#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuu s ALA 2 N 0.00 -0.70 0.00 3.04 0.00 -1.26 -4.94 121.76 117.90 1yuu s ALA 2 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1yuu s ALA 2 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1yuu s ALA 2 CO 0.00 -4.34 0.00 0.00 0.00 0.00 0.00 175.76 171.42 1yuu n ALA 3 N -5.38 0.00 -2.22 0.00 0.00 -1.26 -5.07 120.51 106.58 1yuu n ALA 3 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1yuu n ALA 3 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1yuu n ALA 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1yuu s GLU 4 N -0.02 4.30 -0.30 0.00 2.02 -1.26 -4.96 118.70 118.47 1yuu s GLU 4 Ca 0.00 1.98 -0.29 0.00 0.02 0.00 0.00 54.97 56.68 1yuu s GLU 4 Cb 0.00 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 1yuu s GLU 4 CO 0.00 -0.54 1.50 -1.25 0.02 0.00 0.00 175.26 174.99 1yuu s PRO 5 N 2.13 3.72 0.88 0.39 0.04 -1.26 -5.00 135.00 135.90 1yuu s PRO 5 Ca 0.64 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1yuu s PRO 5 Cb -0.32 -4.01 0.12 0.00 0.04 0.00 0.00 34.50 30.33 1yuu s PRO 5 CO 0.27 -1.38 1.09 -0.51 0.04 0.00 0.00 177.00 176.51 1yuu s LEU 6 N 5.24 2.36 0.72 -3.56 1.43 -1.26 -5.04 118.68 118.57 1yuu s LEU 6 Ca 0.66 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 1yuu s LEU 6 Cb -0.19 -4.01 0.02 0.00 0.03 0.00 0.00 46.19 42.03 1yuu s LEU 6 CO 0.29 -2.60 1.07 0.28 0.23 0.00 0.00 176.35 175.62 1yuu s THR 7 N -2.91 3.76 0.10 5.49 -1.32 -1.26 -4.78 115.64 114.73 1yuu s THR 7 Ca 0.63 0.57 -0.26 0.00 -1.21 0.00 0.00 61.69 61.42 1yuu s THR 7 Cb -0.18 -3.39 -0.10 0.00 -1.51 0.00 0.00 72.50 67.31 1yuu s THR 7 CO 0.57 -0.74 1.66 -0.08 -2.21 0.00 0.00 174.62 173.82 1yuu h GLU 8 N -0.76 -0.37 -0.01 7.08 4.81 -1.98 0.86 114.58 124.21 1yuu h GLU 8 Ca -0.45 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1yuu h GLU 8 Cb 1.23 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1yuu h GLU 8 CO 0.60 -0.24 0.00 -0.07 -0.73 0.00 0.00 179.01 178.57 1yuu h LEU 9 N -0.38 0.01 -0.19 1.64 3.38 -1.98 0.13 115.31 117.92 1yuu h LEU 9 Ca 0.02 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1yuu h LEU 9 Cb 0.39 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1yuu h LEU 9 CO -0.09 0.15 -0.30 -0.33 0.09 0.00 0.00 178.44 177.96 1yuu h GLU 10 N -0.12 -0.33 -0.25 1.13 5.08 -1.88 0.76 114.58 118.97 1yuu h GLU 10 Ca 0.00 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1yuu h GLU 10 Cb 0.14 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 1yuu h GLU 10 CO -0.00 -0.22 -0.39 1.49 -1.00 0.00 0.00 179.01 178.89 1yuu h GLU 11 N -0.34 -0.38 -0.53 2.33 4.57 -0.76 0.52 114.58 119.99 1yuu h GLU 11 Ca 0.12 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.41 1yuu h GLU 11 Cb 0.52 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.13 1yuu h GLU 11 CO -0.38 -0.25 0.13 1.03 -1.18 0.00 0.00 179.01 178.36 1yuu h SER 12 N -0.39 0.06 0.02 1.04 0.87 0.01 -0.13 113.55 115.03 1yuu h SER 12 Ca 0.11 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.62 1yuu h SER 12 Cb 0.59 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1yuu h SER 12 CO -0.46 0.05 -0.45 0.16 -0.53 0.00 0.00 176.83 175.60 1yuu h ILE 13 N 0.28 1.31 0.14 2.23 -0.00 -0.48 -3.07 117.51 117.91 1yuu h ILE 13 Ca 0.27 -1.65 -0.00 0.00 -0.00 0.00 0.00 64.86 63.48 1yuu h ILE 13 Cb 0.35 1.65 -0.01 0.00 -0.00 0.00 0.00 