#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 -0.12 0.00 3.04 0.00 -1.26 -4.94 121.76 118.48 1yuu s ALA 2 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1yuu s ALA 2 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1yuu s ALA 2 CO 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 175.76 171.74 1yuu n ALA 3 N -5.13 0.00 -2.55 0.00 0.00 -1.26 -5.10 120.51 106.48 1yuu n ALA 3 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 1yuu n ALA 3 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 1yuu n ALA 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1yuu s GLU 4 N -0.04 3.62 0.46 0.00 -1.05 -1.26 -5.07 118.70 115.36 1yuu s GLU 4 Ca 0.00 -0.31 -0.22 0.00 -0.15 0.00 0.00 54.97 54.29 1yuu s GLU 4 Cb 0.00 -3.79 -0.07 0.00 -0.44 0.00 0.00 34.13 29.82 1yuu s GLU 4 CO 0.00 -0.54 1.14 -1.25 0.95 0.00 0.00 175.26 175.56 1yuu s PRO 5 N 2.13 3.75 0.47 -4.83 0.04 -1.26 -5.05 135.00 130.25 1yuu s PRO 5 Ca 0.14 1.71 0.08 0.00 0.04 0.00 0.00 61.00 62.97 1yuu s PRO 5 Cb -0.16 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 32.05 1yuu s PRO 5 CO 0.12 -0.54 0.61 -0.51 0.04 0.00 0.00 177.00 176.72 1yuu s LEU 6 N -3.10 3.41 0.79 -3.56 1.43 -1.26 -5.10 118.68 111.29 1yuu s LEU 6 Ca 0.64 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 1yuu s LEU 6 Cb -0.27 -2.20 0.06 0.00 0.03 0.00 0.00 46.19 43.82 1yuu s LEU 6 CO 0.32 -0.95 1.09 0.28 0.23 0.00 0.00 176.35 177.32 1yuu s THR 7 N -2.48 3.29 0.27 5.49 -1.32 -1.26 -4.68 115.64 114.95 1yuu s THR 7 Ca 0.56 0.42 0.01 0.00 -1.21 0.00 0.00 61.69 61.46 1yuu s THR 7 Cb -0.08 -2.97 0.27 0.00 -1.51 0.00 0.00 72.50 68.22 1yuu s THR 7 CO 0.34 -0.55 1.69 -0.33 -2.21 0.00 0.00 174.62 173.56 1yuu h GLU 8 N -1.14 0.35 0.38 7.08 5.08 -1.99 0.13 114.58 124.47 1yuu h GLU 8 Ca -0.45 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1yuu h GLU 8 Cb 1.24 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1yuu h GLU 8 CO 0.54 0.23 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.52 1yuu h LEU 9 N 0.36 -0.43 -0.14 1.33 4.07 -1.99 0.90 115.31 119.41 1yuu h LEU 9 Ca 0.51 -0.08 0.04 0.00 0.08 0.00 0.00 57.88 58.43 1yuu h LEU 9 Cb 0.94 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.72 1yuu h LEU 9 CO -0.53 -0.18 -0.45 -0.33 -1.08 0.00 0.00 178.44 175.87 1yuu h GLU 10 N -0.67 -0.49 -0.45 1.13 5.08 -1.67 0.98 114.58 118.50 1yuu h GLU 10 Ca -0.05 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1yuu h GLU 10 Cb 0.48 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 1yuu h GLU 10 CO 0.09 -0.33 -0.17 0.93 -1.00 0.00 0.00 179.01 178.53 1yuu h GLU 11 N -0.51 -0.07 -0.16 2.33 4.39 -0.71 0.06 114.58 119.91 1yuu h GLU 11 Ca 0.07 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1yuu h GLU 11 Cb 0.64 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1yuu h GLU 11 CO -0.41 -0.05 0.04 0.66 -1.16 0.00 0.00 179.01 178.09 1yuu h SER 12 N -0.08 0.23 0.00 1.42 4.64 -0.16 0.14 113.55 119.76 1yuu h SER 12 Ca 0.22 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1yuu h SER 12 Cb 0.41 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1yuu h SER 12 CO -0.50 0.39 -0.08 0.16 -0.87 0.00 0.00 176.83 175.93 1yuu h ILE 13 N 0.07 1.14 0.51 0.95 -0.00 -0.43 -1.51 117.51 118.24 1yuu h ILE 13 Ca 0.05 -0.58 -0.03 0.00 -0.00 0.00 0.00 64.86 64.30 1yuu h ILE 13 Cb 0.24 1.13 0.01 0.00 -0.00 