#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 -0.56 0.15 1.20 1.04 -1.26 -4.67 113.70 109.60 1y3k s SER 2 Ca 0.00 0.71 0.03 0.00 0.48 0.00 0.00 55.95 57.17 1y3k s SER 2 Cb 0.00 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 1y3k s SER 2 CO 0.00 -0.44 -0.06 -0.94 0.98 0.00 0.00 173.24 172.78 1y3k s SER 3 N -0.87 1.50 -0.25 7.02 1.04 0.54 -4.63 113.70 118.05 1y3k s SER 3 Ca -0.06 -1.07 -0.21 0.00 0.48 0.00 0.00 55.95 55.09 1y3k s SER 3 Cb -0.01 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1y3k s SER 3 CO 0.05 -0.44 0.64 -0.54 0.98 0.00 0.00 173.24 173.93 1y3k s LYS 4 N -3.82 4.12 -0.26 4.02 1.02 -1.26 -0.11 119.74 123.45 1y3k s LYS 4 Ca 0.19 0.58 -0.25 0.00 0.02 0.00 0.00 55.97 56.50 1y3k s LYS 4 Cb 0.04 -3.65 -0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1y3k s LYS 4 CO 0.01 -0.41 0.87 0.00 -0.92 0.00 0.00 175.35 174.89 1y3k s TYR 6 N 2.97 3.37 0.16 0.00 6.14 0.55 -2.61 117.35 127.93 1y3k s TYR 6 Ca 0.36 -1.48 0.05 0.00 0.64 0.00 0.00 57.07 56.65 1y3k s TYR 6 Cb -0.15 -3.87 -0.04 0.00 0.42 0.00 0.00 41.96 38.32 1y3k s TYR 6 CO 0.09 -1.09 0.13 0.42 0.64 0.00 0.00 175.55 175.74 1y3k s ILE 7 N 1.36 4.47 0.08 3.14 1.01 0.38 -0.40 121.20 131.24 1y3k s ILE 7 Ca 0.11 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1y3k s ILE 7 Cb -0.21 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 1y3k s ILE 7 CO -0.01 -0.11 -0.09 -1.58 0.00 0.00 0.00 174.94 173.15 1y3k s GLN 8 N -3.10 0.74 -0.03 2.79 0.74 0.10 -1.39 119.66 119.50 1y3k s GLN 8 Ca 0.31 -1.05 -0.01 0.00 0.05 0.00 0.00 55.36 54.66 1y3k s GLN 8 Cb -0.10 -0.41 0.03 0.00 1.10 0.00 0.00 33.01 33.63 1y3k s GLN 8 CO 0.23 0.06 0.04 0.08 -0.55 0.00 0.00 175.29 175.15 1y3k s VAL 9 N -2.24 -0.06 -0.95 1.34 1.01 -1.26 -1.45 120.40 116.78 1y3k s VAL 9 Ca 0.01 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 1y3k s VAL 9 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 1y3k s VAL 9 CO -0.01 0.15 2.86 0.35 0.00 0.00 0.00 175.10 178.45 1y3k n THR 10 N 4.81 4.15 -2.65 3.92 -2.24 -1.20 -3.91 114.28 117.16 1y3k n THR 10 Ca -0.14 -3.05 -0.02 0.00 -2.27 0.00 0.00 64.05 58.56 1y3k n THR 10 Cb 0.50 -2.09 0.09 0.00 -2.10 0.00 0.00 70.33 66.73 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 2.14 -1.63 0.23 3.38 0.00 -1.26 -4.91 105.19 103.14 1y3k n GLY 11 Ca 0.60 0.78 -0.14 0.00 0.00 0.00 0.00 46.02 47.26 1y3k n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3k h MET 12 N 1.83 0.80 -3.35 1.61 3.00 -1.92 -3.34 114.93 113.56 1y3k h MET 12 Ca -0.41 -0.45 -0.55 0.00 0.00 0.00 0.00 59.70 58.29 1y3k h MET 12 Cb 1.24 0.03 0.02 0.00 0.00 0.00 0.00 31.60 32.88 1y3k h MET 12 CO -0.07 1.08 3.20 -2.37 0.00 0.00 0.00 176.91 178.76 1y3k n THR 13 N -4.15 