36.82 38.82 1yuu h ILE 13 CO -0.33 0.51 -0.10 -0.08 -0.00 0.00 0.00 178.15 178.16 1yuu h GLU 14 N 0.42 -0.23 -0.97 0.16 4.22 0.35 -0.74 114.58 117.78 1yuu h GLU 14 Ca 0.03 0.02 0.15 0.00 0.08 0.00 0.00 59.36 59.64 1yuu h GLU 14 Cb 0.96 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.17 1yuu h GLU 14 CO 0.08 -0.16 0.61 0.00 -2.18 0.00 0.00 179.01 177.37 1yuu h THR 15 N -0.24 0.82 -0.18 0.32 1.03 -1.01 0.15 112.91 113.79 1yuu h THR 15 Ca -0.01 -0.28 -0.21 0.00 -0.01 0.00 0.00 66.41 65.90 1yuu h THR 15 Cb 0.21 -0.07 0.01 0.00 -1.07 0.00 0.00 68.15 67.23 1yuu h THR 15 CO -0.00 0.15 -0.72 -0.37 -0.01 0.00 0.00 175.52 174.56 1yuu h VAL 16 N 0.81 1.29 -0.45 0.00 -1.51 -1.41 -2.52 116.25 112.46 1yuu h VAL 16 Ca 0.51 -1.93 0.06 0.00 -1.23 0.00 0.00 66.70 64.11 1yuu h VAL 16 Cb 0.72 1.91 -0.06 0.00 -2.13 0.00 0.00 31.29 31.73 1yuu h VAL 16 CO -0.28 0.61 0.13 0.58 -1.23 0.00 0.00 177.57 177.38 1yuu h VAL 17 N 0.54 0.81 -0.13 7.19 2.07 0.72 0.76 116.25 128.22 1yuu h VAL 17 Ca -0.04 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1yuu h VAL 17 Cb 1.34 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1yuu h VAL 17 CO 0.15 0.05 0.06 0.00 0.02 0.00 0.00 177.57 177.85 1yuu h THR 18 N 0.28 1.11 -0.39 2.57 1.03 -0.86 0.16 112.91 116.81 1yuu h THR 18 Ca 0.21 -0.31 0.08 0.00 -0.01 0.00 0.00 66.41 66.38 1yuu h THR 18 Cb 0.24 1.09 -0.09 0.00 -1.07 0.00 0.00 68.15 68.32 1yuu h THR 18 CO -0.25 0.10 -0.22 0.74 -0.01 0.00 0.00 175.52 175.88 1yuu h THR 19 N 0.09 0.38 0.10 0.00 2.02 -1.11 0.37 112.91 114.76 1yuu h THR 19 Ca 0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1yuu h THR 19 Cb 0.10 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 1yuu h THR 19 CO -0.01 0.00 -0.54 0.15 0.37 0.00 0.00 175.52 175.50 1yuu h PHE 20 N -0.15 -1.56 -0.43 3.16 3.57 -0.53 -2.01 116.94 118.99 1yuu h PHE 20 Ca 0.19 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1yuu h PHE 20 Cb 0.45 0.67 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1yuu h PHE 20 CO -0.45 -0.60 0.23 0.35 -2.23 0.00 0.00 178.31 175.61 1yuu h PHE 21 N -0.75 0.60 0.00 0.41 3.57 -0.13 0.40 116.94 121.04 1yuu h PHE 21 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1yuu h PHE 21 Cb 0.76 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1yuu h PHE 21 CO -0.47 0.47 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 1yuu h THR 22 N 0.56 0.00 0.14 4.41 1.03 -0.91 -0.75 112.91 117.39 1yuu h THR 22 Ca 0.15 -0.24 -0.22 0.00 -0.01 0.00 0.00 66.41 66.09 1yuu h THR 22 Cb 0.08 1.19 0.02 0.00 -1.07 0.00 0.00 68.15 68.36 1yuu h THR 22 CO -0.02 0.00 -1.00 -0.26 -0.01 0.00 0.00 175.52 174.22 1yuu h PHE 23 N 0.00 0.54 -0.51 0.00 0.04 -0.31 -3.40 116.94 113.30 1yuu h PHE 23 Ca 0.00 -0.40 0.08 0.00 2.80 0.00 0.00 57.97 60.45 1yuu h PHE 23 Cb 0.25 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1yuu h PHE 23 CO 0.00 1.39 0.34 0.00 -0.60 0.00 0.00 178.31 179.44 1yuu h ALA 24 N 0.05 2.00 -0.41 2.45 0.00 0.12 0.43 119.26 123.89 1yuu h ALA 24 Ca -0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1yuu h ALA 24 Cb 1.