#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 -0.29 0.39 0.53 1.04 -1.26 -4.81 113.70 109.30 1y3k s SER 2 Ca 0.00 0.55 0.08 0.00 0.48 0.00 0.00 55.95 57.06 1y3k s SER 2 Cb 0.00 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 1y3k s SER 2 CO 0.00 -0.14 0.48 -0.44 0.98 0.00 0.00 173.24 174.12 1y3k s SER 3 N 0.84 5.57 -0.16 7.02 0.01 0.76 -4.64 113.70 123.10 1y3k s SER 3 Ca -0.06 -0.44 -0.10 0.00 1.31 0.00 0.00 55.95 56.66 1y3k s SER 3 Cb -0.07 -0.80 -0.05 0.00 0.21 0.00 0.00 66.02 65.31 1y3k s SER 3 CO -0.05 -0.62 0.17 -0.54 0.41 0.00 0.00 173.24 172.60 1y3k s LYS 4 N -4.23 3.94 -0.19 12.44 1.02 -1.26 -0.28 119.74 131.17 1y3k s LYS 4 Ca 0.50 -0.12 -0.05 0.00 0.02 0.00 0.00 55.97 56.32 1y3k s LYS 4 Cb -0.08 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1y3k s LYS 4 CO 0.31 0.47 -0.01 0.00 -0.92 0.00 0.00 175.35 175.19 1y3k s TYR 6 N 0.94 3.31 0.04 0.00 6.14 -0.80 -1.70 117.35 125.28 1y3k s TYR 6 Ca 0.01 0.58 0.08 0.00 0.64 0.00 0.00 57.07 58.38 1y3k s TYR 6 Cb -0.14 -2.60 -0.03 0.00 0.42 0.00 0.00 41.96 39.61 1y3k s TYR 6 CO 0.02 -0.14 -0.23 0.42 0.64 0.00 0.00 175.55 176.25 1y3k s ILE 7 N 1.79 2.41 0.22 3.14 1.01 -0.05 -0.31 121.20 129.42 1y3k s ILE 7 Ca 0.19 -1.31 0.06 0.00 0.00 0.00 0.00 60.65 59.59 1y3k s ILE 7 Cb -0.15 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 1y3k s ILE 7 CO 0.09 0.35 -0.10 -1.10 0.00 0.00 0.00 174.94 174.18 1y3k s GLN 8 N -1.33 1.35 -0.10 2.79 -0.21 0.23 -0.99 119.66 121.40 1y3k s GLN 8 Ca 0.13 -1.63 -0.28 0.00 0.02 0.00 0.00 55.36 53.60 1y3k s GLN 8 Cb -0.10 -0.99 0.07 0.00 1.00 0.00 0.00 33.01 32.99 1y3k s GLN 8 CO 0.03 0.09 0.66 0.54 -2.12 0.00 0.00 175.29 174.49 1y3k s VAL 9 N -3.10 0.00 -1.00 1.09 0.11 -1.26 -1.77 120.40 114.49 1y3k s VAL 9 Ca 0.24 -0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.23 1y3k s VAL 9 Cb 0.02 -0.96 0.29 0.00 -1.53 0.00 0.00 36.38 34.20 1y3k s VAL 9 CO 0.08 -0.02 1.24 0.35 -3.33 0.00 0.00 175.10 173.42 1y3k n THR 10 N 1.43 4.52 0.00 5.04 -2.24 -1.25 -4.41 114.28 117.37 1y3k n THR 10 Ca -0.18 -5.66 0.00 0.00 -2.27 0.00 0.00 64.05 55.94 1y3k n THR 10 Cb 0.56 -2.19 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 1y3k n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y3k n GLY 11 N 1.53 0.00 0.13 3.38 0.00 -1.26 -4.97 105.19 104.01 1y3k n GLY 11 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 1y3k n GLY 11 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1y3k h MET 12 N 0.00 0.13 -3.25 1.61 -1.53 -1.89 -3.32 114.93 106.69 1y3k h MET 12 Ca 0.00 -0.12 -0.41 0.00 -3.44 0.00 0.00 59.70 55.72 1y3k h MET 12 Cb 0.00 0.03 0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1y3k h MET 12 CO 0.00 0.83 2.63 -2.37 0.14 0.00 0.00 176.91 178.14 1y3k n THR 13 N -3.72 2.78 -4.14 -0.77 5.66 -1.26 -4.30 