0.00 0.00 36.82 38.20 1yuu h ILE 13 CO -0.00 0.18 -0.25 -0.08 -0.00 0.00 0.00 178.15 178.00 1yuu h GLU 14 N 0.19 -0.67 -0.86 0.16 4.22 -0.73 -2.76 114.58 114.14 1yuu h GLU 14 Ca 0.04 0.05 0.20 0.00 0.08 0.00 0.00 59.36 59.73 1yuu h GLU 14 Cb 0.27 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 1yuu h GLU 14 CO 0.01 -0.36 0.33 0.00 -2.18 0.00 0.00 179.01 176.82 1yuu h THR 15 N -0.98 0.49 -0.37 0.32 1.03 0.24 0.52 112.91 114.17 1yuu h THR 15 Ca -0.07 -0.13 -0.16 0.00 -0.01 0.00 0.00 66.41 66.04 1yuu h THR 15 Cb 0.61 0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 67.77 1yuu h THR 15 CO 0.12 0.07 -0.39 -0.37 -0.01 0.00 0.00 175.52 174.93 1yuu h VAL 16 N 0.37 1.27 -0.14 0.00 -1.51 -1.43 -1.01 116.25 113.81 1yuu h VAL 16 Ca 0.52 -1.56 -0.01 0.00 -1.23 0.00 0.00 66.70 64.41 1yuu h VAL 16 Cb 0.95 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1yuu h VAL 16 CO -0.52 0.52 0.05 0.58 -1.23 0.00 0.00 177.57 176.97 1yuu h VAL 17 N 0.73 1.17 -0.57 7.19 2.07 0.18 0.15 116.25 127.17 1yuu h VAL 17 Ca 0.06 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1yuu h VAL 17 Cb 0.97 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1yuu h VAL 17 CO 0.09 0.16 0.34 0.00 0.02 0.00 0.00 177.57 178.18 1yuu h THR 18 N 0.06 1.17 -0.56 2.57 1.03 -0.70 0.85 112.91 117.32 1yuu h THR 18 Ca 0.05 -0.38 0.05 0.00 -0.01 0.00 0.00 66.41 66.11 1yuu h THR 18 Cb 0.20 0.40 -0.05 0.00 -1.07 0.00 0.00 68.15 67.63 1yuu h THR 18 CO -0.00 0.17 0.30 0.74 -0.01 0.00 0.00 175.52 176.73 1yuu h THR 19 N 0.77 0.98 0.34 0.00 2.02 -0.95 0.99 112.91 117.06 1yuu h THR 19 Ca 0.20 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1yuu h THR 19 Cb -0.02 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 1yuu h THR 19 CO -0.04 0.11 -0.52 0.15 0.37 0.00 0.00 175.52 175.59 1yuu h PHE 20 N 0.58 -1.47 -0.25 3.16 3.04 -0.28 -2.41 116.94 119.32 1yuu h PHE 20 Ca 0.25 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.24 1yuu h PHE 20 Cb 0.13 0.60 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 1yuu h PHE 20 CO -0.09 -0.65 0.12 0.74 -2.02 0.00 0.00 178.31 176.42 1yuu h PHE 21 N -0.91 0.22 0.00 0.41 0.04 -0.24 0.28 116.94 116.75 1yuu h PHE 21 Ca -0.04 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1yuu h PHE 21 Cb 0.83 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 1yuu h PHE 21 CO -0.34 0.12 -0.05 0.00 -0.60 0.00 0.00 178.31 177.44 1yuu h THR 22 N 0.26 0.35 0.21 -1.55 1.03 -0.83 0.04 112.91 112.41 1yuu h THR 22 Ca 0.10 -0.30 -0.27 0.00 -0.01 0.00 0.00 66.41 65.93 1yuu h THR 22 Cb 0.03 1.22 0.03 0.00 -1.07 0.00 0.00 68.15 68.37 1yuu h THR 22 CO -0.08 0.05 -1.19 -0.26 -0.01 0.00 0.00 175.52 174.04 1yuu h PHE 23 N 0.00 0.80 -0.46 0.00 -1.00 -0.74 -3.37 116.94 112.16 1yuu h PHE 23 Ca -0.00 -0.58 0.09 0.00 2.81 0.00 0.00 57.97 60.28 1yuu h PHE 23 Cb 0.21 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1yuu h PHE 23 CO 0.00 1.46 0.31 0.00 -1.61 0.00 0.00 178.31 178.47 1yuu h ALA 24 N 0.12 2.10 0.00 2.45 0.00 0.14 -0.54 119.26 123.53 1yuu h ALA 24 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1yuu h ALA 24 Cb 1.