3.33 -4.78 -0.10 5.66 -1.26 -4.84 114.28 108.14 1y3k n THR 13 Ca -0.04 -2.10 -0.25 0.00 -3.05 0.00 0.00 64.05 58.61 1y3k n THR 13 Cb 0.53 -2.40 -0.15 0.00 -1.55 0.00 0.00 70.33 66.76 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 -0.59 1.20 -1.44 0.00 0.00 -1.26 -3.67 121.76 115.99 1y3k s ALA 15 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1y3k s ALA 15 Cb -0.08 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.49 1y3k s ALA 15 CO 0.00 -5.32 0.00 0.43 0.00 0.00 0.00 175.76 170.87 1y3k n SER 16 N 16.30 -4.94 0.34 0.00 7.64 -1.26 -4.92 113.62 126.77 1y3k n SER 16 Ca 0.43 -0.00 -0.16 0.00 1.01 0.00 0.00 58.87 60.14 1y3k n SER 16 Cb 0.45 -4.04 -0.08 0.00 -1.01 0.00 0.00 64.21 59.53 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 -0.98 0.39 -0.74 0.00 2.07 -1.91 -1.47 116.25 113.62 1y3k h VAL 18 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1y3k h VAL 18 Cb 0.79 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1y3k h VAL 18 CO 0.07 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.11 1y3k h ALA 19 N 1.99 0.99 0.11 1.67 0.00 -1.90 0.41 119.26 122.53 1y3k h ALA 19 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1y3k h ALA 19 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1y3k h ALA 19 CO -0.00 0.18 -0.05 -0.97 0.00 0.00 0.00 179.25 178.41 1y3k h ASN 20 N 0.84 -0.13 -0.93 0.00 -1.24 -1.30 -2.88 115.58 109.94 1y3k h ASN 20 Ca 0.32 -0.21 0.10 0.00 0.71 0.00 0.00 56.30 57.21 1y3k h ASN 20 Cb 0.12 0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.13 1y3k h ASN 20 CO -0.15 0.15 0.60 0.40 -1.29 0.00 0.00 177.43 177.13 1y3k h ILE 21 N -0.41 0.98 0.13 2.57 5.03 -1.41 -1.64 117.51 122.77 1y3k h ILE 21 Ca -0.02 -0.33 0.01 0.00 -0.12 0.00 0.00 64.86 64.41 1y3k h ILE 21 Cb 0.33 -0.06 -0.05 0.00 -3.03 0.00 0.00 36.82 34.02 1y3k h ILE 21 CO 0.03 0.17 -0.53 -0.33 -0.68 0.00 0.00 178.15 176.81 1y3k h GLU 22 N 0.96 -0.74 0.00 2.37 5.08 -0.04 0.15 114.58 122.36 1y3k h GLU 22 Ca 0.43 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1y3k h GLU 22 Cb 0.38 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1y3k h GLU 22 CO -0.19 -0.49 0.00 0.54 -1.00 0.00 0.00 179.01 177.87 1y3k n ARG 23 N -5.49 0.01 -0.05 2.33 5.12 -0.89 -0.77 116.66 116.92 1y3k n ARG 23 Ca -0.09 0.36 -0.22 0.00 -1.93 0.00 0.00 57.85 55.98 1y3k n ARG 23 Cb 0.42 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.09 1y3k n ARG 23 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 1y3k h ASN 24 N 0.00 0.20 0.02 0.55 -1.24 -0.03 -3.41 115.58 111.67 1y3k h ASN 24 Ca 0.00 -0.72 0.00 0.00 0.71 0.00 0.00 56.30 56.29 1y3k h ASN 24 Cb 0.12 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1y3k h ASN 24 CO 0.00 1.62 -0.80 -0.11 -1.29 0.00 0.00 177.43 176.85 1y3k n LEU 25 N -4.05 1.30 -0.23 0.34 7.94 0.31 -4.00 117.00 118.62 1y3k n LEU 25 Ca -0.30 -0.55 0.04 0.00 -1.11 0.00 0.00 56.01 54.08 1y3k n LEU 25 Cb 0.83 -0.01 0.10 0.00 0.53 0.00 0.00 43.42 44.86 1y3k n LEU 25 CO 0.31 0.28 0.42 -2.11 -1.11 0.00 0.00 177.39 175.18 1y3k n ARG 26 N -1.02 -0.06 0.00 1.96 1.85 0.05 -4.13 116.66 115.31 1y3k n ARG 26 Ca 0.06 0.99 0.00 0.00 -1.00 0.00 0.00 57.85 57.89 1y3k n ARG 26 Cb 0.37 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.31 1y3k n ARG 26 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1y3k n ARG 27 N -5.02 0.00 0.00 2.89 1.74 -1.26 -4.30 116.66 110.71 1y3k n ARG 27 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1y3k n ARG 27 Cb 0.33 -0.28 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 1y3k n ARG 27 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1y3k n GLU 28 N -1.86 0.00 -2.95 5.56 2.13 -1.26 -0.50 120.64 121.77 1y3k n GLU 28 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1y3k n GLU 28 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1y3k n GLU 28 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1y3k n GLU 29 N 11.63 3.76 0.00 5.31 -0.58 -1.26 -4.70 120.64 134.79 1y3k n GLU 29 Ca 0.00 -4.77 0.00 0.00 -0.42 0.00 0.00 57.16 51.97 1y3k n GLU 29 Cb 0.00 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 28.55 1y3k n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y3k n GLY 30 N 0.08 0.87 3.38 0.62 0.00 -1.13 -4.22 105.19 104.80 1y3k n GLY 30 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.96 2.29 0.00 -0.61 1.01 0.34 -2.52 121.20 120.75 1y3k s ILE 31 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.11 1y3k s ILE 31 Cb 0.00 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1y3k s ILE 31 CO 0.00 0.23 0.03 -1.22 0.00 0.00 0.00 174.94 173.98 1y3k n TYR 32 N 1.31 0.00 -3.62 3.97 4.02 0.59 -4.33 117.16 119.11 1y3k n TYR 32 Ca -0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.61 1y3k n TYR 32 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.58 -0.36 0.23 7.72 0.15 -1.07 -4.90 113.70 114.88 1y3k s SER 33 Ca 0.00 -0.29 0.11 0.00 0.70 0.00 0.00 55.95 56.47 1y3k s SER 33 Cb 0.00 0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 1y3k s SER 33 CO 0.00 -1.01 -0.14 -0.51 1.20 0.00 0.00 173.24 172.78 1y3k s ILE 34 N -3.82 2.84 0.06 6.45 1.10 -1.26 -0.60 121.20 125.97 1y3k s ILE 34 Ca 0.05 -2.03 -0.30 0.00 -0.51 0.00 0.00 60.65 57.86 1y3k s ILE 34 Cb -0.01 -2.45 -0.05 0.00 0.15 0.00 0.00 42.46 40.10 1y3k s ILE 34 CO -0.07 -0.26 1.09 -1.48 -2.11 0.00 0.00 174.94 172.11 1y3k s LEU 35 N -3.19 4.39 -0.36 8.50 0.05 -1.21 -4.40 118.68 122.46 1y3k s LEU 35 Ca 0.27 1.88 0.06 0.00 0.05 0.00 0.00 