114.28 108.53 1y3k n THR 13 Ca -0.02 -1.64 -0.25 0.00 -3.05 0.00 0.00 64.05 59.08 1y3k n THR 13 Cb 0.72 -2.20 -0.07 0.00 -1.55 0.00 0.00 70.33 67.23 1y3k n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y3k s ALA 15 N -2.64 0.56 -1.53 0.00 0.00 -1.26 -3.10 121.76 113.79 1y3k s ALA 15 Ca 0.38 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1y3k s ALA 15 Cb 0.03 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.48 1y3k s ALA 15 CO 0.21 -6.61 0.00 0.43 0.00 0.00 0.00 175.76 169.79 1y3k n SER 16 N 19.27 -5.17 -0.00 0.00 7.64 -1.26 -4.92 113.62 129.17 1y3k n SER 16 Ca 0.43 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.18 1y3k n SER 16 Cb 0.46 -4.25 -0.10 0.00 -1.01 0.00 0.00 64.21 59.31 1y3k n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y3k h VAL 18 N -0.46 0.23 -0.94 0.00 3.04 -1.85 -0.67 116.25 115.61 1y3k h VAL 18 Ca -0.00 0.00 0.27 0.00 -1.01 0.00 0.00 66.70 65.95 1y3k h VAL 18 Cb 0.44 0.23 -0.17 0.00 -2.01 0.00 0.00 31.29 29.79 1y3k h VAL 18 CO 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 177.57 176.70 1y3k h ALA 19 N 0.63 1.26 -0.02 3.17 0.00 -1.91 0.35 119.26 122.74 1y3k h ALA 19 Ca 0.15 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1y3k h ALA 19 Cb 0.55 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1y3k h ALA 19 CO -0.49 -0.57 0.00 -0.97 0.00 0.00 0.00 179.25 177.23 1y3k h ASN 20 N 0.07 0.03 -0.03 0.00 -1.24 -1.13 -1.24 115.58 112.04 1y3k h ASN 20 Ca 0.59 -0.23 0.03 0.00 0.71 0.00 0.00 56.30 57.40 1y3k h ASN 20 Cb 1.25 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 40.26 1y3k h ASN 20 CO -0.81 0.26 -0.15 0.40 -1.29 0.00 0.00 177.43 175.84 1y3k h ILE 21 N -0.20 0.62 -0.68 2.57 5.03 -0.30 -0.92 117.51 123.63 1y3k h ILE 21 Ca 0.01 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.89 1y3k h ILE 21 Cb 0.24 0.62 -0.12 0.00 -3.03 0.00 0.00 36.82 34.53 1y3k h ILE 21 CO 0.00 0.00 -0.04 -0.33 -0.68 0.00 0.00 178.15 177.10 1y3k h GLU 22 N -0.23 0.07 0.00 2.37 5.08 -0.33 0.32 114.58 121.86 1y3k h GLU 22 Ca 0.06 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1y3k h GLU 22 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1y3k h GLU 22 CO -0.17 0.05 -0.24 -0.09 -1.00 0.00 0.00 179.01 177.56 1y3k h ARG 23 N 0.08 0.00 0.00 2.33 2.43 -0.82 0.49 114.38 118.89 1y3k h ARG 23 Ca 0.35 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1y3k h ARG 23 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1y3k h ARG 23 CO -0.62 0.24 -0.00 -0.97 -1.51 0.00 0.00 179.97 177.10 1y3k h ASN 24 N 0.00 -0.01 -0.67 -3.80 -1.24 0.63 -3.34 115.58 107.15 1y3k h ASN 24 Ca -0.00 -0.87 0.01 0.00 0.71 0.00 0.00 56.30 56.15 1y3k h ASN 24 Cb 0.42 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.44 1y3k h ASN 24 CO 0.03 0.89 0.44 -0.07 -1.29 0.00 0.00 177.43 