#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 7.07 0.23 0.53 0.01 -1.26 -4.30 113.70 115.98 1y3k s SER 2 Ca 0.00 1.44 0.05 0.00 1.31 0.00 0.00 55.95 58.74 1y3k s SER 2 Cb 0.00 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 1y3k s SER 2 CO 0.00 0.02 -0.05 -0.44 0.41 0.00 0.00 173.24 173.19 1y3k s SER 3 N -1.66 2.17 0.16 2.44 0.01 0.55 -4.63 113.70 112.74 1y3k s SER 3 Ca 0.43 -1.17 -0.24 0.00 1.31 0.00 0.00 55.95 56.29 1y3k s SER 3 Cb -0.17 -0.06 -0.08 0.00 0.21 0.00 0.00 66.02 65.93 1y3k s SER 3 CO 0.21 -0.41 0.74 -0.54 0.41 0.00 0.00 173.24 173.66 1y3k s LYS 4 N -3.79 4.48 -0.21 12.44 3.01 -1.26 -0.75 119.74 133.66 1y3k s LYS 4 Ca 0.27 1.07 -0.03 0.00 -1.01 0.00 0.00 55.97 56.26 1y3k s LYS 4 Cb 0.04 -3.21 -0.01 0.00 -1.01 0.00 0.00 37.83 33.64 1y3k s LYS 4 CO 0.08 0.56 -0.06 0.00 0.51 0.00 0.00 175.35 176.44 1y3k s TYR 6 N 1.35 3.52 0.20 0.00 5.04 -0.73 -2.65 117.35 124.08 1y3k s TYR 6 Ca 0.04 -2.36 0.09 0.00 -2.44 0.00 0.00 57.07 52.40 1y3k s TYR 6 Cb -0.14 -3.29 -0.04 0.00 0.35 0.00 0.00 41.96 38.83 1y3k s TYR 6 CO -0.03 -0.95 -0.08 0.42 -1.34 0.00 0.00 175.55 173.57 1y3k s ILE 7 N 0.91 3.22 0.09 3.14 1.09 -0.01 -0.22 121.20 129.42 1y3k s ILE 7 Ca 0.10 -1.71 0.04 0.00 -1.10 0.00 0.00 60.65 57.97 1y3k s ILE 7 Cb -0.23 -2.62 -0.03 0.00 -1.06 0.00 0.00 42.46 38.52 1y3k s ILE 7 CO -0.03 -0.16 -0.11 -1.58 -0.10 0.00 0.00 174.94 172.96 1y3k s GLN 8 N -2.98 0.84 -0.07 2.79 0.74 -0.77 -0.59 119.66 119.63 1y3k s GLN 8 Ca 0.26 -1.12 -0.06 0.00 0.05 0.00 0.00 55.36 54.49 1y3k s GLN 8 Cb -0.08 -0.59 0.02 0.00 1.10 0.00 0.00 33.01 33.46 1y3k s GLN 8 CO 0.16 0.10 0.19 0.08 -0.55 0.00 0.00 175.29 175.27 1y3k s VAL 9 N -2.21 -0.00 -1.06 1.34 1.01 -1.26 -2.02 120.40 116.20 1y3k s VAL 9 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1y3k s VAL 9 Cb -0.04 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1y3k s VAL 9 CO 0.01 0.00 2.74 0.35 0.00 0.00 0.00 175.10 178.20 1y3k n THR 10 N 3.03 4.39 0.00 3.92 -2.24 -1.26 -3.87 114.28 118.25 1y3k n THR 10 Ca -0.13 -3.33 0.00 0.00 -2.27 0.00 0.00 64.05 58.32 1y3k n THR 10 Cb 0.58 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 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 2.06 -1.24 0.16 3.38 0.00 -1.26 -5.01 105.19 103.28 1y3k n GLY 11 Ca 0.61 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.99 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 -0.29 -3.16 1.61 2.86 -1.89 -3.36 114.93 110.71 1y3k h MET 12 Ca 0.00 0.02 -0.28 0.00 -2.06 0.00 0.00 59.70 57.38 1y3k h MET 12 Cb 0.00 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1y3k h MET 12 CO 0.00 0.09 1.76 2.41 1.06 0.00 0.00 176.91 182.23 1y3k n THR 13 N -5.03 2.10 -3.14 2.22 -1.04 -1.26 -4.52 114.28 103.62 