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1yuu h ALA 24 CO 0.13 -0.10 0.12 0.07 0.00 0.00 0.00 179.25 179.47 1yuu h ARG 25 N 0.37 0.61 -0.48 0.00 0.11 -1.67 -3.35 114.38 109.96 1yuu h ARG 25 Ca 0.23 -0.10 0.04 0.00 0.10 0.00 0.00 59.98 60.26 1yuu h ARG 25 Cb 0.43 -0.10 -0.06 0.00 1.11 0.00 0.00 29.97 31.34 1yuu h ARG 25 CO -0.06 0.54 -0.31 0.37 0.10 0.00 0.00 179.97 180.62 1yuu h GLN 26 N 0.60 -0.03 -3.47 0.08 5.75 -1.14 -2.54 115.11 114.36 1yuu h GLN 26 Ca 0.14 0.00 -0.75 0.00 -0.15 0.00 0.00 58.65 57.90 1yuu h GLN 26 Cb 0.20 0.01 -0.32 0.00 1.07 0.00 0.00 27.48 28.44 1yuu h GLN 26 CO -0.01 -0.02 0.09 -1.21 -2.65 0.00 0.00 178.83 175.04 1yuu s GLU 27 N -4.34 3.58 0.61 1.69 2.02 -1.26 -5.02 118.70 115.98 1yuu s GLU 27 Ca -0.07 -3.13 0.00 0.00 0.02 0.00 0.00 54.97 51.79 1yuu s GLU 27 Cb 0.06 -4.19 0.00 0.00 0.10 0.00 0.00 34.13 30.09 1yuu s GLU 27 CO 0.33 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.77 1yuu n GLY 28 N 2.69 -0.49 2.54 -1.39 0.00 -0.96 -4.71 105.19 102.87 1yuu n GLY 28 Ca 0.21 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 1yuu n GLY 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1yuu n ARG 29 N -1.17 -0.37 -0.99 1.61 0.63 -1.26 -4.38 116.66 110.74 1yuu n ARG 29 Ca 0.00 0.63 -0.26 0.00 -0.92 0.00 0.00 57.85 57.30 1yuu n ARG 29 Cb 0.08 -0.82 -0.05 0.00 0.45 0.00 0.00 32.46 32.12 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1yuu n LYS 30 N 0.90 2.67 0.00 -0.14 2.85 -1.26 -1.91 118.16 121.28 1yuu n LYS 30 Ca -0.01 -1.63 0.00 0.00 -1.05 0.00 0.00 58.31 55.62 1yuu n LYS 30 Cb 0.39 -2.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.29 1yuu n LYS 30 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1yuu n ASP 31 N 3.59 0.00 -4.61 -5.58 -0.08 -1.26 -4.72 116.55 103.90 1yuu n ASP 31 Ca 0.57 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.42 1yuu n ASP 31 Cb 0.30 0.20 -0.03 0.00 2.34 0.00 0.00 41.12 43.93 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1yuu s SER 32 N -1.48 6.72 0.09 1.67 0.01 -0.80 -3.73 113.70 116.17 1yuu s SER 32 Ca 0.00 0.63 -0.25 0.00 1.31 0.00 0.00 55.95 57.64 1yuu s SER 32 Cb 0.00 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 1yuu s SER 32 CO 0.00 -0.98 0.78 -0.76 0.41 0.00 0.00 173.24 172.68 1yuu s LEU 33 N 3.80 4.51 0.87 2.44 1.02 -0.01 -4.76 118.68 126.55 1yuu s LEU 33 Ca 0.42 1.54 -0.13 0.00 0.02 0.00 0.00 54.13 55.98 1yuu s LEU 33 Cb -0.11 -3.27 0.14 0.00 0.02 0.00 0.00 46.19 42.98 1yuu s LEU 33 CO 0.22 0.09 1.23 -0.55 0.02 0.00 0.00 176.35 177.35 1yuu s SER 34 N -0.47 3.81 0.18 2.29 0.15 -1.26 -0.64 113.70 117.76 1yuu s SER 34 Ca 0.38 0.42 -0.12 0.00 0.70 0.00 0.00 55.95 57.33 1yuu s SER 34 Cb -0.22 -0.69 0.09 0.00 -1.71 0.00 0.00 66.02 63.49 1yuu s SER 34 CO 0.24 -2.30 1.77 1.62 1.20 0.00 0.00 173.24 175.77 1yuu h VAL 35 N -1.29 1.21 0.46 4.45 3.04 -1.99 0.12 116.25 122.25 1yuu h VAL 35 Ca -0.44 -0.58 -0.02 0.00 -1.01 0.00 0.00 66.70 64.64 1yuu h VAL 35 Cb 1.28 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 1yuu h VAL 35 CO 0.50 0.24 -0.22 -1.13 -1.01 0.00 0.00 177.57 175.94 1yuu h ASN 36 N 0.83 -0.53 -0.88 3.17 -1.24 -1.96 0.22 115.58 115.19 1yuu h ASN 36 Ca 0.21 -0.08 0.19 0.00 0.71 0.00 0.00 56.30 57.33 1yuu h ASN 36 Cb 0.10 0.14 -0.17 0.00 0.73 0.00 0.00 38.32 39.12 1yuu h ASN 36 CO -0.03 -0.13 -0.16 -0.62 -1.29 0.00 0.00 177.43 175.20 1yuu n GLU 37 N -5.22 -0.08 0.54 6.67 1.02 -1.19 -0.21 120.64 122.17 1yuu n GLU 37 Ca -0.10 1.36 -0.21 0.00 -0.02 0.00 0.00 57.16 58.19 1yuu n GLU 37 Cb 0.30 -2.06 -0.10 0.00 -0.02 0.00 0.00 31.44 29.56 1yuu n GLU 37 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1yuu