54.13 56.39 1y3k s LEU 35 Cb -0.07 -3.58 0.18 0.00 -2.05 0.00 0.00 46.19 40.67 1y3k s LEU 35 CO 0.15 -0.34 0.55 0.54 -0.55 0.00 0.00 176.35 176.70 1y3k s VAL 36 N 0.82 -0.84 -0.31 1.48 0.11 -1.26 -4.74 120.40 115.66 1y3k s VAL 36 Ca 0.54 -0.20 0.18 0.00 -2.93 0.00 0.00 61.98 59.58 1y3k s VAL 36 Cb -0.26 -0.49 0.46 0.00 -1.53 0.00 0.00 36.38 34.56 1y3k s VAL 36 CO 0.29 -0.13 1.19 0.00 -3.33 0.00 0.00 175.10 173.12 1y3k n ALA 37 N 4.77 2.70 -0.34 1.54 0.00 -0.58 -4.75 120.51 123.85 1y3k n ALA 37 Ca 0.08 -2.31 0.12 0.00 0.00 0.00 0.00 53.44 51.32 1y3k n ALA 37 Cb 0.53 -0.90 0.30 0.00 0.00 0.00 0.00 19.45 19.38 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 2.30 0.70 -1.36 0.00 6.46 -1.93 0.41 115.31 121.90 1y3k h LEU 38 Ca -0.21 0.10 0.42 0.00 -0.12 0.00 0.00 57.88 58.07 1y3k h LEU 38 Cb 1.26 -0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 41.08 1y3k h LEU 38 CO 0.15 0.25 0.94 0.80 -0.62 0.00 0.00 178.44 179.96 1y3k n MET 39 N -4.81 -0.01 0.00 1.25 1.56 -1.26 -2.91 117.12 110.94 1y3k n MET 39 Ca 0.22 0.91 0.00 0.00 -0.27 0.00 0.00 57.70 58.56 1y3k n MET 39 Cb 0.54 -1.96 0.00 0.00 2.15 0.00 0.00 33.22 33.95 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 -2.65 3.00 0.00 -5.12 0.00 -0.67 -5.08 120.51 110.00 1y3k n ALA 40 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1y3k n ALA 40 Cb 1.44 0.38 0.00 0.00 0.00 0.00 0.00 19.45 21.27 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 2.63 -0.03 3.33 0.00 0.00 0.13 -5.01 105.19 106.24 1y3k n GLY 41 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 1.70 -0.25 1.61 1.02 -0.24 -4.41 119.74 119.18 1y3k s LYS 42 Ca 0.00 -1.99 -0.05 0.00 0.02 0.00 0.00 55.97 53.95 1y3k s LYS 42 Cb 0.00 0.08 0.13 0.00 -0.52 0.00 0.00 37.83 37.52 1y3k s LYS 42 CO 0.00 -0.56 0.47 0.00 -0.92 0.00 0.00 175.35 174.34 1y3k s ALA 43 N -3.50 -1.47 -0.65 5.17 0.00 -0.48 -1.52 121.76 119.31 1y3k s ALA 43 Ca 0.37 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.83 1y3k s ALA 43 Cb 0.03 -1.68 0.16 0.00 0.00 0.00 0.00 23.12 21.63 1y3k s ALA 43 CO 0.22 -1.08 0.42 -2.00 0.00 0.00 0.00 175.76 173.33 1y3k s GLU 44 N 2.68 2.35 0.05 0.00 2.12 -1.26 -0.47 118.70 124.17 1y3k s GLU 44 Ca 0.08 -3.04 -0.13 0.00 0.36 0.00 0.00 54.97 52.24 1y3k s GLU 44 Cb -0.14 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 30.75 1y3k s GLU 44 CO -0.16 -1.21 0.43 0.54 -0.54 0.00 0.00 175.26 174.31 1y3k s VAL 45 N -0.95 5.02 -0.31 3.70 0.11 -1.07 -3.34 120.40 123.56 1y3k s VAL 45 Ca 0.22 0.69 -0.07 0.00 -2.93 0.00 0.00 61.98 59.89 1y3k s VAL 45 Cb -0.14 -3.69 0.02 0.00 -1.53 0.00 0.00 36.38 31.04 1y3k s VAL 45 CO -0.09 0.42 0.09 -0.60 -3.33 0.00 0.00 175.10 171.59 1y3k s ARG 46 N -1.54 2.97 0.45 1.54 3.52 