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1yuu h ALA 24 CO 0.22 -0.20 0.00 0.07 0.00 0.00 0.00 179.25 179.34 1yuu h ARG 25 N 0.25 0.00 -0.47 0.00 -0.00 -1.48 -3.08 114.38 109.60 1yuu h ARG 25 Ca 0.21 0.00 0.04 0.00 -0.00 0.00 0.00 59.98 60.23 1yuu h ARG 25 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 30.42 1yuu h ARG 25 CO -0.04 0.00 -0.28 1.04 -0.00 0.00 0.00 179.97 180.69 1yuu n GLN 26 N -2.33 -0.21 -3.17 0.08 3.00 -0.21 -4.84 117.38 109.71 1yuu n GLN 26 Ca 0.04 1.19 -0.10 0.00 -0.01 0.00 0.00 57.00 58.12 1yuu n GLN 26 Cb 0.38 -1.77 -0.04 0.00 0.00 0.00 0.00 30.24 28.82 1yuu n GLN 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1yuu n GLU 27 N -4.05 0.25 -1.08 -1.09 1.02 -1.26 -5.09 120.64 109.34 1yuu n GLU 27 Ca 0.01 -1.78 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 1yuu n GLU 27 Cb 0.12 1.49 0.00 0.00 -0.02 0.00 0.00 31.44 33.03 1yuu n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yuu n GLY 28 N -0.34 0.00 2.41 0.62 0.00 -1.26 -4.10 105.19 102.52 1yuu n GLY 28 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1yuu n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yuu n ARG 29 N 0.89 -4.22 -0.98 1.61 1.74 -1.26 -4.54 116.66 109.90 1yuu n ARG 29 Ca 0.00 3.21 -0.14 0.00 -0.77 0.00 0.00 57.85 60.15 1yuu n ARG 29 Cb 0.09 -4.56 -0.15 0.00 -1.02 0.00 0.00 32.46 26.83 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1yuu n LYS 30 N 1.54 2.06 0.05 5.56 2.85 -1.26 -2.83 118.16 126.13 1yuu n LYS 30 Ca -0.31 -1.07 0.00 0.00 -1.05 0.00 0.00 58.31 55.88 1yuu n LYS 30 Cb 0.48 -2.05 0.00 0.00 -0.65 0.00 0.00 35.03 32.80 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1yuu n ASP 31 N 2.64 -0.92 -4.86 -5.58 5.68 -1.16 -4.43 116.55 107.90 1yuu n ASP 31 Ca 0.44 0.35 -0.31 0.00 -0.50 0.00 0.00 54.79 54.77 1yuu n ASP 31 Cb 0.81 1.10 -0.04 0.00 -1.14 0.00 0.00 41.12 41.86 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1yuu s SER 32 N -2.00 6.59 -0.28 -1.12 1.04 -1.13 -4.84 113.70 111.96 1yuu s SER 32 Ca 0.00 1.26 -0.16 0.00 0.48 0.00 0.00 55.95 57.53 1yuu s SER 32 Cb 0.00 -2.37 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 1yuu s SER 32 CO 0.00 -0.40 0.43 -0.76 0.98 0.00 0.00 173.24 173.48 1yuu s LEU 33 N -3.74 4.10 0.69 2.42 2.01 -0.62 -4.71 118.68 118.84 1yuu s LEU 33 Ca 0.53 0.28 -0.09 0.00 0.01 0.00 0.00 54.13 54.86 1yuu s LEU 33 Cb -0.10 -2.50 0.03 0.00 0.01 0.00 0.00 46.19 43.63 1yuu s LEU 33 CO 0.29 -0.26 1.05 -0.44 1.01 0.00 0.00 176.35 178.00 1yuu s SER 34 N 1.64 5.24 0.06 2.29 0.01 -1.26 -0.30 113.70 121.37 1yuu s SER 34 Ca 0.17 0.87 -0.33 0.00 1.31 0.00 0.00 55.95 57.96 1yuu s SER 34 Cb -0.16 -1.64 -0.19 0.00 0.21 0.00 0.00 66.02 64.24 1yuu s SER 34 CO 0.10 -1.40 1.53 0.58 0.41 0.00 0.00 173.24 174.47 1yuu h VAL 35 N -0.59 0.21 -0.63 3.43 2.07 -1.99 0.11 116.25 118.87 1yuu h VAL 35 Ca -0.45 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1yuu h VAL 35 Cb 1.28 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1yuu h VAL 35 CO 0.63 0.01 0.36 -1.13 0.02 0.00 0.00 177.57 177.45 1yuu h ASN 36 N -1.09 0.77 -0.43 0.57 -0.73 -1.95 0.10 115.58 112.84 1yuu h ASN 36 Ca -0.11 -0.08 0.09 0.00 1.87 0.00 0.00 56.30 58.07 1yuu h ASN 36 Cb 0.80 -0.20 -0.08 0.00 0.27 0.00 0.00 38.32 39.11 1yuu h ASN 36 CO 0.17 0.63 -0.14 -0.08 -0.37 0.00 0.00 177.43 177.64 1yuu h GLU 37 N 0.85 -0.04 -0.49 6.67 4.81 -1.92 0.22 114.58 124.68 1yuu h GLU 37 Ca 0.22 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1yuu h GLU 37 Cb 0.02 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1yuu h GLU 37 CO -0.04 -0.03 