h PHE 38 N 0.00 -1.27 -0.96 -0.32 3.57 -0.61 -3.17 116.94 114.18 1yuu h PHE 38 Ca 0.45 -0.03 0.15 0.00 3.53 0.00 0.00 57.97 62.07 1yuu h PHE 38 Cb 0.75 0.42 -0.09 0.00 2.79 0.00 0.00 35.95 39.82 1yuu h PHE 38 CO -0.62 -0.79 0.58 -0.22 -2.23 0.00 0.00 178.31 175.03 1yuu h LYS 39 N -1.37 0.80 -1.01 1.11 3.64 0.15 -0.64 116.57 119.25 1yuu h LYS 39 Ca -0.14 -0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.37 1yuu h LYS 39 Cb 1.05 -0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.58 1yuu h LYS 39 CO 0.23 0.53 0.62 0.93 -2.27 0.00 0.00 179.45 179.49 1yuu h GLU 40 N 0.83 0.78 -0.20 1.90 4.39 -0.58 0.79 114.58 122.49 1yuu h GLU 40 Ca 0.52 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 60.11 1yuu h GLU 40 Cb 0.66 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1yuu h GLU 40 CO -0.33 0.52 -0.11 1.25 -1.16 0.00 0.00 179.01 179.18 1yuu h LEU 41 N 0.81 0.43 -1.14 1.33 5.85 -1.09 0.35 115.31 121.86 1yuu h LEU 41 Ca 0.57 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1yuu h LEU 41 Cb 0.83 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1yuu h LEU 41 CO -0.36 0.76 -0.39 -0.37 -0.34 0.00 0.00 178.44 177.74 1yuu h VAL 42 N 0.11 1.09 0.24 1.05 -1.51 -1.33 0.64 116.25 116.54 1yuu h VAL 42 Ca 0.04 -1.43 -0.34 0.00 -1.23 0.00 0.00 66.70 63.75 1yuu h VAL 42 Cb 0.60 1.81 0.03 0.00 -2.13 0.00 0.00 31.29 31.61 1yuu h VAL 42 CO 0.03 0.38 -1.51 0.74 -1.23 0.00 0.00 177.57 175.98 1yuu h THR 43 N 0.00 1.22 0.00 7.19 2.02 -0.72 -3.40 112.91 119.23 1yuu h THR 43 Ca -0.00 -2.65 -0.03 0.00 0.77 0.00 0.00 66.41 64.50 1yuu h THR 43 Cb 0.78 3.00 -0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1yuu h THR 43 CO 0.05 0.81 -0.23 -0.61 0.37 0.00 0.00 175.52 175.92 1yuu h GLN 44 N 0.12 0.00 0.00 6.66 4.15 -0.08 -3.47 115.11 122.49 1yuu h GLN 44 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1yuu h GLN 44 Cb 2.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.83 1yuu h GLN 44 CO 0.25 0.41 0.00 1.04 -1.93 0.00 0.00 178.83 178.61 1yuu n GLN 45 N -4.66 3.60 -4.27 1.69 3.00 0.20 -4.77 117.38 112.16 1yuu n GLN 45 Ca -0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 1yuu n GLN 45 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.42 1yuu n GLN 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1yuu n LEU 46 N 0.00 -0.83 0.07 1.08 4.32 -1.25 -4.63 117.00 115.76 1yuu n LEU 46 Ca 0.00 -1.18 0.05 0.00 -0.02 0.00 0.00 56.01 54.86 1yuu n LEU 46 Cb 0.00 -1.49 0.49 0.00 -1.62 0.00 0.00 43.42 40.80 1yuu n LEU 46 CO 0.00 0.26 1.14 1.55 -1.22 0.00 0.00 177.39 179.12 1yuu h PRO 47 N -1.20 0.38 0.00 3.23 0.13 -1.86 -3.32 132.00 129.36 1yuu h PRO 47 Ca -0.59 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1yuu h PRO 47 Cb 1.30 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1yuu h PRO 47 CO 0.75 0.25 0.00 1.58 -0.23 0.00 0.00 178.00 180.35 1yuu n HIS 48 N -4.49 0.00 0.00 1.56 -0.00 -1.26 -4.90 115.22 106.13 1yuu n HIS 48 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1yuu n HIS 48 Cb 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 1yuu n HIS 48 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1yuu n LEU 49 N -0.22 0.00 -4.53 0.27 4.32 -1.25 -4.62 117.00 110.97 1yuu n LEU 49 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 1yuu n LEU 49 Cb 0.06 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 1yuu n