0.23 -0.20 118.95 125.93 1y3k s ARG 46 Ca 0.30 -0.95 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1y3k s ARG 46 Cb -0.15 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1y3k s ARG 46 CO 0.16 -0.51 0.07 2.48 -0.81 0.00 0.00 175.30 176.69 1y3k n TYR 47 N 4.86 0.72 -3.70 5.12 4.11 0.85 -0.30 117.16 128.82 1y3k n TYR 47 Ca -0.14 -2.16 -0.29 0.00 -0.00 0.00 0.00 57.90 55.31 1y3k n TYR 47 Cb 0.47 -0.31 -0.15 0.00 -0.00 0.00 0.00 39.34 39.35 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 -3.51 3.72 -1.08 9.48 2.47 -1.05 -0.34 114.94 124.63 1y3k s ASN 48 Ca 0.05 -1.41 -0.19 0.00 0.42 0.00 0.00 52.86 51.73 1y3k s ASN 48 Cb -0.00 -0.72 -0.07 0.00 -1.45 0.00 0.00 41.25 39.00 1y3k s ASN 48 CO 0.03 -0.40 1.99 -0.81 -3.72 0.00 0.00 177.10 174.20 1y3k n PRO 49 N 4.96 2.07 0.04 0.43 -0.04 -1.26 -3.63 135.00 137.57 1y3k n PRO 49 Ca -0.04 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.13 1y3k n PRO 49 Cb 0.43 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 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 8.16 3.00 -0.02 0.55 0.00 -1.26 -4.95 120.51 125.99 1y3k n ALA 50 Ca 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 1y3k n ALA 50 Cb 0.41 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.87 1.18 -0.20 0.00 0.31 -1.24 -4.82 118.33 110.69 1y3k n VAL 51 Ca 0.00 0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 64.48 1y3k n VAL 51 Cb 0.06 -1.85 0.06 0.00 -0.91 0.00 0.00 33.84 31.21 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 -0.41 1.03 -0.75 2.52 2.10 -1.73 -3.49 117.51 116.77 1y3k h ILE 52 Ca -0.07 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1y3k h ILE 52 Cb 0.61 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 36.65 1y3k h ILE 52 CO -0.04 0.12 -0.03 0.00 -1.08 0.00 0.00 178.15 177.12 1y3k n GLN 53 N -4.78 -0.17 -0.17 2.19 1.13 -1.26 -4.52 117.38 109.80 1y3k n GLN 53 Ca 0.06 0.43 -0.03 0.00 -1.94 0.00 0.00 57.00 55.52 1y3k n GLN 53 Cb 0.11 -0.13 0.04 0.00 0.11 0.00 0.00 30.24 30.36 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 0.12 -0.01 -0.14 -1.09 0.13 -1.94 -0.75 132.00 128.31 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 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1y3k h PRO 54 CO 0.00 -0.01 0.09 -1.00 -0.23 0.00 0.00 178.00 176.85 1y3k h PRO 55 N -0.01 0.19 -0.28 1.56 0.13 -2.02 -2.63 132.00 128.94 1y3k h PRO 55 Ca 0.25 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.23 1y3k h PRO 55 Cb 0.39 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1y3k h PRO 55 CO -0.55 0.13 -0.38 0.52 -0.23 0.00 0.00 178.00 177.50 1y3k h MET 56 N 0.19 0.74 -0.64 0.86 2.86 -1.39 -2.83 114.93 114.73 1y3k h MET 56 Ca 0.05 -0.43 0.06 0.00 -2.06 0.00 0.00 