0.21 0.35 -0.73 0.00 0.00 179.01 178.77 1yuu h PHE 38 N -0.04 0.73 -1.01 0.92 3.57 -0.36 -3.03 116.94 117.71 1yuu h PHE 38 Ca 0.21 -0.05 0.24 0.00 3.53 0.00 0.00 57.97 61.90 1yuu h PHE 38 Cb 0.36 -0.22 -0.11 0.00 2.79 0.00 0.00 35.95 38.77 1yuu h PHE 38 CO -0.40 0.60 0.62 -0.22 -2.23 0.00 0.00 178.31 176.68 1yuu h LYS 39 N 0.64 0.54 -0.74 1.11 3.64 0.12 0.31 116.57 122.20 1yuu h LYS 39 Ca 0.16 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.67 1yuu h LYS 39 Cb 0.17 -0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 31.73 1yuu h LYS 39 CO -0.02 0.36 -0.08 0.93 -2.27 0.00 0.00 179.45 178.37 1yuu h GLU 40 N 0.56 0.05 0.10 1.90 5.08 -1.19 0.11 114.58 121.18 1yuu h GLU 40 Ca 0.61 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1yuu h GLU 40 Cb 1.25 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1yuu h GLU 40 CO -0.40 0.03 -0.07 1.25 -1.00 0.00 0.00 179.01 178.82 1yuu h LEU 41 N 0.05 -0.19 -0.60 1.33 7.12 -0.52 0.43 115.31 122.93 1yuu h LEU 41 Ca 0.38 0.02 -0.15 0.00 0.13 0.00 0.00 57.88 58.25 1yuu h LEU 41 Cb 0.63 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 1yuu h LEU 41 CO -0.70 -0.12 -0.61 -0.37 -0.13 0.00 0.00 178.44 176.51 1yuu h VAL 42 N -0.18 1.37 -0.12 1.05 -1.51 -1.41 0.84 116.25 116.29 1yuu h VAL 42 Ca -0.00 -1.97 -0.11 0.00 -1.23 0.00 0.00 66.70 63.39 1yuu h VAL 42 Cb 0.16 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1yuu h VAL 42 CO -0.00 0.59 -0.43 0.74 -1.23 0.00 0.00 177.57 177.23 1yuu h THR 43 N 0.23 1.32 0.00 7.19 2.02 -0.48 -3.36 112.91 119.82 1yuu h THR 43 Ca -0.01 -1.58 -0.00 0.00 0.77 0.00 0.00 66.41 65.59 1yuu h THR 43 Cb 1.13 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1yuu h THR 43 CO 0.10 0.47 -0.07 -0.61 0.37 0.00 0.00 175.52 175.78 1yuu h GLN 44 N 0.22 0.00 0.00 6.66 4.15 0.44 -3.48 115.11 123.10 1yuu h GLN 44 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1yuu h GLN 44 Cb 0.86 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1yuu h GLN 44 CO 0.07 0.12 0.00 1.04 -1.93 0.00 0.00 178.83 178.12 1yuu n GLN 45 N -4.74 1.58 -3.50 1.69 6.02 0.23 -4.86 117.38 113.81 1yuu n GLN 45 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.80 1yuu n GLN 45 Cb 0.08 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.31 1yuu n GLN 45 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1yuu n LEU 46 N 0.00 -0.40 -0.19 1.08 7.99 -1.26 -4.79 117.00 119.42 1yuu n LEU 46 Ca 0.00 -0.64 -0.10 0.00 -0.01 0.00 0.00 56.01 55.26 1yuu n LEU 46 Cb 0.00 -0.79 0.02 0.00 -0.11 0.00 0.00 43.42 42.53 1yuu n LEU 46 CO 0.00 0.27 0.76 1.55 -1.51 0.00 0.00 177.39 178.46 1yuu h PRO 47 N -0.28 1.05 0.00 3.23 0.13 -1.89 -3.39 132.00 130.85 1yuu h PRO 47 Ca -0.33 -0.38 -0.05 0.00 -0.87 0.00 0.00 66.00 64.37 1yuu h PRO 47 Cb 0.70 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1yuu h PRO 47 CO 0.34 1.07 -1.22 1.58 -0.23 0.00 0.00 178.00 179.54 1yuu n HIS 48 N -4.16 0.00 0.00 1.56 -0.00 -1.26 -4.56 115.22 106.81 1yuu n HIS 48 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1yuu n HIS 48 Cb 0.39 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 1yuu n HIS 48 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1yuu n LEU 49 N -2.03 0.32 -3.93 0.27 7.94 -1.26 -4.56 117.00 113.76 1yuu n LEU 49 Ca -0.04 0.65 -0.29 0.00 -1.11 0.00 0.00 56.01 55.21 1yuu n LEU 49 Cb 0.51 -0.26 -0.12 