1y3k n THR 13 Ca -0.09 -1.20 -0.32 0.00 -2.04 0.00 0.00 64.05 60.41 1y3k n THR 13 Cb 0.26 -2.00 -0.04 0.00 -1.82 0.00 0.00 70.33 66.73 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 0.57 0.00 -2.10 0.00 0.00 -1.26 -0.97 120.51 116.74 1y3k n ALA 15 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 1y3k n ALA 15 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 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 0.35 -0.14 -0.15 0.00 3.41 -1.26 -4.97 113.62 110.85 1y3k n SER 16 Ca 0.00 -1.71 -0.05 0.00 -0.26 0.00 0.00 58.87 56.85 1y3k n SER 16 Cb 0.00 0.01 0.02 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.12 0.62 -0.72 0.00 2.07 -1.85 -2.10 116.25 114.15 1y3k h VAL 18 Ca 0.22 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1y3k h VAL 18 Cb 0.47 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1y3k h VAL 18 CO -0.55 0.11 0.48 0.00 0.02 0.00 0.00 177.57 177.63 1y3k h ALA 19 N 1.66 1.51 0.48 1.67 0.00 -1.05 0.38 119.26 123.91 1y3k h ALA 19 Ca 0.59 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1y3k h ALA 19 Cb 1.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1y3k h ALA 19 CO -0.37 0.45 -0.23 -0.97 0.00 0.00 0.00 179.25 178.13 1y3k h ASN 20 N 0.95 -0.55 -0.90 0.00 -1.24 -1.39 -2.75 115.58 109.70 1y3k h ASN 20 Ca 0.27 -0.08 0.17 0.00 0.71 0.00 0.00 56.30 57.37 1y3k h ASN 20 Cb -0.08 0.14 -0.10 0.00 0.73 0.00 0.00 38.32 39.01 1y3k h ASN 20 CO -0.06 -0.19 0.47 0.40 -1.29 0.00 0.00 177.43 176.76 1y3k h ILE 21 N -0.96 0.66 0.06 2.57 2.04 -1.25 -0.38 117.51 120.25 1y3k h ILE 21 Ca -0.07 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1y3k h ILE 21 Cb 0.59 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1y3k h ILE 21 CO 0.11 0.11 -0.10 -0.33 0.00 0.00 0.00 178.15 177.94 1y3k h GLU 22 N 0.60 -0.16 -0.80 2.37 5.08 -0.25 0.16 114.58 121.58 1y3k h GLU 22 Ca 0.51 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 59.07 1y3k h GLU 22 Cb 0.81 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.95 1y3k h GLU 22 CO -0.41 -0.11 0.01 0.00 -1.00 0.00 0.00 179.01 177.51 1y3k h ARG 23 N -0.17 0.09 0.48 2.33 2.47 -1.09 0.45 114.38 118.94 1y3k h ARG 23 Ca -0.01 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1y3k h ARG 23 Cb 0.16 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1y3k h ARG 23 CO -0.03 0.06 -0.33 -0.91 0.56 0.00 0.00 179.97 179.31 1y3k h ASN 24 N 0.09 -0.86 -0.63 7.04 2.35 -0.90 -3.02 115.58 119.65 1y3k h ASN 24 Ca 0.45 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 56.32 1y3k h ASN 24 Cb 0.81 0.26 -0.04 0.00 0.05 0.00 0.00 38.32 39.40 1y3k h ASN 24 CO -0.71 -0.49 0.41 -0.07 -1.65 0.00 0.00 177.43 174.92 1y3k h LEU 25 N -0.77 0.51 -1.31 1.61 3.38 0.12 -2.23 115.31 116.62 