.00 0.00 179.97 179.01 1y3k n ARG 27 N -3.75 1.07 -1.90 0.20 1.85 -1.23 -4.95 116.66 107.95 1y3k n ARG 27 Ca 0.08 -0.02 -0.42 0.00 -1.00 0.00 0.00 57.85 56.48 1y3k n ARG 27 Cb 0.62 -1.35 -0.03 0.00 -1.05 0.00 0.00 32.46 30.66 1y3k n ARG 27 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1y3k s GLU 28 N -2.75 4.20 -1.05 2.89 2.02 0.32 -4.85 118.70 119.48 1y3k s GLU 28 Ca 0.05 2.39 -0.25 0.00 0.02 0.00 0.00 54.97 57.18 1y3k s GLU 28 Cb 0.13 -3.33 -0.12 0.00 0.10 0.00 0.00 34.13 30.90 1y3k s GLU 28 CO 0.73 -0.68 2.05 -1.21 0.02 0.00 0.00 175.26 176.17 1y3k s GLU 29 N 1.78 2.03 0.00 1.61 2.02 -1.26 -0.85 118.70 124.02 1y3k s GLU 29 Ca 0.72 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1y3k s GLU 29 Cb -0.43 -5.08 0.00 0.00 0.10 0.00 0.00 34.13 28.73 1y3k s GLU 29 CO 0.32 -4.34 0.00 0.41 0.02 0.00 0.00 175.26 171.67 1y3k n GLY 30 N 6.25 0.74 3.76 -1.39 0.00 -1.26 -4.45 105.19 108.83 1y3k n GLY 30 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 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 3.23 -0.15 -0.61 -1.09 -0.03 -3.24 121.20 119.31 1y3k s ILE 31 Ca 0.00 1.19 0.08 0.00 -2.23 0.00 0.00 60.65 59.69 1y3k s ILE 31 Cb 0.00 -3.75 -0.15 0.00 -1.58 0.00 0.00 42.46 36.98 1y3k s ILE 31 CO 0.00 0.26 -0.03 -1.22 -1.23 0.00 0.00 174.94 172.73 1y3k n TYR 32 N 1.37 0.00 -3.64 3.97 4.02 0.15 -4.89 117.16 118.14 1y3k n TYR 32 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.74 1y3k n TYR 32 Cb 0.44 -0.67 -0.07 0.00 -0.02 0.00 0.00 39.34 39.01 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 -5.03 -0.43 0.75 7.72 0.15 -1.16 -4.98 113.70 110.72 1y3k s SER 33 Ca -0.13 0.43 -0.09 0.00 0.70 0.00 0.00 55.95 56.86 1y3k s SER 33 Cb 0.05 0.46 0.07 0.00 -1.71 0.00 0.00 66.02 64.88 1y3k s SER 33 CO 0.50 -0.51 1.10 0.27 1.20 0.00 0.00 173.24 175.79 1y3k s ILE 34 N -1.19 2.19 -0.00 6.45 -5.25 -1.26 -0.40 121.20 121.74 1y3k s ILE 34 Ca -0.12 -0.12 -0.22 0.00 -0.99 0.00 0.00 60.65 59.20 1y3k s ILE 34 Cb -0.03 -3.02 -0.05 0.00 2.95 0.00 0.00 42.46 42.31 1y3k s ILE 34 CO 0.07 -0.02 0.66 -1.48 -1.79 0.00 0.00 174.94 172.38 1y3k s LEU 35 N -5.41 4.41 -0.33 0.37 0.05 -1.26 -4.17 118.68 112.34 1y3k s LEU 35 Ca 0.61 1.24 0.06 0.00 0.05 0.00 0.00 54.13 56.09 1y3k s LEU 35 Cb -0.11 -3.04 0.19 0.00 -2.05 0.00 0.00 46.19 41.19 1y3k s LEU 35 CO 0.47 0.04 0.61 0.54 -0.55 0.00 0.00 176.35 177.46 1y3k s VAL 36 N 0.02 -0.98 -0.32 1.48 0.11 -1.26 -4.71 120.40 114.74 1y3k s VAL 36 Ca 0.34 0.00 0.17 0.00 -2.93 0.00 0.00 61.98 59.56 1y3k s VAL 36 Cb -0.19 -0.66 0.45 0.00 -1.53 0.00 0.00 36.38 34.46 1y3k s VAL 36 CO 0.19 0.00 1.14 0.00 -3.33 0.00 0.00 175.10 173.10 1y3k n ALA 37 N 5.08 2.72 