0.00 0.53 0.00 0.00 43.42 44.07 1yuu n LEU 49 CO 0.07 -0.26 -0.07 -0.76 -1.11 0.00 0.00 177.39 175.26 1yuu s LEU 50 N -2.57 4.70 0.00 -1.96 1.43 -1.26 -5.01 118.68 114.00 1yuu s LEU 50 Ca 0.00 -3.56 -0.20 0.00 -1.03 0.00 0.00 54.13 49.34 1yuu s LEU 50 Cb 0.00 -1.65 0.30 0.00 0.03 0.00 0.00 46.19 44.87 1yuu s LEU 50 CO 0.00 -0.14 0.81 2.29 0.23 0.00 0.00 176.35 179.54 1yuu n LYS 51 N 2.38 -3.83 -2.18 1.70 -0.00 -1.26 -4.60 118.16 110.37 1yuu n LYS 51 Ca 0.15 -1.33 0.00 0.00 -0.00 0.00 0.00 58.31 57.12 1yuu n LYS 51 Cb 0.34 -1.52 0.00 0.00 -0.00 0.00 0.00 35.03 33.85 1yuu n LYS 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1yuu n ASP 52 N -5.09 -1.90 0.33 -5.58 -0.08 -1.26 -4.96 116.55 98.00 1yuu n ASP 52 Ca 0.12 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.61 1yuu n ASP 52 Cb 0.51 -0.48 1.14 0.00 2.34 0.00 0.00 41.12 44.63 1yuu n ASP 52 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1yuu h VAL 53 N 0.00 0.15 0.14 5.18 3.04 -1.93 -1.07 116.25 121.76 1yuu h VAL 53 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1yuu h VAL 53 Cb 0.95 1.00 -0.03 0.00 -2.01 0.00 0.00 31.29 31.20 1yuu h VAL 53 CO 0.00 0.00 -0.23 1.23 -1.01 0.00 0.00 177.57 177.56 1yuu h GLY 54 N 0.00 -0.44 -3.08 3.17 0.00 -1.99 -3.21 103.07 97.52 1yuu h GLY 54 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1yuu h GLY 54 CO -0.00 -0.21 -0.02 -1.14 0.00 0.00 0.00 176.54 175.17 1yuu n SER 55 N -5.35 5.36 -0.22 0.19 3.41 -0.40 -4.56 113.62 112.05 1yuu n SER 55 Ca -0.07 -2.42 0.06 0.00 -0.26 0.00 0.00 58.87 56.18 1yuu n SER 55 Cb 0.27 -1.15 0.33 0.00 -0.26 0.00 0.00 64.21 63.39 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1yuu h LEU 56 N 3.13 0.72 -1.51 1.04 7.12 -1.71 -0.81 115.31 123.30 1yuu h LEU 56 Ca 0.02 0.01 0.18 0.00 0.13 0.00 0.00 57.88 58.21 1yuu h LEU 56 Cb 1.04 -0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 40.96 1yuu h LEU 56 CO 0.03 0.46 0.56 0.44 -0.13 0.00 0.00 178.44 179.80 1yuu h ASP 57 N 0.82 0.43 0.08 1.25 3.32 -1.91 0.17 116.42 120.58 1yuu h ASP 57 Ca 0.34 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.44 1yuu h ASP 57 Cb 0.29 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1yuu h ASP 57 CO -0.12 0.20 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.40 1yuu h GLU 58 N 0.44 -0.23 0.11 3.56 4.81 -1.53 -0.01 114.58 121.73 1yuu h GLU 58 Ca 0.43 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1yuu h GLU 58 Cb 1.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1yuu h GLU 58 CO -0.16 -0.16 -0.05 0.87 -0.73 0.00 0.00 179.01 178.78 1yuu h LYS 59 N -0.24 -0.14 -0.33 1.92 6.56 -1.04 0.52 116.57 123.82 1yuu h LYS 59 Ca 0.02 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.66 1yuu h LYS 59 Cb 0.25 0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 31.87 1yuu h LYS 59 CO -0.06 -0.06 -0.51 1.98 -2.06 0.00 0.00 179.45 178.74 1yuu h MET 60 N -0.18 -0.38 0.00 3.15 4.05 -0.60 0.53 114.93 121.50 1yuu h MET 60 Ca -0.01 0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 1yuu h MET 60 Cb 0.14 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1yuu h MET 60 CO 0.02 -0.25 -0.30 0.87 0.23 0.00 0.00 176.91 177.47 1yuu h LYS 61 N -0.40 0.00 -0.18 0.39 1.57 -0.82 0.38 116.57 117.51 1yuu h LYS 61 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1yuu h LYS 61 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1yuu