177.43 1y3k h LEU 25 N -0.92 0.75 -2.07 0.34 3.38 -0.39 -2.11 115.31 114.29 1y3k h LEU 25 Ca -0.00 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1y3k h LEU 25 Cb 0.87 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1y3k h LEU 25 CO 0.00 0.54 0.14 0.08 0.09 0.00 0.00 178.44 179.29 1y3k h ARG 26 N 0.89 0.00 0.00 1.13 0.11 -0.13 -1.44 114.38 114.94 1y3k h ARG 26 Ca 0.25 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.16 1y3k h ARG 26 Cb -0.07 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 30.97 1y3k h ARG 26 CO -0.07 0.00 -1.99 0.54 0.10 0.00 0.00 179.97 178.55 1y3k n ARG 27 N -4.32 0.66 -1.49 0.08 5.12 -1.08 -4.85 116.66 110.78 1y3k n ARG 27 Ca 0.01 -0.03 -0.58 0.00 -1.93 0.00 0.00 57.85 55.32 1y3k n ARG 27 Cb 0.27 -1.59 -0.08 0.00 -1.16 0.00 0.00 32.46 29.91 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 -2.59 0.00 -1.41 5.56 1.02 -0.54 -4.68 120.64 118.00 1y3k n GLU 28 Ca -0.16 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.58 1y3k n GLU 28 Cb 0.85 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.74 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 1.47 1.58 0.00 3.49 4.07 -1.26 -1.17 120.64 128.82 1y3k n GLU 29 Ca 0.20 -2.04 0.00 0.00 -0.06 0.00 0.00 57.16 55.26 1y3k n GLU 29 Cb 0.09 -3.13 0.00 0.00 -0.06 0.00 0.00 31.44 28.34 1y3k n GLU 29 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1y3k n GLY 30 N 4.84 0.66 3.76 8.31 0.00 -1.26 -4.32 105.19 117.17 1y3k n GLY 30 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 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 2.47 -0.09 -0.61 -1.09 -0.31 -3.63 121.20 117.94 1y3k s ILE 31 Ca 0.00 0.34 0.02 0.00 -2.23 0.00 0.00 60.65 58.78 1y3k s ILE 31 Cb 0.00 -3.16 -0.07 0.00 -1.58 0.00 0.00 42.46 37.65 1y3k s ILE 31 CO 0.00 -0.02 -0.05 -1.22 -1.23 0.00 0.00 174.94 172.42 1y3k n TYR 32 N -1.05 0.00 -3.85 3.97 4.02 0.51 -4.88 117.16 115.88 1y3k n TYR 32 Ca 0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.88 1y3k n TYR 32 Cb 0.47 -0.35 -0.10 0.00 -0.02 0.00 0.00 39.34 39.33 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 -4.58 -0.04 0.64 7.72 0.15 -1.17 -4.94 113.70 111.48 1y3k s SER 33 Ca -0.10 -0.05 -0.09 0.00 0.70 0.00 0.00 55.95 56.42 1y3k s SER 33 Cb 0.03 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1y3k s SER 33 CO 0.24 -0.29 0.99 0.27 1.20 0.00 0.00 173.24 175.65 1y3k s ILE 34 N -0.99 3.80 -0.07 6.45 -0.00 -1.26 -1.05 121.20 128.08 1y3k s ILE 34 Ca -0.11 0.33 -0.15 0.00 -0.00 0.00 0.00 60.65 60.72 1y3k s ILE 34 Cb -0.06 -3.54 -0.05 0.00 -0.00 0.00 0.00 42.46 38.81 1y3k s ILE 34 CO 0.01 -0.65 0.40 -1.48 -0.00 0.00 0.00 174.94 173.23 1y3k s LEU 35 N -5.16 4.37 -0.38 0.37 0.05 -1.23 -4.34 118.68 112.36 1y3k s LEU 35 Ca 0.55 0.82 0.07 0.00 0.05 0.00 0.00 54.13 55.63 1y3k s