LEU 49 CO 0.00 0.00 1.43 -0.76 -1.22 0.00 0.00 177.39 176.84 1yuu s LEU 50 N 0.00 3.99 0.00 2.23 1.43 -1.26 -4.89 118.68 120.18 1yuu s LEU 50 Ca 0.00 -1.81 0.00 0.00 -1.03 0.00 0.00 54.13 51.29 1yuu s LEU 50 Cb 0.00 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1yuu s LEU 50 CO 0.00 -1.32 0.13 2.29 0.23 0.00 0.00 176.35 177.68 1yuu n LYS 51 N 8.11 0.24 -0.29 1.70 -0.00 -1.26 -2.99 118.16 123.67 1yuu n LYS 51 Ca 0.33 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.73 1yuu n LYS 51 Cb 0.49 -1.10 0.20 0.00 -0.00 0.00 0.00 35.03 34.62 1yuu n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1yuu n ASP 52 N 0.28 3.05 0.17 -5.58 8.00 -1.26 -4.84 116.55 116.37 1yuu n ASP 52 Ca 0.00 -3.11 0.08 0.00 0.71 0.00 0.00 54.79 52.47 1yuu n ASP 52 Cb 0.05 -0.50 0.42 0.00 -0.02 0.00 0.00 41.12 41.08 1yuu n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1yuu h VAL 53 N 0.90 0.00 -0.03 2.53 -1.51 -1.92 -0.53 116.25 115.69 1yuu h VAL 53 Ca 0.01 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.50 1yuu h VAL 53 Cb 1.23 0.35 -0.03 0.00 -2.13 0.00 0.00 31.29 30.71 1yuu h VAL 53 CO 0.12 0.00 -0.13 1.23 -1.23 0.00 0.00 177.57 177.56 1yuu h GLY 54 N 0.00 -0.14 -5.35 5.19 0.00 -1.92 -3.27 103.07 97.59 1yuu h GLY 54 Ca 0.00 0.16 -0.71 0.00 0.00 0.00 0.00 47.33 46.78 1yuu h GLY 54 CO 0.00 -0.13 3.15 -1.26 0.00 0.00 0.00 176.54 178.29 1yuu n SER 55 N -5.27 8.26 0.08 0.19 2.88 -0.21 -4.55 113.62 115.01 1yuu n SER 55 Ca -0.05 -2.85 -0.16 0.00 -1.33 0.00 0.00 58.87 54.48 1yuu n SER 55 Cb 0.19 -1.47 -0.09 0.00 -0.75 0.00 0.00 64.21 62.09 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1yuu h LEU 56 N 6.43 0.58 -0.35 2.46 7.12 -1.79 -3.08 115.31 126.69 1yuu h LEU 56 Ca 0.78 -0.52 0.01 0.00 0.13 0.00 0.00 57.88 58.28 1yuu h LEU 56 Cb 0.31 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.23 1yuu h LEU 56 CO 1.65 1.35 0.22 -2.24 -0.13 0.00 0.00 178.44 179.28 1yuu h ASP 57 N 0.20 0.37 -0.54 1.25 2.03 -1.92 0.27 116.42 118.07 1yuu h ASP 57 Ca -0.12 -0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.25 1yuu h ASP 57 Cb 1.76 -0.08 -0.10 0.00 -0.83 0.00 0.00 39.33 40.07 1yuu h ASP 57 CO 0.19 0.26 -0.49 -0.08 -1.03 0.00 0.00 179.24 178.10 1yuu h GLU 58 N 0.44 -0.26 -0.48 4.15 4.81 -1.94 0.29 114.58 121.59 1yuu h GLU 58 Ca 0.13 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1yuu h GLU 58 Cb -0.03 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1yuu h GLU 58 CO -0.04 -0.18 0.31 0.87 -0.73 0.00 0.00 179.01 179.24 1yuu h LYS 59 N -0.27 0.64 -0.15 1.92 1.79 -1.26 -0.17 116.57 119.07 1yuu h LYS 59 Ca 0.14 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.62 1yuu h LYS 59 Cb 0.57 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 1yuu h LYS 59 CO -0.67 0.44 -0.32 1.98 -1.08 0.00 0.00 179.45 179.80 1yuu h MET 60 N 0.65 -0.37 -0.83 3.15 4.05 0.34 0.27 114.93 122.20 1yuu h MET 60 Ca 0.18 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.68 1yuu h MET 60 Cb -0.05 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.78 1yuu h MET 60 CO -0.04 -0.25 0.54 0.87 0.23 0.00 0.00 176.91 178.27 1yuu h LYS 61 N -0.38 0.89 -0.19 0.39 1.57 -0.70 0.16 116.57 118.31 1yuu h LYS 61 Ca 0.10 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1yuu h LYS 61 Cb 0.54 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1yuu h LYS 61 CO -0.36 0.59 0.08 0.77 -0.57 0.00 0.00 179.45 179.96 1yuu h SER 62 N 0.92 0.25 0.66 0.86 0.02 0.95 -3.31 113.55 113.90 1yuu h SER 62 Ca 0.35 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1yuu h SER 62 Cb 0.21 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.69 1yuu h SER 62 CO -0.13 0.33 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.51 1yuu h LEU 63 N 0.16 -0.75 -7.00 5.07 4.07 0.14 -3.39 115.31 113.61 1yuu h LEU 63 Ca 0.06 0.03 -0.62 0.00 0.08 0.00 0.00 57.88 57.43 1yuu h LEU 63 Cb 0.15 0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 1yuu h LEU 63 CO -0.01 -0.37 2.31 -0.67 -1.08 0.00 0.00 178.44 178.62 1yuu n ASP 64 N -5.30 3.72 -0.37 -0.43 2.03 0.49 -4.81 116.55 111.90 1yuu n ASP 64 Ca -0.11 -2.80 0.28 0.00 0.52 0.00 0.00 54.79 52.68 1yuu n ASP 64 Cb 0.35 -1.58 0.55 0.00 -0.72 0.00 0.00 41.12 39.72 1yuu n ASP 64 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yuu h VAL 65 N 4.95 0.33 -0.55 5.18 -1.51 -1.76 0.82 116.25 123.71 1yuu h VAL 65 Ca 0.44 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 1yuu h VAL 65 Cb 0.77 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1yuu h VAL 65 CO 1.66 0.05 0.00 -0.46 -1.23 0.00 0.00 177.57 177.59 1yuu n ASN 66 N -4.76 3.58 -3.83 4.19 6.94 -1.26 -5.01 115.26 115.12 1yuu n ASN 66 Ca 0.31 -1.98 -0.36 0.00 -0.02 0.00 0.00 54.58 52.53 1yuu n ASN 66 Cb 1.09 -0.36 0.03 0.00 -2.36 0.00 0.00 39.78 38.18 1yuu n ASN 66 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1yuu n GLN 67 N 1.39 -1.06 0.00 -3.83 7.27 0.28 -4.91 117.38 116.52 1yuu n GLN 67 Ca 0.20 0.33 0.06 0.00 0.07 0.00 0.00 57.00 57.66 1yuu n GLN 67 Cb 0.57 -3.66 -0.06 0.00 2.41 0.00 0.00 30.24 29.50 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1yuu n ASP 68 N -2.54 0.63 -1.81 1.69 5.68 -1.26 -4.99 116.55 113.96 1yuu n ASP 68 Ca -0.12 -0.82 -0.18 0.00 -0.50 0.00 0.00 54.79 53.17 1yuu n ASP 68 Cb 0.59 0.96 -0.04 0.00 -1.14 0.00 0.00 41.12 41.49 1yuu n ASP 68 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1yuu n SER 69 N -1.20 -5.29 -3.96 -1.12 7.64 -1.26 -4.98 113.62 103.45 1yuu n SER 69 Ca 0.03 0.19 -0.31 0.00 1.01 0.00 0.00 58.87 59.78 1yuu n SER 69 Cb 0.19 -4.38 -0.15 0.00 -1.01 0.00 0.00 64.21 58.86 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1yuu s GLU 70 N -4.33 1.36 -1.24 1.43 2.02 -1.26 -4.25 118.70 112.42 1yuu s GLU 70 Ca 0.00 -1.64 -0.15 0.00 0.02 0.00 0.00 54.97 53.20 1yuu s GLU 70 Cb 0.00 -2.91 0.14 0.00 0.10 0.00 0.00 34.13 31.46 1yuu s GLU 70 CO 0.00 -0.92 1.54 1.28 0.02 0.00 0.00 175.26 177.18 1yuu n LEU 71 N 4.40 5.14 -4.64 1.80 7.99 0.19 -4.88 117.00 127.00 1yuu n LEU 71 Ca 0.01 -4.28 -0.29 0.00 -0.01 0.00 0.00 56.01 51.44 1yuu n LEU 71 Cb 0.42 -1.66 0.20 0.00 -0.11 0.00 0.00 43.42 42.27 1yuu n LEU 71 CO 0.19 0.54 0.62 -1.59 -1.51 0.00 0.00 177.39 175.65 1yuu s LYS 72 N 2.43 -0.14 0.13 3.23 -2.85 -1.26 -0.83 119.74 120.45 1yuu s LYS 72 Ca 0.47 0.37 -0.25 0.00 -1.00 0.00 0.00 55.97 55.56 1yuu s LYS 72 Cb -0.01 -1.68 -0.06 0.00 -2.06 0.00 0.00 37.83 34.03 1yuu s LYS 72 CO 0.03 -3.08 1.32 0.34 0.10 0.00 0.00 175.35 174.06 1yuu n PHE 73 N -4.40 -0.35 -0.09 1.78 -0.00 -1.24 -0.04 117.46 113.12 1yuu n PHE 73 Ca 0.07 0.99 -0.12 0.00 -0.00 0.00 0.00 57.45 58.39 1yuu n PHE 73 Cb 0.58 -0.56 -0.04 0.00 -0.00 0.00 0.00 39.48 39.46 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 1yuu h ASN 74 N 0.00 