0.04 1.54 0.00 -0.50 -4.75 120.51 124.66 1y3k n ALA 37 Ca 0.07 -2.44 0.18 0.00 0.00 0.00 0.00 53.44 51.26 1y3k n ALA 37 Cb 0.55 -0.92 0.69 0.00 0.00 0.00 0.00 19.45 19.77 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 2.49 0.00 -1.01 0.00 6.46 -1.92 0.18 115.31 121.50 1y3k h LEU 38 Ca -0.18 0.00 0.39 0.00 -0.12 0.00 0.00 57.88 57.97 1y3k h LEU 38 Cb 1.24 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 41.02 1y3k h LEU 38 CO 0.23 0.00 0.59 1.15 -0.62 0.00 0.00 178.44 179.79 1y3k n MET 39 N -4.37 -0.05 -0.01 1.25 0.00 -1.26 -2.78 117.12 109.90 1y3k n MET 39 Ca 0.08 1.19 -0.02 0.00 0.00 0.00 0.00 57.70 58.95 1y3k n MET 39 Cb 0.53 -2.21 -0.01 0.00 0.00 0.00 0.00 33.22 31.53 1y3k n MET 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1y3k n ALA 40 N -2.41 2.18 0.00 3.17 0.00 -0.81 -5.06 120.51 117.59 1y3k n ALA 40 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1y3k n ALA 40 Cb 1.24 0.44 0.00 0.00 0.00 0.00 0.00 19.45 21.13 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 3.22 0.61 3.60 0.00 0.00 0.42 -4.99 105.19 108.04 1y3k n GLY 41 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 2.01 -0.13 1.61 1.02 0.01 -4.14 119.74 120.12 1y3k s LYS 42 Ca 0.00 -2.25 -0.07 0.00 0.02 0.00 0.00 55.97 53.68 1y3k s LYS 42 Cb 0.00 -0.94 0.05 0.00 -0.52 0.00 0.00 37.83 36.43 1y3k s LYS 42 CO 0.00 -0.43 0.31 0.00 -0.92 0.00 0.00 175.35 174.31 1y3k s ALA 43 N -3.09 -0.75 -0.48 5.17 0.00 -0.74 -1.40 121.76 120.46 1y3k s ALA 43 Ca 0.18 1.20 0.07 0.00 0.00 0.00 0.00 51.96 53.41 1y3k s ALA 43 Cb 0.02 -0.79 0.24 0.00 0.00 0.00 0.00 23.12 22.59 1y3k s ALA 43 CO 0.11 -0.28 0.56 0.39 0.00 0.00 0.00 175.76 176.55 1y3k n GLU 44 N 4.37 1.24 -2.68 0.00 1.02 -1.26 -0.53 120.64 122.80 1y3k n GLU 44 Ca -0.23 -3.70 -0.31 0.00 -0.02 0.00 0.00 57.16 52.91 1y3k n GLU 44 Cb 0.53 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 1y3k n GLU 44 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y3k s VAL 45 N -1.44 4.72 -0.06 2.62 0.11 -0.89 -4.08 120.40 121.39 1y3k s VAL 45 Ca 0.36 0.76 0.06 0.00 -2.93 0.00 0.00 61.98 60.23 1y3k s VAL 45 Cb 0.14 -3.74 -0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1y3k s VAL 45 CO -0.09 -0.61 -0.24 -0.60 -3.33 0.00 0.00 175.10 170.22 1y3k s ARG 46 N -4.01 2.48 0.00 1.54 3.52 0.46 -0.71 118.95 122.23 1y3k s ARG 46 Ca 0.53 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 1y3k s ARG 46 Cb -0.10 -2.10 0.00 0.00 -1.56 0.00 0.00 34.95 31.18 1y3k s ARG 46 CO 0.33 0.37 0.00 2.48 -0.81 0.00 0.00 175.30 177.67 1y3k n TYR 47 N 2.96 -0.51 -3.51 5.12 4.11 -0.04 -0.67 117.16 124.62 1y3k n TYR 47 Ca -0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.49 