LEU 35 Cb -0.11 -2.57 0.18 0.00 -2.05 0.00 0.00 46.19 41.64 1y3k s LEU 35 CO 0.49 0.19 0.58 0.54 -0.55 0.00 0.00 176.35 177.60 1y3k s VAL 36 N -0.27 -0.90 -0.30 1.48 0.11 -1.26 -4.74 120.40 114.52 1y3k s VAL 36 Ca 0.23 -0.14 0.19 0.00 -2.93 0.00 0.00 61.98 59.33 1y3k s VAL 36 Cb -0.15 -0.29 0.47 0.00 -1.53 0.00 0.00 36.38 34.88 1y3k s VAL 36 CO 0.10 -0.09 1.05 0.00 -3.33 0.00 0.00 175.10 172.84 1y3k n ALA 37 N 4.60 2.99 -0.10 1.54 0.00 -0.13 -4.73 120.51 124.68 1y3k n ALA 37 Ca 0.10 -2.84 0.14 0.00 0.00 0.00 0.00 53.44 50.83 1y3k n ALA 37 Cb 0.55 -0.92 0.52 0.00 0.00 0.00 0.00 19.45 19.60 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 2.75 0.34 -0.57 0.00 6.46 -1.92 0.22 115.31 122.58 1y3k h LEU 38 Ca -0.13 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 57.79 1y3k h LEU 38 Cb 1.22 -0.06 -0.11 0.00 -0.73 0.00 0.00 40.66 40.99 1y3k h LEU 38 CO 0.33 0.20 -0.02 0.80 -0.62 0.00 0.00 178.44 179.13 1y3k n MET 39 N -4.46 -0.05 -0.03 1.25 1.56 -1.26 -2.54 117.12 111.59 1y3k n MET 39 Ca 0.11 0.86 -0.04 0.00 -0.27 0.00 0.00 57.70 58.36 1y3k n MET 39 Cb 0.44 -1.35 -0.03 0.00 2.15 0.00 0.00 33.22 34.42 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 -3.46 1.86 0.00 -5.12 0.00 -0.93 -5.06 120.51 107.81 1y3k n ALA 40 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1y3k n ALA 40 Cb 0.41 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 3.11 0.85 3.30 0.00 0.00 0.57 -5.03 105.19 108.00 1y3k n GLY 41 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1y3k n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y3k n LYS 42 N 0.00 0.49 -3.73 1.61 4.01 -0.03 -4.04 118.16 116.48 1y3k n LYS 42 Ca 0.00 -3.42 -0.12 0.00 -0.51 0.00 0.00 58.31 54.26 1y3k n LYS 42 Cb 0.00 2.31 -0.12 0.00 -0.51 0.00 0.00 35.03 36.71 1y3k n LYS 42 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1y3k s ALA 43 N -3.24 -0.75 -0.34 7.82 0.00 -0.16 -0.95 121.76 124.14 1y3k s ALA 43 Ca 0.30 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1y3k s ALA 43 Cb 0.01 -0.68 0.10 0.00 0.00 0.00 0.00 23.12 22.56 1y3k s ALA 43 CO 0.21 -0.20 0.10 -2.00 0.00 0.00 0.00 175.76 173.87 1y3k s GLU 44 N 1.01 1.10 0.16 0.00 2.12 -1.26 -0.87 118.70 120.96 1y3k s GLU 44 Ca -0.07 -1.51 0.05 0.00 0.36 0.00 0.00 54.97 53.79 1y3k s GLU 44 Cb -0.08 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 1y3k s GLU 44 CO -0.07 -0.99 0.15 0.14 -0.54 0.00 0.00 175.26 173.95 1y3k s VAL 45 N 1.17 4.59 -0.12 3.70 -7.23 -0.69 -3.55 120.40 118.28 1y3k s VAL 45 Ca 0.11 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1y3k s VAL 45 Cb -0.19 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.39 1y3k s VAL 45 CO -0.16 -0.09 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.85 1y3k s ARG 46 N -3.07 3.29 0.00 4.82 3.52 -0.22 -0.70 118.95 