h LYS 61 CO -0.52 0.30 0.03 0.77 -0.57 0.00 0.00 179.45 179.47 1yuu h SER 62 N 0.00 0.23 0.00 0.86 0.02 0.20 -3.37 113.55 111.50 1yuu h SER 62 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1yuu h SER 62 Cb 0.60 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1yuu h SER 62 CO 0.04 0.26 -0.32 0.18 -1.14 0.00 0.00 176.83 175.85 1yuu n LEU 63 N -4.41 1.02 -3.81 5.07 4.77 0.07 -4.69 117.00 115.02 1yuu n LEU 63 Ca -0.00 0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 1yuu n LEU 63 Cb 0.15 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 1yuu n LEU 63 CO 0.36 -0.47 2.25 -0.67 -1.33 0.00 0.00 177.39 177.53 1yuu n ASP 64 N -3.58 3.22 -0.27 -1.43 2.03 0.11 -4.73 116.55 111.89 1yuu n ASP 64 Ca -0.04 -2.76 0.26 0.00 0.52 0.00 0.00 54.79 52.78 1yuu n ASP 64 Cb 0.16 -1.41 0.62 0.00 -0.72 0.00 0.00 41.12 39.78 1yuu n ASP 64 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1yuu h VAL 65 N 4.53 0.53 0.00 5.18 3.04 -1.84 0.19 116.25 127.89 1yuu h VAL 65 Ca 0.46 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 66.08 1yuu h VAL 65 Cb 0.70 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1yuu h VAL 65 CO 1.84 0.04 -0.26 -0.46 -1.01 0.00 0.00 177.57 177.71 1yuu n ASN 66 N -4.42 0.28 -3.96 3.17 0.23 -1.26 -4.95 115.26 104.34 1yuu n ASN 66 Ca 0.23 0.12 -0.31 0.00 -0.53 0.00 0.00 54.58 54.08 1yuu n ASN 66 Cb 0.95 -0.12 0.01 0.00 -2.08 0.00 0.00 39.78 38.55 1yuu n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1yuu n GLN 67 N -1.53 -5.00 0.05 -3.83 1.13 0.67 -4.86 117.38 104.02 1yuu n GLN 67 Ca 0.06 0.55 0.12 0.00 -1.94 0.00 0.00 57.00 55.79 1yuu n GLN 67 Cb 0.34 -5.41 0.18 0.00 0.11 0.00 0.00 30.24 25.46 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1yuu n ASP 68 N -2.78 0.68 -0.49 1.08 5.68 -1.26 -4.96 116.55 114.49 1yuu n ASP 68 Ca 0.05 0.09 -0.06 0.00 -0.50 0.00 0.00 54.79 54.37 1yuu n ASP 68 Cb 0.52 0.18 -0.03 0.00 -1.14 0.00 0.00 41.12 40.65 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 -2.06 -4.46 -4.01 -1.12 7.64 -1.26 -4.98 113.62 103.37 1yuu n SER 69 Ca 0.03 0.16 -0.31 0.00 1.01 0.00 0.00 58.87 59.76 1yuu n SER 69 Cb 0.43 -2.52 -0.15 0.00 -1.01 0.00 0.00 64.21 60.96 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 -2.15 1.76 -0.49 1.43 2.02 -1.26 -3.86 118.70 116.15 1yuu s GLU 70 Ca 0.00 -1.47 -0.27 0.00 0.02 0.00 0.00 54.97 53.24 1yuu s GLU 70 Cb 0.00 -2.91 0.03 0.00 0.10 0.00 0.00 34.13 31.35 1yuu s GLU 70 CO 0.00 -0.74 1.06 -0.51 0.02 0.00 0.00 175.26 175.09 1yuu s LEU 71 N 1.10 3.77 0.31 1.80 2.01 0.59 -4.87 118.68 123.39 1yuu s LEU 71 Ca 0.00 0.25 -0.17 0.00 0.01 0.00 0.00 54.13 54.23 1yuu s LEU 71 Cb -0.19 -3.34 -0.09 0.00 0.01 0.00 0.00 46.19 42.58 1yuu s LEU 71 CO -0.08 -1.21 0.76 -0.75 1.01 0.00 0.00 176.35 176.08 1yuu s LYS 72 N 4.25 4.10 0.20 1.70 2.20 -1.26 -1.59 119.74 129.33 1yuu s LYS 72 Ca 0.43 0.78 -0.22 0.00 -0.36 0.00 0.00 55.97 56.59 1yuu s LYS 72 Cb -0.08 -2.52 0.12 0.00 -1.51 0.00 0.00 37.83 33.83 1yuu s LYS 72 CO 0.29 0.20 1.52 1.97 -0.36 0.00 0.00 175.35 178.97 1yuu n PHE 73 N -0.11 -0.15 0.19 4.03 1.16 -1.26 -0.24 117.46 121.08 1yuu n PHE 73 Ca 0.02 1.22 0.03 0.00 -1.87 0.00 0.00 57.45 56.86 1yuu n PHE 73 Cb 0.53 -0.76 0.38 0.00 -1.61 0.00 0.00 39.48 38.02 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -1.87 0.00 0.00 176.76 