1y3k n TYR 47 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.72 1y3k n TYR 47 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1y3k s ASN 48 N -0.95 2.49 -1.15 9.48 2.47 -1.20 -1.12 114.94 124.95 1y3k s ASN 48 Ca 0.00 -0.85 -0.17 0.00 0.42 0.00 0.00 52.86 52.26 1y3k s ASN 48 Cb 0.00 0.01 -0.05 0.00 -1.45 0.00 0.00 41.25 39.75 1y3k s ASN 48 CO 0.00 -0.39 2.12 -0.81 -3.72 0.00 0.00 177.10 174.30 1y3k n PRO 49 N 5.28 2.28 0.11 0.43 -0.04 -1.26 -3.60 135.00 138.20 1y3k n PRO 49 Ca -0.05 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1y3k n PRO 49 Cb 0.46 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 6.53 3.00 -0.09 0.55 0.00 -1.26 -4.92 120.51 124.32 1y3k n ALA 50 Ca 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1y3k n ALA 50 Cb 0.38 0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 1y3k n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y3k n VAL 51 N -3.37 1.46 -0.01 0.00 0.31 -1.24 -4.72 118.33 110.77 1y3k n VAL 51 Ca 0.00 0.04 -0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1y3k n VAL 51 Cb 0.02 -2.19 0.29 0.00 -0.91 0.00 0.00 33.84 31.05 1y3k n VAL 51 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 1y3k h ILE 52 N -0.92 1.20 -2.17 2.52 2.10 -1.78 -3.49 117.51 114.97 1y3k h ILE 52 Ca -0.15 -0.76 0.00 0.00 1.08 0.00 0.00 64.86 65.03 1y3k h ILE 52 Cb 1.07 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1y3k h ILE 52 CO -0.09 0.27 -0.32 0.00 -1.08 0.00 0.00 178.15 176.93 1y3k n GLN 53 N -4.29 -1.84 -0.32 2.19 1.13 -1.26 -4.32 117.38 108.68 1y3k n GLN 53 Ca 0.02 1.64 0.06 0.00 -1.94 0.00 0.00 57.00 56.77 1y3k n GLN 53 Cb 0.24 -1.45 0.21 0.00 0.11 0.00 0.00 30.24 29.35 1y3k n GLN 53 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1y3k h PRO 54 N 1.42 0.79 -0.13 -1.09 0.13 -1.94 -0.46 132.00 130.73 1y3k h PRO 54 Ca 0.00 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 1y3k h PRO 54 Cb 0.00 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 30.94 1y3k h PRO 54 CO 0.00 0.52 -0.17 -1.00 -0.23 0.00 0.00 178.00 177.12 1y3k h PRO 55 N 0.81 0.21 -0.06 1.56 0.13 -2.01 -3.12 132.00 129.52 1y3k h PRO 55 Ca 0.45 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.47 1y3k h PRO 55 Cb 0.49 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1y3k h PRO 55 CO -0.29 0.38 -0.20 1.98 -0.23 0.00 0.00 178.00 179.64 1y3k h MET 56 N 0.20 0.25 -0.45 0.86 1.85 -1.32 -1.75 114.93 114.57 1y3k h MET 56 Ca 0.04 -0.18 0.09 0.00 -0.61 0.00 0.00 59.70 59.03 1y3k h MET 56 Cb 0.42 0.03 -0.08 0.00 0.43 0.00 0.00 31.60 32.40 1y3k h MET 56 CO 0.03 0.81 -0.03 -0.84 -0.40 0.00 0.00 176.91 176.47 1y3k h ILE 57 N -0.26 0.63 -0.34 1.77 