1y3k h LEU 25 Ca -0.06 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.23 1y3k h LEU 25 Cb 0.63 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 1y3k h LEU 25 CO 0.04 0.33 0.70 -0.09 0.09 0.00 0.00 178.44 179.51 1y3k h ARG 26 N 0.58 0.30 0.00 1.13 2.43 0.00 -2.47 114.38 116.36 1y3k h ARG 26 Ca 0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1y3k h ARG 26 Cb 0.33 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1y3k h ARG 26 CO -0.08 0.20 0.00 0.54 -1.51 0.00 0.00 179.97 179.12 1y3k n ARG 27 N -4.71 0.00 0.00 0.20 5.12 -1.06 -4.71 116.66 111.50 1y3k n ARG 27 Ca 0.29 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 1y3k n ARG 27 Cb 1.04 -0.66 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 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 -2.11 0.00 -1.08 5.56 -0.58 -0.86 -2.68 120.64 118.88 1y3k n GLU 28 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 1y3k n GLU 28 Cb 0.00 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.03 1y3k n GLU 28 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1y3k n GLU 29 N 0.00 2.20 0.00 3.49 1.02 -1.26 -4.75 120.64 121.35 1y3k n GLU 29 Ca 0.00 -3.33 0.00 0.00 -0.02 0.00 0.00 57.16 53.81 1y3k n GLU 29 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 1y3k n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y3k n GLY 30 N -1.05 0.00 3.89 0.62 0.00 -1.23 -3.79 105.19 103.62 1y3k n GLY 30 Ca 0.41 0.00 -0.29 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 4.86 -0.04 -0.61 -1.09 -1.09 -2.41 121.20 120.82 1y3k s ILE 31 Ca 0.00 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.83 1y3k s ILE 31 Cb 0.00 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1y3k s ILE 31 CO 0.00 -0.56 -0.01 -1.22 -1.23 0.00 0.00 174.94 171.91 1y3k n TYR 32 N -1.47 0.00 -3.61 3.97 4.02 0.40 -4.86 117.16 115.61 1y3k n TYR 32 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.75 1y3k n TYR 32 Cb 0.54 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.62 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 -3.95 -0.43 0.67 7.72 0.15 -1.11 -4.94 113.70 111.80 1y3k s SER 33 Ca -0.04 0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.90 1y3k s SER 33 Cb 0.01 0.45 0.08 0.00 -1.71 0.00 0.00 66.02 64.85 1y3k s SER 33 CO 0.13 -0.60 0.94 0.27 1.20 0.00 0.00 173.24 175.18 1y3k s ILE 34 N -1.72 2.36 0.15 6.45 -5.25 -1.26 -0.32 121.20 121.62 1y3k s ILE 34 Ca -0.09 -0.47 -0.26 0.00 -0.99 0.00 0.00 60.65 58.83 1y3k s ILE 34 Cb -0.02 -2.89 -0.07 0.00 2.95 0.00 0.00 42.46 42.43 1y3k s ILE 34 CO 0.04 0.00 0.80 -1.48 -1.79 0.00 0.00 174.94 172.51 1y3k s LEU 35 N -5.09 4.57 -0.47 0.37 -0.00 -1.26 -3.82 118.68 112.99 1y3k s LEU 35 Ca 0.61 1.65 0.05 0.00 -0.00 0.00 0.00 54.13 56.45 