126.60 1y3k s ARG 46 Ca 0.31 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1y3k s ARG 46 Cb -0.10 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 1y3k s ARG 46 CO 0.24 0.34 0.00 2.48 -0.81 0.00 0.00 175.30 177.55 1y3k n TYR 47 N 3.19 0.00 -3.33 5.12 4.11 0.61 -0.36 117.16 126.50 1y3k n TYR 47 Ca -0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.62 1y3k n TYR 47 Cb 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.80 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 -0.73 0.47 -1.03 9.48 2.47 -1.24 -0.17 114.94 124.20 1y3k s ASN 48 Ca 0.00 -0.25 -0.20 0.00 0.42 0.00 0.00 52.86 52.83 1y3k s ASN 48 Cb 0.00 1.05 -0.09 0.00 -1.45 0.00 0.00 41.25 40.76 1y3k s ASN 48 CO 0.00 -0.34 1.97 -0.81 -3.72 0.00 0.00 177.10 174.20 1y3k n PRO 49 N 5.35 1.93 0.05 0.43 -0.04 -1.26 -3.70 135.00 137.76 1y3k n PRO 49 Ca -0.01 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1y3k n PRO 49 Cb 0.49 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 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 8.53 3.00 -0.11 0.55 0.00 -1.26 -4.96 120.51 126.26 1y3k n ALA 50 Ca 0.49 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 1y3k n ALA 50 Cb 0.42 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.90 1.50 -0.16 0.00 0.31 -1.24 -4.56 118.33 111.28 1y3k n VAL 51 Ca 0.00 -0.06 0.11 0.00 -0.01 0.00 0.00 64.34 64.38 1y3k n VAL 51 Cb 0.00 -2.13 0.44 0.00 -0.91 0.00 0.00 33.84 31.24 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 -1.00 0.89 -2.57 2.52 2.10 -1.75 -3.48 117.51 114.22 1y3k h ILE 52 Ca -0.32 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.44 1y3k h ILE 52 Cb 1.19 0.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.22 1y3k h ILE 52 CO -0.19 0.10 -0.40 0.00 -1.08 0.00 0.00 178.15 176.58 1y3k n GLN 53 N -4.49 -2.31 -0.25 2.19 1.13 -1.26 -4.37 117.38 108.02 1y3k n GLN 53 Ca 0.12 1.93 0.06 0.00 -1.94 0.00 0.00 57.00 57.18 1y3k n GLN 53 Cb 0.39 -1.90 0.18 0.00 0.11 0.00 0.00 30.24 29.02 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 1.80 0.23 -0.56 -1.09 0.13 -1.93 0.27 132.00 130.86 1y3k h PRO 54 Ca 0.00 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1y3k h PRO 54 Cb 0.00 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.05 1y3k h PRO 54 CO 0.00 0.16 0.37 -1.00 -0.23 0.00 0.00 178.00 177.29 1y3k h PRO 55 N 0.24 0.57 -0.13 1.56 0.13 -2.02 -3.04 132.00 129.31 1y3k h PRO 55 Ca 0.42 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.38 1y3k h PRO 55 Cb 0.73 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1y3k h PRO 55 CO -0.53 0.38 -0.45 0.52 -0.23 0.00 0.00 178.00 177.68 1y3k h MET 56 N 0.59 0.54 -0.40 0.86 2.86 -1.18 -3.19 114.93 115.00 1y3k h MET 56 Ca 0.23 -0.40 0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1y3k h MET 56 Cb 0.18 