59.70 57.33 1y3k h MET 56 Cb -0.01 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.59 1y3k h MET 56 CO -0.01 1.05 -0.56 0.82 1.06 0.00 0.00 176.91 179.28 1y3k h ILE 57 N 0.49 0.00 -0.42 -1.22 2.04 -1.03 0.14 117.51 117.50 1y3k h ILE 57 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1y3k h ILE 57 Cb 0.97 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 1y3k h ILE 57 CO 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 178.15 177.73 1y3k h ALA 58 N 0.14 -0.71 -0.39 1.87 0.00 -1.56 -1.72 119.26 116.89 1y3k h ALA 58 Ca 0.11 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1y3k h ALA 58 Cb 0.51 1.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 1y3k h ALA 58 CO -0.72 -0.97 -0.17 0.93 0.00 0.00 0.00 179.25 178.33 1y3k h GLU 59 N -0.32 -0.09 -0.84 0.00 4.39 -1.01 0.22 114.58 116.93 1y3k h GLU 59 Ca 0.07 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.94 1y3k h GLU 59 Cb 0.52 0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 29.03 1y3k h GLU 59 CO -0.57 -0.06 -0.23 0.35 -1.16 0.00 0.00 179.01 177.35 1y3k h PHE 60 N -0.09 -0.50 -0.30 4.33 3.04 -0.50 0.52 116.94 123.43 1y3k h PHE 60 Ca 0.19 0.08 -0.12 0.00 3.98 0.00 0.00 57.97 62.09 1y3k h PHE 60 Cb 0.39 0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1y3k h PHE 60 CO -0.40 -0.37 -0.33 0.82 -2.02 0.00 0.00 178.31 176.02 1y3k h ILE 61 N -0.01 1.28 0.00 1.41 2.04 0.16 -1.90 117.51 120.50 1y3k h ILE 61 Ca 0.39 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1y3k h ILE 61 Cb 0.61 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1y3k h ILE 61 CO -0.86 0.47 0.00 0.54 0.00 0.00 0.00 178.15 178.30 1y3k n ARG 62 N -4.07 0.18 -0.31 2.37 1.74 0.48 -2.95 116.66 114.10 1y3k n ARG 62 Ca -0.01 0.17 0.35 0.00 -0.77 0.00 0.00 57.85 57.59 1y3k n ARG 62 Cb 0.48 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 31.16 1y3k n ARG 62 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1y3k h GLU 63 N 0.00 0.00 0.00 5.56 4.11 -0.44 0.22 114.58 124.03 1y3k h GLU 63 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1y3k h GLU 63 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1y3k h GLU 63 CO 0.00 0.00 -0.36 -0.07 0.07 0.00 0.00 179.01 178.65 1y3k h LEU 64 N 0.00 0.00 0.01 3.06 3.38 -1.77 -3.47 115.31 116.51 1y3k h LEU 64 Ca 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.52 1y3k h LEU 64 Cb 2.