1y3k s LEU 35 Cb -0.09 -3.34 0.19 0.00 -0.00 0.00 0.00 46.19 42.96 1y3k s LEU 35 CO 0.43 0.15 0.76 0.54 -0.00 0.00 0.00 176.35 178.23 1y3k s VAL 36 N -0.89 -0.88 -0.31 1.48 0.11 -1.26 -4.74 120.40 113.90 1y3k s VAL 36 Ca 0.37 -0.62 0.19 0.00 -2.93 0.00 0.00 61.98 58.99 1y3k s VAL 36 Cb -0.23 0.00 0.47 0.00 -1.53 0.00 0.00 36.38 35.09 1y3k s VAL 36 CO 0.27 0.00 0.98 0.00 -3.33 0.00 0.00 175.10 173.01 1y3k n ALA 37 N 3.31 3.32 0.27 1.54 0.00 -0.42 -4.78 120.51 123.75 1y3k n ALA 37 Ca 0.15 -3.09 0.09 0.00 0.00 0.00 0.00 53.44 50.59 1y3k n ALA 37 Cb 0.57 -0.92 0.69 0.00 0.00 0.00 0.00 19.45 19.79 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 2.94 0.00 -1.60 0.00 6.46 -1.94 0.34 115.31 121.51 1y3k h LEU 38 Ca -0.10 0.00 0.35 0.00 -0.12 0.00 0.00 57.88 58.01 1y3k h LEU 38 Cb 1.19 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.03 1y3k h LEU 38 CO 0.46 0.01 0.82 -0.03 -0.62 0.00 0.00 178.44 179.08 1y3k h MET 39 N 0.00 0.17 0.00 1.25 4.05 -1.92 -3.29 114.93 115.19 1y3k h MET 39 Ca -0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1y3k h MET 39 Cb 0.03 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 1y3k h MET 39 CO 0.00 0.11 -0.82 0.00 0.23 0.00 0.00 176.91 176.43 1y3k n ALA 40 N -2.60 2.74 0.00 0.39 0.00 -0.93 -5.08 120.51 115.03 1y3k n ALA 40 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1y3k n ALA 40 Cb 1.20 0.41 0.00 0.00 0.00 0.00 0.00 19.45 21.06 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 2.84 0.21 3.37 0.00 0.00 0.10 -5.03 105.19 106.68 1y3k n GLY 41 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 1.84 -0.07 1.61 3.01 -0.09 -4.09 119.74 121.95 1y3k s LYS 42 Ca 0.00 -2.09 -0.03 0.00 -1.01 0.00 0.00 55.97 52.84 1y3k s LYS 42 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 37.83 36.87 1y3k s LYS 42 CO 0.00 -0.61 0.14 0.00 0.51 0.00 0.00 175.35 175.39 1y3k s ALA 43 N -3.35 -0.15 -0.53 5.17 0.00 0.24 -1.30 121.76 121.85 1y3k s ALA 43 Ca 0.34 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.92 1y3k s ALA 43 Cb 0.02 -0.63 0.34 0.00 0.00 0.00 0.00 23.12 22.85 1y3k s ALA 43 CO 0.23 -0.38 0.90 -0.85 0.00 0.00 0.00 175.76 175.66 1y3k n GLU 44 N 4.84 2.72 -2.97 0.00 0.28 -1.26 -0.83 120.64 123.42 1y3k n GLU 44 Ca -0.14 -4.52 -0.33 0.00 -0.16 0.00 0.00 57.16 52.01 1y3k n GLU 44 Cb 0.50 -2.12 -0.06 0.00 1.43 0.00 0.00 31.44 31.20 1y3k n GLU 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1y3k s VAL 45 N -4.01 4.57 -0.07 3.84 0.11 -1.08 -4.29 120.40 119.46 1y3k s VAL 45 Ca 0.47 1.15 0.04 0.00 -2.93 0.00 0.00 61.98 60.71 1y3k s VAL 45 Cb 0.30 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.52 1y3k s VAL 45 CO -0.13 -0.27 -0.20 -0.60 -3.33 0.00 0.00 175.10 170.57 1y3k s ARG 46 N -3.15 2.74 0.32 1.54 3.52 0.57 -0.12 118.95 124.38 1y3k s ARG 46 Ca 0.57 -0.81 0.04 0.00 -0.13 0.00 0.00 55.73 55.40 1y3k s ARG 46 Cb -0.10 -2.