0.57 -0.49 -2.13 -0.00 -1.94 0.81 115.58 112.40 1yuu h ASN 74 Ca 0.13 -0.41 0.07 0.00 -0.00 0.00 0.00 56.30 56.08 1yuu h ASN 74 Cb 0.33 -0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 38.46 1yuu h ASN 74 CO -0.75 0.85 0.33 -0.33 -0.00 0.00 0.00 177.43 177.54 1yuu h GLU 75 N 0.28 0.37 0.03 6.67 5.08 -1.22 -1.22 114.58 124.58 1yuu h GLU 75 Ca 0.06 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1yuu h GLU 75 Cb 0.64 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1yuu h GLU 75 CO 0.04 0.24 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.13 1yuu h TYR 76 N 0.38 0.18 -1.04 4.33 3.20 -0.22 -3.29 116.97 120.51 1yuu h TYR 76 Ca 0.22 -0.12 0.30 0.00 3.14 0.00 0.00 58.73 62.26 1yuu h TYR 76 Cb 0.37 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1yuu h TYR 76 CO -0.00 1.04 0.80 2.35 -1.64 0.00 0.00 178.16 180.71 1yuu h TRP 77 N -0.72 0.00 -0.86 -3.82 2.91 -0.27 0.20 115.95 113.39 1yuu h TRP 77 Ca -0.04 0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.09 1yuu h TRP 77 Cb 1.13 0.00 -0.12 0.00 -0.51 0.00 0.00 29.16 29.66 1yuu h TRP 77 CO 0.23 0.00 -0.41 0.54 -1.03 0.00 0.00 178.44 177.77 1yuu n ARG 78 N -4.06 -0.28 -0.29 2.65 5.12 -0.51 -0.33 116.66 118.96 1yuu n ARG 78 Ca 0.22 1.32 0.10 0.00 -1.93 0.00 0.00 57.85 57.56 1yuu n ARG 78 Cb 1.15 -1.94 0.26 0.00 -1.16 0.00 0.00 32.46 30.77 1yuu n ARG 78 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1yuu h LEU 79 N 0.00 0.30 0.00 0.55 5.85 -0.80 0.62 115.31 121.83 1yuu h LEU 79 Ca 0.23 0.14 -0.21 0.00 0.84 0.00 0.00 57.88 58.88 1yuu h LEU 79 Cb 0.45 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1yuu h LEU 79 CO -0.84 0.03 -1.01 0.40 -0.34 0.00 0.00 178.44 176.68 1yuu h ILE 80 N 0.41 1.60 -0.10 4.05 5.03 -0.80 0.36 117.51 128.06 1yuu h ILE 80 Ca 0.51 -3.29 0.03 0.00 -0.12 0.00 0.00 64.86 61.99 1yuu h ILE 80 Cb 0.90 2.79 -0.03 0.00 -3.03 0.00 0.00 36.82 37.45 1yuu h ILE 80 CO -0.49 0.91 -0.10 1.23 -0.68 0.00 0.00 178.15 179.02 1yuu h GLY 81 N 3.07 -0.03 1.63 5.37 0.00 -0.06 -1.56 103.07 111.49 1yuu h GLY 81 Ca -0.03 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1yuu h GLY 81 CO 0.12 -0.11 0.03 0.83 0.00 0.00 0.00 176.54 177.41 1yuu h GLU 82 N -0.12 0.47 0.40 4.80 4.39 -0.15 0.59 114.58 124.96 1yuu h GLU 82 Ca 0.07 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1yuu h GLU 82 Cb 0.23 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1yuu h GLU 82 CO -0.17 0.48 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.80 1yuu h LEU 83 N 0.46 -0.75 -0.50 1.33 4.07 0.16 0.57 115.31 120.65 1yuu h LEU 83 Ca 0.10 0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.21 1yuu h LEU 83 Cb 0.26 0.24 -0.08 0.00 1.08 0.00 0.00 40.66 42.16 1yuu h LEU 83 CO 0.00 -0.44 0.03 0.00 -1.08 0.00 0.00 178.44 176.95 1yuu h ALA 84 N -0.16 0.50 -0.70 1.53 0.00 -0.77 0.23 119.26 119.89 1yuu h ALA 84 Ca -0.04 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1yuu h ALA 84 Cb 0.58 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1yuu h ALA 84 CO 0.01 -0.37 0.47 -0.22 0.00 0.00 0.00 179.25 179.14 1yuu h LYS 85 N 0.15 0.48 0.00 0.00 3.64 -0.50 0.14 116.57 120.48 1yuu h LYS 85 Ca 0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1yuu h LYS 85 Cb 0.38 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1yuu h LYS 85 CO -0.40 0.32 0.00 0.39 -2.27 0.00 0.00 179.45 177.49 