173.92 1yuu h ASN 74 N 0.00 0.00 0.10 5.98 -1.24 -1.99 0.12 115.58 118.54 1yuu h ASN 74 Ca 0.27 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.28 1yuu h ASN 74 Cb 0.52 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.57 1yuu h ASN 74 CO -0.96 0.37 -0.05 -0.33 -1.29 0.00 0.00 177.43 175.17 1yuu h GLU 75 N 0.00 -0.12 -0.74 6.67 5.08 -0.96 -3.13 114.58 121.38 1yuu h GLU 75 Ca -0.00 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1yuu h GLU 75 Cb 0.69 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.87 1yuu h GLU 75 CO 0.05 0.18 0.30 -0.92 -1.00 0.00 0.00 179.01 177.62 1yuu h TYR 76 N -0.44 0.51 -1.12 4.33 5.03 -0.42 -3.09 116.97 121.77 1yuu h TYR 76 Ca -0.01 0.03 0.43 0.00 2.58 0.00 0.00 58.73 61.76 1yuu h TYR 76 Cb 0.36 -0.12 -0.16 0.00 1.55 0.00 0.00 36.73 38.36 1yuu h TYR 76 CO 0.03 0.08 0.65 2.35 -1.32 0.00 0.00 178.16 179.95 1yuu h TRP 77 N 0.46 0.74 -0.96 -3.82 7.01 -0.72 0.81 115.95 119.46 1yuu h TRP 77 Ca 0.40 0.03 0.20 0.00 2.11 0.00 0.00 58.89 61.64 1yuu h TRP 77 Cb 0.58 -0.17 -0.18 0.00 -2.10 0.00 0.00 29.16 27.28 1yuu h TRP 77 CO -0.16 -0.38 -0.20 -2.13 -2.79 0.00 0.00 178.44 172.78 1yuu n ARG 78 N -5.07 -0.09 -0.26 2.65 0.63 -1.17 -0.33 116.66 113.02 1yuu n ARG 78 Ca 0.38 1.49 0.07 0.00 -0.92 0.00 0.00 57.85 58.87 1yuu n ARG 78 Cb 1.34 -2.25 0.19 0.00 0.45 0.00 0.00 32.46 32.20 1yuu n ARG 78 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1yuu h LEU 79 N 0.00 -0.18 -1.14 6.15 5.85 -1.09 0.20 115.31 125.10 1yuu h LEU 79 Ca 0.48 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 59.31 1yuu h LEU 79 Cb 0.78 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1yuu h LEU 79 CO -0.98 -0.14 -0.22 0.40 -0.34 0.00 0.00 178.44 177.16 1yuu h ILE 80 N 0.17 1.24 -0.09 4.05 2.04 -0.86 0.23 117.51 124.28 1yuu h ILE 80 Ca 0.44 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1yuu h ILE 80 Cb 0.81 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1yuu h ILE 80 CO -0.62 0.34 0.03 1.23 0.00 0.00 0.00 178.15 179.14 1yuu h GLY 81 N 0.96 0.14 0.51 5.37 0.00 -0.65 0.57 103.07 109.98 1yuu h GLY 81 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1yuu h GLY 81 CO 0.04 0.08 -0.08 0.83 0.00 0.00 0.00 176.54 177.41 1yuu h GLU 82 N -0.03 -0.20 -0.99 4.80 4.39 -0.28 0.17 114.58 122.44 1yuu h GLU 82 Ca 0.03 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.84 1yuu h GLU 82 Cb 0.19 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 28.76 1yuu h GLU 82 CO -0.00 0.21 -0.57 -0.07 -1.16 0.00 0.00 179.01 177.42 1yuu h LEU 83 N -0.71 -2.09 -0.89 1.33 3.38 -0.60 0.30 115.31 116.03 1yuu h LEU 83 Ca -0.02 0.33 0.07 0.00 0.09 0.00 0.00 57.88 58.35 1yuu h LEU 83 Cb 0.51 0.93 -0.07 0.00 0.09 0.00 0.00 40.66 42.12 1yuu h LEU 83 CO 0.04 -0.24 0.56 0.00 0.09 0.00 0.00 178.44 178.88 1yuu h ALA 84 N 0.58 1.25 0.16 1.53 0.00 -0.69 -1.49 119.26 120.60 1yuu h ALA 84 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yuu h ALA 84 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1yuu h ALA 84 CO -0.94 0.28 -0.12 -0.22 0.00 0.00 0.00 179.25 178.26 1yuu h LYS 85 N 0.99 -0.27 -0.61 0.00 1.63 0.15 -3.30 116.57 115.16 1yuu h LYS 85 Ca 0.40 0.02 0.11 0.00 -0.85 0.00 0.00 60.65 60.33 1yuu h LYS 85 Cb 0.22 0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.83 1yuu h LYS 85 CO -0.19 -0.18 0.17 0.93 -3.45 0.00 0.00 179.45 