3.07 -1.49 0.92 117.51 121.81 1y3k h ILE 57 Ca -0.01 -0.03 0.04 0.00 1.55 0.00 0.00 64.86 66.42 1y3k h ILE 57 Cb 0.83 0.54 -0.08 0.00 -0.27 0.00 0.00 36.82 37.84 1y3k h ILE 57 CO 0.04 0.01 -0.55 0.00 -1.05 0.00 0.00 178.15 176.60 1y3k h ALA 58 N 1.41 -0.81 -0.53 0.16 0.00 -1.47 -1.40 119.26 116.63 1y3k h ALA 58 Ca 0.22 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1y3k h ALA 58 Cb 0.33 1.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1y3k h ALA 58 CO -0.40 -1.06 0.26 0.93 0.00 0.00 0.00 179.25 178.98 1y3k h GLU 59 N -0.45 0.48 -1.00 0.00 5.08 -0.47 0.15 114.58 118.37 1y3k h GLU 59 Ca 0.06 -0.03 0.32 0.00 -1.00 0.00 0.00 59.36 58.71 1y3k h GLU 59 Cb 0.62 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.61 1y3k h GLU 59 CO -0.56 0.32 0.57 0.35 -1.00 0.00 0.00 179.01 178.69 1y3k h PHE 60 N 0.49 0.94 -0.01 4.33 3.04 -0.40 0.20 116.94 125.53 1y3k h PHE 60 Ca 0.24 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.21 1y3k h PHE 60 Cb 0.17 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.43 1y3k h PHE 60 CO -0.11 -0.16 -0.06 0.82 -2.02 0.00 0.00 178.31 176.78 1y3k h ILE 61 N 0.35 1.51 0.00 1.41 2.04 0.22 -3.28 117.51 119.76 1y3k h ILE 61 Ca 0.73 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1y3k h ILE 61 Cb 1.64 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 40.26 1y3k h ILE 61 CO -0.60 0.42 0.00 0.54 0.00 0.00 0.00 178.15 178.52 1y3k n ARG 62 N -4.71 0.13 -0.59 2.37 1.74 0.42 -1.34 116.66 114.70 1y3k n ARG 62 Ca -0.09 0.54 0.47 0.00 -0.77 0.00 0.00 57.85 58.00 1y3k n ARG 62 Cb 0.36 -1.86 0.79 0.00 -1.02 0.00 0.00 32.46 30.73 1y3k n ARG 62 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1y3k h GLU 63 N 0.00 0.01 0.00 5.56 4.39 -0.83 0.19 114.58 123.91 1y3k h GLU 63 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1y3k h GLU 63 Cb 0.12 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1y3k h GLU 63 CO 0.00 0.01 -0.05 1.28 -1.16 0.00 0.00 179.01 179.09 1y3k n LEU 64 N -4.09 0.84 0.00 1.33 4.77 -0.45 -4.92 117.00 114.48 1y3k n LEU 64 Ca 0.39 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 1y3k n LEU 64 Cb 1.76 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 42.55 1y3k n LEU 64 CO 0.41 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1y3k n GLY 65 N 1.30 0.39 3.91 -0.72 0.00 0.68 -5.06 105.19 105.69 1y3k n GLY 65 Ca 0.05 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 3.49 -1.54 1.61 0.08 -1.26 -4.98 117.98 113.37 1y3k s PHE 66 Ca 0.00 0.65 -0.10 0.00 0.12 0.00 0.00 56.93 57.60 1y3k s PHE 66 Cb 0.00 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 1y3k s PHE 66 CO 0.00 0.11 2.73 0.41 -0.10 0.00 0.00 175.22 