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.95 1y3k s ARG 46 CO 0.17 0.39 0.31 1.52 -0.81 0.00 0.00 175.30 176.89 1y3k s TYR 47 N -0.16 1.52 -0.37 5.12 1.13 0.07 -0.45 117.35 124.21 1y3k s TYR 47 Ca -0.02 -1.54 0.00 0.00 -1.41 0.00 0.00 57.07 54.10 1y3k s TYR 47 Cb -0.14 -0.54 0.12 0.00 -1.10 0.00 0.00 41.96 40.31 1y3k s TYR 47 CO 0.04 -0.92 0.17 1.21 -2.51 0.00 0.00 175.55 173.54 1y3k s ASN 48 N -3.32 3.69 -1.15 -0.18 2.47 -1.01 -0.33 114.94 115.12 1y3k s ASN 48 Ca 0.38 -2.10 -0.22 0.00 0.42 0.00 0.00 52.86 51.33 1y3k s ASN 48 Cb 0.02 -0.84 -0.08 0.00 -1.45 0.00 0.00 41.25 38.90 1y3k s ASN 48 CO 0.24 -0.34 1.92 -0.81 -3.72 0.00 0.00 177.10 174.39 1y3k n PRO 49 N 4.22 1.73 0.14 0.43 -0.04 -1.26 -3.73 135.00 136.49 1y3k n PRO 49 Ca 0.04 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1y3k n PRO 49 Cb 0.38 -3.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.24 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 12.98 2.21 -0.10 0.55 0.00 -1.26 -4.87 120.51 130.03 1y3k n ALA 50 Ca 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 1y3k n ALA 50 Cb 0.46 0.00 -0.05 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 -3.31 1.49 0.00 0.00 0.31 -1.24 -4.66 118.33 110.91 1y3k n VAL 51 Ca 0.00 0.04 0.02 0.00 -0.01 0.00 0.00 64.34 64.39 1y3k n VAL 51 Cb 0.00 -2.24 0.35 0.00 -0.91 0.00 0.00 33.84 31.04 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 1.16 -2.87 2.52 2.10 -1.68 -3.49 117.51 114.25 1y3k h ILE 52 Ca -0.17 -0.53 0.00 0.00 1.08 0.00 0.00 64.86 65.24 1y3k h ILE 52 Cb 1.04 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 1y3k h ILE 52 CO -0.10 0.20 -0.51 0.00 -1.08 0.00 0.00 178.15 176.66 1y3k n GLN 53 N -4.36 -2.94 -0.24 2.19 1.13 -1.26 -4.22 117.38 107.68 1y3k n GLN 53 Ca 0.02 2.32 0.04 0.00 -1.94 0.00 0.00 57.00 57.44 1y3k n GLN 53 Cb 0.16 -2.33 0.15 0.00 0.11 0.00 0.00 30.24 28.33 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 2.28 0.18 -0.02 -1.09 0.13 -1.94 0.50 132.00 132.04 1y3k h PRO 54 Ca 0.00 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1y3k h PRO 54 Cb 0.00 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 1y3k h PRO 54 CO 0.00 0.12 -0.17 -1.00 -0.23 0.00 0.00 178.00 176.72 1y3k h PRO 55 N 0.18 0.03 -0.23 1.56 0.13 -2.01 -3.03 132.00 128.64 1y3k h PRO 55 Ca 0.39 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 65.31 1y3k h PRO 55 Cb 0.66 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1y3k h PRO 55 CO -0.55 0.20 -0.64 0.52 -0.23 0.00 0.00 178.00 177.30 1y3k h MET 56 N 0.03 0.84 -0.70 0.86 2.86 -1.12 -3.00 114.93 114.70 1y3k h