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 1y3k h MET 56 CO -0.06 1.03 -0.25 0.82 1.06 0.00 0.00 176.91 179.51 1y3k h ILE 57 N 0.16 0.00 -0.70 -1.22 2.04 -1.27 0.15 117.51 116.66 1y3k h ILE 57 Ca -0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.95 1y3k h ILE 57 Cb 1.08 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.04 1y3k h ILE 57 CO 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 177.84 1y3k h ALA 58 N -0.40 -0.15 -0.26 1.87 0.00 -1.65 -1.30 119.26 117.37 1y3k h ALA 58 Ca 0.06 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1y3k h ALA 58 Cb 0.18 0.95 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1y3k h ALA 58 CO -0.38 -0.75 -0.16 0.93 0.00 0.00 0.00 179.25 178.89 1y3k h GLU 59 N -0.14 -0.14 -1.01 0.00 5.08 -1.20 0.22 114.58 117.39 1y3k h GLU 59 Ca 0.23 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.86 1y3k h GLU 59 Cb 0.56 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.72 1y3k h GLU 59 CO -0.77 -0.09 0.60 0.35 -1.00 0.00 0.00 179.01 178.10 1y3k h PHE 60 N -0.14 0.96 -0.12 4.33 3.04 0.31 0.26 116.94 125.58 1y3k h PHE 60 Ca 0.14 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.06 1y3k h PHE 60 Cb 0.36 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1y3k h PHE 60 CO -0.34 0.03 -0.21 0.82 -2.02 0.00 0.00 178.31 176.58 1y3k h ILE 61 N 0.52 1.38 0.00 1.41 5.03 -0.14 -3.24 117.51 122.46 1y3k h ILE 61 Ca 0.65 -1.48 0.00 0.00 -0.12 0.00 0.00 64.86 63.92 1y3k h ILE 61 Cb 1.34 2.06 0.00 0.00 -3.03 0.00 0.00 36.82 37.19 1y3k h ILE 61 CO -0.47 0.43 0.00 0.03 -0.68 0.00 0.00 178.15 177.46 1y3k h ARG 62 N -0.08 0.00 -1.69 2.37 3.08 0.25 -3.02 114.38 115.30 1y3k h ARG 62 Ca 0.01 0.00 0.49 0.00 0.07 0.00 0.00 59.98 60.55 1y3k h ARG 62 Cb 0.79 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.78 1y3k h ARG 62 CO 0.05 0.00 1.25 0.93 -1.07 0.00 0.00 179.97 181.13 1y3k h GLU 63 N 0.00 0.00 0.00 0.04 4.39 -0.95 0.37 114.58 118.44 1y3k h GLU 63 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 1y3k h GLU 63 Cb 0.15 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1y3k h GLU 63 CO 0.00 0.00 -0.95 -0.07 -1.16 0.00 0.00 179.01 176.83 1y3k h LEU 64 N 0.00 0.00 -1.33 1.33 3.38 -1.79 -3.49 115.31 113.40 1y3k h LEU 64 Ca 0.80 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.77 1y3k h LEU 64 Cb 3.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 44.04 1y3k h LEU 64 CO -0.01 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.05 1y3k n GLY 65 N 1.34 0.21 2.35 0.83 0.00 0.13 -5.14 105.19 104.91 1y3k n GLY 65 Ca -0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 1y3k n GLY 65 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1y3k n PHE 66 N -0.34 -1.60 -2.72 1.61 -1.74 -1.26 -5.08 117.46 106.33 1y3k n PHE 66 Ca 0.00 -1.33 -0.43 0.00 -0.56 