178.37 1y3k n GLY 67 N -1.17 4.46 3.85 4.36 0.00 -1.26 -4.78 105.19 110.65 1y3k n GLY 67 Ca -0.02 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 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 1.67 3.19 -0.25 4.61 0.00 -1.26 -4.29 121.76 125.43 1y3k s ALA 68 Ca 0.63 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.58 1y3k s ALA 68 Cb 0.17 -2.94 0.12 0.00 0.00 0.00 0.00 23.12 20.47 1y3k s ALA 68 CO -0.07 -0.07 0.50 -0.08 0.00 0.00 0.00 175.76 176.05 1y3k s THR 69 N -2.43 -0.79 -0.11 0.00 -1.32 0.00 -4.98 115.64 106.01 1y3k s THR 69 Ca 0.56 0.06 -0.14 0.00 -1.21 0.00 0.00 61.69 60.97 1y3k s THR 69 Cb -0.10 -0.82 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 1y3k s THR 69 CO 0.28 0.01 0.32 0.54 -2.21 0.00 0.00 174.62 173.56 1y3k s VAL 70 N 2.72 5.26 0.12 5.08 0.11 -1.26 -0.66 120.40 131.77 1y3k s VAL 70 Ca 0.02 0.61 0.02 0.00 -2.93 0.00 0.00 61.98 59.70 1y3k s VAL 70 Cb -0.13 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 1y3k s VAL 70 CO -0.16 0.46 -0.07 0.27 -3.33 0.00 0.00 175.10 172.27 1y3k s ILE 71 N -0.06 0.82 0.49 7.04 -4.36 0.53 -5.00 121.20 120.66 1y3k s ILE 71 Ca 0.19 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.63 1y3k s ILE 71 Cb -0.14 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 1y3k s ILE 71 CO 0.07 -0.78 0.01 -1.83 0.24 0.00 0.00 174.94 172.64 1y3k s GLU 72 N -3.82 2.15 0.04 0.37 -1.05 -1.26 -1.38 118.70 113.75 1y3k s GLU 72 Ca 0.15 -2.34 0.00 0.00 -0.15 0.00 0.00 54.97 52.63 1y3k s GLU 72 Cb 0.05 -1.56 0.00 0.00 -0.44 0.00 0.00 34.13 32.18 1y3k s GLU 72 CO -0.02 -0.30 0.00 0.09 0.95 0.00 0.00 175.26 175.98 1y3k n ASN 73 N -1.21 -0.35 -4.05 0.83 4.13 -1.26 -4.98 115.26 108.37 1y3k n ASN 73 Ca -0.16 0.08 -0.15 0.00 1.68 0.00 0.00 54.58 56.03 1y3k n ASN 73 Cb 0.67 0.67 -0.13 0.00 -1.54 0.00 0.00 39.78 39.45 1y3k n ASN 73 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1y3k s ILE 74 N -2.00 0.62 -0.52 2.41 -4.36 -1.26 -5.04 121.20 111.05 1y3k s ILE 74 Ca 0.00 -0.82 0.05 0.00 -0.26 0.00 0.00 60.65 59.62 1y3k s ILE 74 Cb 0.00 -0.61 0.07 0.00 1.25 0.00 0.00 42.46 43.16 1y3k s ILE 74 CO 0.00 -0.16 0.80 -0.62 0.24 0.00 0.00 174.94 175.20 1y3k n GLU 75 N 1.98 0.73 0.00 0.37 1.02 -1.26 -4.70 120.64 118.78 1y3k n GLU 75 Ca -0.19 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.86 1y3k n GLU 75 Cb 0.56 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1y3k n GLU 75 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y3k n GLY 76 N 0.15 2.74 0.00 0.62 0.00 -1.26 -4.90 105.19 102.54 1y3k n GLY 76 Ca 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1y3k n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19