MET 56 Ca 0.01 -0.59 0.09 0.00 -2.06 0.00 0.00 59.70 57.14 1y3k h MET 56 Cb 0.32 0.09 -0.11 0.00 0.06 0.00 0.00 31.60 31.96 1y3k h MET 56 CO 0.02 1.21 -0.50 0.82 1.06 0.00 0.00 176.91 179.52 1y3k h ILE 57 N 0.61 0.03 -0.50 -1.22 2.04 -1.27 0.11 117.51 117.31 1y3k h ILE 57 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1y3k h ILE 57 Cb 1.26 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1y3k h ILE 57 CO 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 178.15 177.86 1y3k h ALA 58 N 0.51 -0.55 -0.46 1.87 0.00 -1.58 -1.47 119.26 117.59 1y3k h ALA 58 Ca 0.17 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1y3k h ALA 58 Cb 0.53 1.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 1y3k h ALA 58 CO -0.77 -0.79 -0.18 0.93 0.00 0.00 0.00 179.25 178.44 1y3k h GLU 59 N -0.16 -0.07 -0.92 0.00 3.07 -1.11 0.28 114.58 115.66 1y3k h GLU 59 Ca 0.08 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 59.21 1y3k h GLU 59 Cb 0.38 0.02 -0.15 0.00 -0.84 0.00 0.00 28.75 28.16 1y3k h GLU 59 CO -0.55 -0.05 0.33 0.35 -1.40 0.00 0.00 179.01 177.69 1y3k h PHE 60 N -0.07 0.52 -0.22 4.33 3.04 -0.39 0.11 116.94 124.26 1y3k h PHE 60 Ca 0.22 0.05 -0.20 0.00 3.98 0.00 0.00 57.97 62.02 1y3k h PHE 60 Cb 0.42 -0.08 0.01 0.00 2.56 0.00 0.00 35.95 38.85 1y3k h PHE 60 CO -0.45 -0.21 -0.64 0.82 -2.02 0.00 0.00 178.31 175.81 1y3k h ILE 61 N 0.23 1.28 0.00 1.41 2.04 0.45 -3.16 117.51 119.77 1y3k h ILE 61 Ca 0.61 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1y3k h ILE 61 Cb 1.30 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1y3k h ILE 61 CO -0.65 0.59 0.00 0.54 0.00 0.00 0.00 178.15 178.62 1y3k n ARG 62 N -4.00 0.08 -0.45 2.37 1.74 0.50 -2.80 116.66 114.10 1y3k n ARG 62 Ca -0.06 0.26 0.37 0.00 -0.77 0.00 0.00 57.85 57.65 1y3k n ARG 62 Cb 0.68 -1.50 0.66 0.00 -1.02 0.00 0.00 32.46 31.28 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 0.10 0.00 5.56 -0.00 -1.22 0.25 114.58 119.27 1y3k h GLU 63 Ca 0.00 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.36 59.24 1y3k h GLU 63 Cb 0.11 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.82 1y3k h GLU 63 CO 0.00 0.07 -0.62 -0.07 -0.00 0.00 0.00 179.01 178.39 1y3k h LEU 64 N 0.10 0.00 0.00 3.06 3.38 -1.80 -3.48 115.31 116.58 1y3k h LEU 64 Ca 0.79 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.76 1y3k h LEU 64 Cb 2.