176.73 1yuu h GLU 86 N -0.28 0.30 -0.62 1.90 4.39 0.57 0.32 114.58 121.16 1yuu h GLU 86 Ca -0.01 -0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.86 1yuu h GLU 86 Cb 0.25 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1yuu h GLU 86 CO -0.01 0.20 0.45 0.97 -1.16 0.00 0.00 179.01 179.46 1yuu h ILE 87 N 0.31 0.69 0.07 3.13 2.10 -1.57 0.13 117.51 122.37 1yuu h ILE 87 Ca 0.32 0.00 -0.28 0.00 1.08 0.00 0.00 64.86 65.98 1yuu h ILE 87 Cb 0.45 0.69 -0.02 0.00 -1.09 0.00 0.00 36.82 36.85 1yuu h ILE 87 CO -0.37 0.00 -1.48 -0.09 -1.08 0.00 0.00 178.15 175.13 1yuu h ARG 88 N 0.00 0.14 0.06 2.19 1.12 -0.72 -3.43 114.38 113.74 1yuu h ARG 88 Ca 0.30 -0.24 -0.25 0.00 -1.11 0.00 0.00 59.98 58.68 1yuu h ARG 88 Cb 1.19 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.22 1yuu h ARG 88 CO -0.00 1.12 -1.18 -0.22 -3.11 0.00 0.00 179.97 176.57 1yuu h LYS 89 N -0.51 0.12 -0.43 0.20 3.64 0.44 -3.48 116.57 116.55 1yuu h LYS 89 Ca -0.35 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1yuu h LYS 89 Cb 1.63 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.47 1yuu h LYS 89 CO -0.05 1.06 -0.26 1.63 -2.27 0.00 0.00 179.45 179.57 1yuu n LYS 90 N -3.41 -0.19 -3.04 1.90 5.02 0.37 -0.67 118.16 118.14 1yuu n LYS 90 Ca -0.06 0.81 -0.15 0.00 -2.02 0.00 0.00 58.31 56.89 1yuu n LYS 90 Cb 0.99 -1.20 0.01 0.00 -0.02 0.00 0.00 35.03 34.80 1yuu n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1yuu n LYS 91 N -4.16 0.96 -1.54 1.97 4.81 -1.26 -4.97 118.16 113.97 1yuu n LYS 91 Ca 0.01 -2.88 -0.28 0.00 -0.87 0.00 0.00 58.31 54.29 1yuu n LYS 91 Cb 0.11 -1.47 -0.09 0.00 0.02 0.00 0.00 35.03 33.60 1yuu n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1yuu n ASP 92 N 0.42 1.26 0.07 3.14 -0.08 0.16 -3.24 116.55 118.27 1yuu n ASP 92 Ca 0.19 -0.71 0.00 0.00 -1.51 0.00 0.00 54.79 52.76 1yuu n ASP 92 Cb 0.66 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.78 1yuu n ASP 92 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1yuu n LEU 93 N 14.40 -1.22 -4.73 -2.67 7.94 -1.26 -5.10 117.00 124.36 1yuu n LEU 93 Ca 0.50 0.54 -0.29 0.00 -1.11 0.00 0.00 56.01 55.65 1yuu n LEU 93 Cb 0.36 1.43 0.17 0.00 0.53 0.00 0.00 43.42 45.91 1yuu n LEU 93 CO 0.75 0.07 0.69 -0.54 -1.11 0.00 0.00 177.39 177.25 1yuu s LYS 94 N -2.00 0.49 0.46 1.96 -0.14 -1.20 -5.00 119.74 114.32 1yuu s LYS 94 Ca 0.00 0.24 -0.24 0.00 -1.36 0.00 0.00 55.97 54.61 1yuu s LYS 94 Cb 0.00 -1.77 -0.08 0.00 -1.68 0.00 0.00 37.83 34.30 1yuu s LYS 94 CO 0.00 -2.63 1.26 1.51 -0.76 0.00 0.00 175.35 174.74 1yuu n ILE 95 N -4.05 2.91 -2.55 2.17 3.06 -1.26 -4.96 119.36 114.67 1yuu n ILE 95 Ca 0.08 -0.50 -0.33 0.00 -2.50 0.00 0.00 62.75 59.50 1yuu n ILE 95 Cb 0.59 -1.56 -0.04 0.00 0.54 0.00 0.00 39.64 39.17 1yuu n ILE 95 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1yuu s ARG 96 N -2.39 3.94 0.00 9.51 3.00 -1.26 -4.85 118.95 126.89 1yuu s ARG 96 Ca 0.64 1.15 0.00 0.00 0.00 0.00 0.00 55.73 57.52 1yuu s ARG 96 Cb -0.48 -2.13 0.00 0.00 0.00 0.00 0.00 34.95 32.34 1yuu s ARG 96 CO 0.55 -0.29 0.00 1.17 0.00 0.00 0.00 175.30 176.74 1yuu n LYS 97 N -1.13 0.00 -0.97 3.54 0.00 -1.26 -5.21 118.16 113.13 1yuu n LYS 97 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1yuu n LYS 97 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1yuu n LYS 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03