1yuu n GLU 86 N -4.48 0.23 0.01 1.90 -0.58 0.20 0.01 120.64 117.92 1yuu n GLU 86 Ca 0.12 0.21 -0.02 0.00 -0.42 0.00 0.00 57.16 57.05 1yuu n GLU 86 Cb 0.41 -1.78 -0.10 0.00 -0.57 0.00 0.00 31.44 29.40 1yuu n GLU 86 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1yuu n ILE 87 N -2.17 1.24 0.09 -3.67 5.41 -0.35 -2.78 119.36 117.11 1yuu n ILE 87 Ca 0.05 -0.72 -0.04 0.00 1.00 0.00 0.00 62.75 63.05 1yuu n ILE 87 Cb 0.40 -0.74 -0.02 0.00 -0.71 0.00 0.00 39.64 38.57 1yuu n ILE 87 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1yuu h ARG 88 N 0.00 -0.24 0.00 0.38 1.12 -0.33 -3.44 114.38 111.87 1yuu h ARG 88 Ca -0.22 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.66 1yuu h ARG 88 Cb 1.70 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.72 1yuu h ARG 88 CO 0.05 -0.16 0.01 0.36 -3.11 0.00 0.00 179.97 177.12 1yuu n LYS 89 N -3.42 0.18 -0.24 0.20 2.85 0.10 -4.47 118.16 113.36 1yuu n LYS 89 Ca -0.03 -0.07 0.05 0.00 -1.05 0.00 0.00 58.31 57.21 1yuu n LYS 89 Cb 0.10 -0.03 0.16 0.00 -0.65 0.00 0.00 35.03 34.61 1yuu n LYS 89 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1yuu h LYS 90 N 0.00 0.25 0.00 -1.58 1.57 -1.64 -3.24 116.57 111.93 1yuu h LYS 90 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1yuu h LYS 90 Cb 0.04 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1yuu h LYS 90 CO 0.01 0.17 0.00 1.17 -0.57 0.00 0.00 179.45 180.23 1yuu n LYS 91 N -5.16 0.00 -4.13 3.15 3.00 -1.26 -5.12 118.16 108.64 1yuu n LYS 91 Ca 0.13 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.19 1yuu n LYS 91 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.39 1yuu n LYS 91 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1yuu s ASP 92 N 0.00 4.44 0.00 3.14 2.15 -1.26 -4.64 116.67 120.50 1yuu s ASP 92 Ca 0.00 -1.11 0.00 0.00 0.43 0.00 0.00 52.55 51.87 1yuu s ASP 92 Cb 0.00 -0.38 0.00 0.00 -0.30 0.00 0.00 42.92 42.24 1yuu s ASP 92 CO 0.00 -0.60 0.00 -0.11 -0.17 0.00 0.00 175.17 174.29 1yuu n LEU 93 N -1.28 0.00 -3.68 -1.34 7.94 -1.26 -4.88 117.00 112.49 1yuu n LEU 93 Ca -0.02 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.76 1yuu n LEU 93 Cb 0.65 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.47 1yuu n LEU 93 CO 0.45 0.00 -0.10 -0.54 -1.11 0.00 0.00 177.39 176.10 1yuu s LYS 94 N 0.00 0.20 0.01 1.96 1.02 -1.26 -5.06 119.74 116.62 1yuu s LYS 94 Ca 0.00 0.73 -0.19 0.00 0.02 0.00 0.00 55.97 56.53 1yuu s LYS 94 Cb 0.00 -0.01 -0.26 0.00 -0.52 0.00 0.00 37.83 37.04 1yuu s LYS 94 CO 0.00 -0.24 1.08 -0.84 -0.92 0.00 0.00 175.35 174.43 1yuu h ILE 95 N 6.10 1.40 -3.82 2.17 3.07 -2.00 -3.48 117.51 120.94 1yuu h ILE 95 Ca -0.23 -2.24 -0.20 0.00 1.55 0.00 0.00 64.86 63.73 1yuu h ILE 95 Cb 1.13 2.69 0.08 0.00 -0.27 0.00 0.00 36.82 40.45 1yuu h ILE 95 CO 0.21 0.66 -0.40 -1.14 -1.05 0.00 0.00 178.15 176.43 1yuu n ARG 96 N -4.09 -4.11 -3.65 0.16 0.63 -1.26 -5.03 116.66 99.32 1yuu n ARG 96 Ca -0.12 0.46 -0.02 0.00 -0.92 0.00 0.00 57.85 57.26 1yuu n ARG 96 Cb 0.78 -4.37 -0.07 0.00 0.45 0.00 0.00 32.46 29.25 1yuu n ARG 96 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1yuu s LYS 97 N -5.32 0.09 0.00 -0.14 2.36 -1.26 -5.28 119.74 110.19 1yuu s LYS 97 Ca 0.19 0.13 0.00 0.00 -2.55 0.00 0.00 55.97 53.74 1yuu s LYS 97 Cb -0.08 0.04 0.00 0.00 -1.05 0.00 0.00 37.83 36.73 1yuu s LYS 97 CO 0.40 -0.01 0.30 0.36 1.55 0.00 0.00 175.35 177.95