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.32 1y3k h LEU 64 CO -0.33 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1y3k n GLY 65 N 1.25 0.95 3.91 0.83 0.00 0.86 -5.10 105.19 107.90 1y3k n GLY 65 Ca 0.01 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 3.50 -1.35 1.61 0.08 -1.26 -5.00 117.98 113.56 1y3k s PHE 66 Ca 0.00 0.62 -0.14 0.00 0.12 0.00 0.00 56.93 57.53 1y3k s PHE 66 Cb 0.00 -2.11 0.09 0.00 -0.57 0.00 0.00 43.02 40.43 1y3k s PHE 66 CO 0.00 0.03 1.94 0.41 -0.10 0.00 0.00 175.22 177.50 1y3k n GLY 67 N -1.54 3.88 3.82 4.36 0.00 -1.26 -4.71 105.19 109.75 1y3k n GLY 67 Ca -0.02 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 2.72 3.07 -0.30 4.61 0.00 -1.26 -4.21 121.76 126.39 1y3k s ALA 68 Ca 0.47 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 1y3k s ALA 68 Cb 0.09 -3.13 0.13 0.00 0.00 0.00 0.00 23.12 20.20 1y3k s ALA 68 CO -0.02 0.15 0.26 -0.08 0.00 0.00 0.00 175.76 176.07 1y3k s THR 69 N -2.12 -0.28 -0.14 0.00 -1.32 -0.86 -5.02 115.64 105.90 1y3k s THR 69 Ca 0.61 -0.67 -0.25 0.00 -1.21 0.00 0.00 61.69 60.17 1y3k s THR 69 Cb -0.10 -0.96 -0.02 0.00 -1.51 0.00 0.00 72.50 69.91 1y3k s THR 69 CO 0.14 -0.58 0.78 0.54 -2.21 0.00 0.00 174.62 173.30 1y3k s VAL 70 N 2.13 4.94 0.12 5.08 0.11 -1.26 -1.84 120.40 129.68 1y3k s VAL 70 Ca 0.10 1.56 0.02 0.00 -2.93 0.00 0.00 61.98 60.74 1y3k s VAL 70 Cb -0.15 -4.10 -0.01 0.00 -1.53 0.00 0.00 36.38 30.59 1y3k s VAL 70 CO -0.29 0.10 0.08 2.30 -3.33 0.00 0.00 175.10 173.96 1y3k n ILE 71 N 4.44 0.00 -3.98 7.04 -5.35 0.69 -4.99 119.36 117.21 1y3k n ILE 71 Ca 0.02 -0.79 -0.12 0.00 -0.27 0.00 0.00 62.75 61.59 1y3k n ILE 71 Cb 0.50 0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 38.73 1y3k n ILE 71 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1y3k s GLU 72 N -2.47 1.93 0.00 6.28 -1.05 -1.26 -1.77 118.70 120.36 1y3k s GLU 72 Ca 0.11 -1.55 0.00 0.00 -0.15 0.00 0.00 54.97 53.38 1y3k s GLU 72 Cb 0.01 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1y3k s GLU 72 CO 0.08 -0.84 0.00 0.09 0.95 0.00 0.00 175.26 175.54 1y3k n ASN 73 N -1.18 0.00 -4.41 0.83 4.13 -1.26 -5.00 115.26 108.37 1y3k n ASN 73 Ca -0.02 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.98 1y3k n ASN 73 Cb 0.61 0.33 -0.09 0.00 -1.54 0.00 0.00 39.78 39.09 1y3k n ASN 73 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1y3k s ILE 74 N -1.76 1.05 0.29 2.41 2.07 -1.26 -5.18 121.20 118.81 1y3k s ILE 74 Ca 0.00 -2.00 0.03 0.00 -1.41 0.00 0.00 60.65 57.27 1y3k s ILE 74 Cb 0.00 -2.53 -0.06 0.00 0.13 0.00 0.00 42.46 40.01 1y3k s ILE 74 CO 0.00 0.00 0.07 -1.61 -1.91 0.00 0.00 174.94 171.49 1y3k s GLU 75 N -3.80 1.52 -0.69 3.50 0.41 -1.26 -4.78 118.70 113.60 1y3k s GLU 75 Ca 0.26 -1.83 -0.07 0.00 -0.41 0.00 0.00 54.97 52.92 1y3k s GLU 75 Cb 0.05 -0.60 -0.11 0.00 -1.78 0.00 0.00 34.13 31.70 1y3k s GLU 75 CO 0.13 -0.22 3.12 0.41 -0.49 0.00 0.00 175.26 178.21 1y3k n GLY 76 N -0.57 3.89 0.00 -1.39 0.00 -1.26 -4.96 105.19 100.90 1y3k n GLY 76 Ca -0.02 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1y3k n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19