0.00 0.00 57.45 55.13 1y3k n PHE 66 Cb 0.12 0.51 -0.00 0.00 1.52 0.00 0.00 39.48 41.63 1y3k n PHE 66 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1y3k s GLY 67 N -2.37 1.89 0.45 4.97 0.00 -1.26 -4.89 107.32 106.11 1y3k s GLY 67 Ca 0.13 -3.02 -0.17 0.00 0.00 0.00 0.00 44.72 41.66 1y3k s GLY 67 CO 0.10 2.47 0.92 0.00 0.00 0.00 0.00 173.10 176.58 1y3k s ALA 68 N 3.31 3.12 -0.25 3.20 0.00 -1.26 -3.91 121.76 125.97 1y3k s ALA 68 Ca 0.49 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.62 1y3k s ALA 68 Cb 0.01 -3.04 0.14 0.00 0.00 0.00 0.00 23.12 20.23 1y3k s ALA 68 CO 0.03 -0.02 0.40 -0.08 0.00 0.00 0.00 175.76 176.09 1y3k s THR 69 N -2.37 -0.64 -0.28 0.00 -1.32 -0.73 -5.00 115.64 105.30 1y3k s THR 69 Ca 0.58 -0.07 -0.21 0.00 -1.21 0.00 0.00 61.69 60.79 1y3k s THR 69 Cb -0.10 -0.84 -0.01 0.00 -1.51 0.00 0.00 72.50 70.04 1y3k s THR 69 CO 0.24 -0.11 0.64 0.54 -2.21 0.00 0.00 174.62 173.71 1y3k s VAL 70 N 2.58 4.95 0.20 5.08 0.11 -1.26 -0.60 120.40 131.46 1y3k s VAL 70 Ca 0.13 1.02 0.11 0.00 -2.93 0.00 0.00 61.98 60.32 1y3k s VAL 70 Cb -0.15 -3.98 -0.04 0.00 -1.53 0.00 0.00 36.38 30.67 1y3k s VAL 70 CO -0.17 -0.07 -0.24 0.27 -3.33 0.00 0.00 175.10 171.57 1y3k s ILE 71 N 2.59 2.35 0.41 7.04 -5.25 0.58 -5.00 121.20 123.92 1y3k s ILE 71 Ca 0.26 -2.07 0.08 0.00 -0.99 0.00 0.00 60.65 57.93 1y3k s ILE 71 Cb -0.15 -2.14 -0.01 0.00 2.95 0.00 0.00 42.46 43.12 1y3k s ILE 71 CO 0.10 -0.15 0.47 -1.83 -1.79 0.00 0.00 174.94 171.74 1y3k s GLU 72 N -2.76 2.70 0.14 0.37 -1.05 -1.26 -1.90 118.70 114.94 1y3k s GLU 72 Ca 0.22 -1.37 0.00 0.00 -0.15 0.00 0.00 54.97 53.67 1y3k s GLU 72 Cb -0.08 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 1y3k s GLU 72 CO 0.10 -0.21 0.00 0.09 0.95 0.00 0.00 175.26 176.19 1y3k n ASN 73 N -1.69 0.04 -3.25 0.83 5.03 -1.26 -4.92 115.26 110.04 1y3k n ASN 73 Ca 0.05 0.23 -0.05 0.00 0.87 0.00 0.00 54.58 55.69 1y3k n ASN 73 Cb 0.60 0.15 0.02 0.00 -1.02 0.00 0.00 39.78 39.53 1y3k n ASN 73 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1y3k s ILE 74 N -1.54 0.00 1.05 2.41 2.07 -1.26 -5.18 121.20 118.75 1y3k s ILE 74 Ca 0.00 -0.74 -0.13 0.00 -1.41 0.00 0.00 60.65 58.38 1y3k s ILE 74 Cb 0.00 -2.82 0.22 0.00 0.13 0.00 0.00 42.46 39.99 1y3k s ILE 74 CO 0.00 0.00 1.08 -1.61 -1.91 0.00 0.00 174.94 172.50 1y3k s GLU 75 N -2.31 0.05 0.01 3.50 8.01 -1.26 -4.68 118.70 122.02 1y3k s GLU 75 Ca 0.19 0.54 -0.12 0.00 0.01 0.00 0.00 54.97 55.59 1y3k s GLU 75 Cb -0.03 -1.69 -0.07 0.00 -4.31 0.00 0.00 34.13 28.03 1y3k s GLU 75 CO 0.07 -3.00 1.05 0.78 0.01 0.00 0.00 175.26 174.18 1y3k h GLY 76 N -2.09 -0.44 0.00 -1.39 0.00 -1.91 -3.45 103.07 93.79 1y3k h GLY 76 Ca -0.57 0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1y3k h GLY 76 CO 0.56 -0.16 0.00 -2.13 0.00 0.00 0.00 176.54 174.81