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.04 1y3k h LEU 64 CO -0.01 0.25 -0.00 0.61 0.09 0.00 0.00 178.44 179.38 1y3k n GLY 65 N 1.18 0.39 3.87 0.83 0.00 0.76 -5.06 105.19 107.15 1y3k n GLY 65 Ca 0.02 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.01 3.51 -1.46 1.61 0.40 -1.26 -4.96 117.98 113.81 1y3k s PHE 66 Ca 0.00 1.16 -0.13 0.00 -0.60 0.00 0.00 56.93 57.36 1y3k s PHE 66 Cb 0.00 -2.56 0.04 0.00 0.51 0.00 0.00 43.02 41.01 1y3k s PHE 66 CO 0.00 -0.32 2.29 0.41 0.70 0.00 0.00 175.22 178.30 1y3k n GLY 67 N -1.82 4.45 3.84 4.36 0.00 -1.26 -4.77 105.19 109.98 1y3k n GLY 67 Ca 0.04 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 2.70 3.12 -0.14 4.61 0.00 -1.26 -3.28 121.76 127.51 1y3k s ALA 68 Ca 0.49 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 1y3k s ALA 68 Cb 0.14 -3.04 0.07 0.00 0.00 0.00 0.00 23.12 20.29 1y3k s ALA 68 CO -0.08 -0.02 0.25 -0.08 0.00 0.00 0.00 175.76 175.83 1y3k s THR 69 N -2.37 -0.39 -0.24 0.00 -1.32 -0.53 -5.01 115.64 105.78 1y3k s THR 69 Ca 0.58 0.21 -0.09 0.00 -1.21 0.00 0.00 61.69 61.18 1y3k s THR 69 Cb -0.10 -0.48 -0.04 0.00 -1.51 0.00 0.00 72.50 70.37 1y3k s THR 69 CO 0.24 0.06 0.12 0.54 -2.21 0.00 0.00 174.62 173.37 1y3k s VAL 70 N 2.39 4.96 0.29 5.08 0.11 -1.26 -0.72 120.40 131.25 1y3k s VAL 70 Ca 0.03 0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 1y3k s VAL 70 Cb -0.13 -3.31 -0.02 0.00 -1.53 0.00 0.00 36.38 31.39 1y3k s VAL 70 CO -0.09 0.34 0.18 2.30 -3.33 0.00 0.00 175.10 174.50 1y3k n ILE 71 N 4.48 0.00 -3.59 7.04 -5.35 0.47 -4.99 119.36 117.42 1y3k n ILE 71 Ca -0.15 -1.95 -0.01 0.00 -0.27 0.00 0.00 62.75 60.37 1y3k n ILE 71 Cb 0.52 0.85 0.01 0.00 -1.74 0.00 0.00 39.64 39.28 1y3k n ILE 71 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1y3k n GLU 72 N -0.61 0.18 0.19 6.28 0.28 -1.26 -0.33 120.64 125.37 1y3k n GLU 72 Ca 0.01 -0.42 0.00 0.00 -0.16 0.00 0.00 57.16 56.59 1y3k n GLU 72 Cb 0.49 0.58 0.00 0.00 1.43 0.00 0.00 31.44 33.94 1y3k n GLU 72 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1y3k n ASN 73 N -0.76 -2.46 -3.84 -1.84 5.03 -1.26 -4.98 115.26 105.15 1y3k n ASN 73 Ca -0.00 0.70 -0.12 0.00 0.87 0.00 0.00 54.58 56.02 1y3k n ASN 73 Cb 0.17 2.39 -0.10 0.00 -1.02 0.00 0.00 39.78 41.22 1y3k n ASN 73 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1y3k s ILE 74 N -2.00 0.05 0.42 2.41 -4.36 -1.26 -5.16 121.20 111.30 1y3k s ILE 74 Ca 0.00 -0.44 -0.23 0.00 -0.26 0.00 0.00 60.65 59.72 1y3k s ILE 74 Cb 0.00 -0.40 -0.09 0.00 1.25 0.00 0.00 42.46 43.22 1y3k s ILE 74 CO 0.00 -0.24 1.03 -1.61 0.24 0.00 0.00 174.94 174.36 1y3k s GLU 75 N -0.88 4.10 -0.84 0.37 8.01 -1.26 -4.83 118.70 123.37 1y3k s GLU 75 Ca -0.10 1.44 -0.08 0.00 0.01 0.00 0.00 54.97 56.24 1y3k s GLU 75 Cb -0.05 -2.42 -0.17 0.00 -4.31 0.00 0.00 34.13 27.18 1y3k s GLU 75 CO 0.01 -0.18 3.20 0.41 0.01 0.00 0.00 175.26 178.71 1y3k n GLY 76 N 0.14 3.60 3.24 -1.39 0.00 -1.26 -5.07 105.19 104.44 1y3k n GLY 76 Ca 0.06 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1y3k n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86