#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 1.07 0.00 3.04 0.00 -1.26 -4.62 121.76 119.98 1yuu s ALA 2 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1yuu s ALA 2 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1yuu s ALA 2 CO 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 175.76 173.02 1yuu n ALA 3 N -4.13 -0.21 -2.07 0.00 0.00 -1.26 -5.04 120.51 107.81 1yuu n ALA 3 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1yuu n ALA 3 Cb 0.56 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.34 3.76 -0.54 0.00 1.03 -1.26 -4.93 118.70 114.42 1yuu s GLU 4 Ca 0.00 1.71 -0.28 0.00 0.03 0.00 0.00 54.97 56.43 1yuu s GLU 4 Cb 0.00 -4.06 0.01 0.00 -0.80 0.00 0.00 34.13 29.28 1yuu s GLU 4 CO 0.00 -1.34 1.44 -1.25 -1.33 0.00 0.00 175.26 172.78 1yuu s PRO 5 N 4.78 3.30 0.64 -4.83 0.04 -1.26 -5.01 135.00 132.66 1yuu s PRO 5 Ca 0.74 0.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 1yuu s PRO 5 Cb -0.26 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 1yuu s PRO 5 CO 0.30 -1.93 1.04 -0.48 0.04 0.00 0.00 177.00 175.97 1yuu s LEU 6 N 6.13 3.17 0.73 -3.56 0.05 -1.26 -5.03 118.68 118.91 1yuu s LEU 6 Ca 0.54 1.39 -0.14 0.00 0.05 0.00 0.00 54.13 55.96 1yuu s LEU 6 Cb -0.11 -4.39 0.04 0.00 -2.05 0.00 0.00 46.19 39.68 1yuu s LEU 6 CO 0.26 -0.98 1.18 0.28 -0.55 0.00 0.00 176.35 176.54 1yuu s THR 7 N -3.20 2.53 0.20 5.48 -1.32 -1.26 -4.67 115.64 113.40 1yuu s THR 7 Ca 0.56 0.25 -0.02 0.00 -1.21 0.00 0.00 61.69 61.26 1yuu s THR 7 Cb -0.11 -2.76 0.30 0.00 -1.51 0.00 0.00 72.50 68.42 1yuu s THR 7 CO 0.54 -0.15 1.05 -0.62 -2.21 0.00 0.00 174.62 173.23 1yuu n GLU 8 N -2.80 -0.06 -0.09 7.08 1.02 -1.26 -0.28 120.64 124.25 1yuu n GLU 8 Ca 0.12 1.03 -0.11 0.00 -0.02 0.00 0.00 57.16 58.18 1yuu n GLU 8 Cb 0.51 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1yuu n GLU 8 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1yuu h LEU 9 N 0.00 0.53 0.22 -4.62 3.38 -1.99 0.73 115.31 113.55 1yuu h LEU 9 Ca 0.37 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1yuu h LEU 9 Cb 0.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1yuu h LEU 9 CO -0.66 0.76 -0.18 -0.33 0.09 0.00 0.00 178.44 178.11 1yuu h GLU 10 N 0.29 -0.40 -0.25 1.13 5.08 -1.44 0.49 114.58 119.47 1yuu h GLU 10 Ca 0.07 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1yuu h GLU 10 Cb 0.52 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1yuu h GLU 10 CO 0.02 -0.27 -0.53 0.93 -1.00 0.00 0.00 179.01 178.16 1yuu h GLU 11 N -0.42 -0.46 -0.09 2.33 4.39 -0.54 -0.06 114.58 119.73 1yuu h GLU 11 Ca -0.01 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1yuu h GLU 11 Cb 0.38 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1yuu h GLU 11 CO -0.02 -0.31 0.05 0.66 -1.16 0.00 0.00 179.01 178.23 1yuu h SER 12 N -0.48 0.10 -0.74 1.42 4.64 -0.75 0.05 113.55 117.79 1yuu h SER 12 Ca 0.05 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1yuu h SER 12 Cb 0.62 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1yuu h SER 12 CO -0.50 0.11 0.35 0.16 -0.87 0.00 0.00 176.83 176.08 1yuu h ILE 13 N 0.09 1.24 -0.10 0.95 -0.00 -0.66 -0.70 117.51 118.33 1yuu h ILE 13 Ca 0.03 -0.70 -0.00 0.00 -0.00 0.00 0.00 64.86 64.19 1yuu h ILE 13 Cb 0.02 0.29 -0.00 0.00 -0.00 0.00 0.00 36.82 37.13 1yuu h ILE 13 CO -0.01 0.29 0.05 -0.08 -0.00 0.00 0.00 178.15 178.41 1yuu h GLU 14 N 1.08 0.15 -0.95 0.16 4.81 -0.80 0.18 114.58 119.21 1yuu h GLU 14 Ca 0.26 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.56 1yuu h GLU 14 Cb 0.13 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 1yuu h GLU 14 CO -0.03 0.22 0.60 0.00 -0.73 0.00 0.00 179.01 179.06 1yuu h THR 15 N 0.05 0.99 -0.03 0.32 1.03 -0.05 0.94 112.91 116.16 1yuu h THR 15 Ca 0.04 -0.35 -0.23 0.00 -0.01 0.00 0.00 66.41 65.86 1yuu h THR 15 Cb 0.12 -0.12 0.01 0.00 -1.07 0.00 0.00 68.15 67.08 1yuu h THR 15 CO -0.00 0.19 -0.91 -0.37 -0.01 0.00 0.00 175.52 174.41 1yuu h VAL 16 N 1.02 1.36 -0.45 0.00 -1.51 -1.08 -2.20 116.25 113.39 1yuu h VAL 16 Ca 0.44 -2.30 0.05 0.00 -1.23 0.00 0.00 66.70 63.66 1yuu h VAL 16 Cb 0.31 2.31 -0.05 0.00 -2.13 0.00 0.00 31.29 31.73 1yuu h VAL 16 CO -0.22 0.70 0.18 0.58 -1.23 0.00 0.00 177.57 177.58 1yuu h VAL 17 N 0.31 0.89 -0.49 7.19 2.07 0.37 0.15 116.25 126.75 1yuu h VAL 17 Ca -0.08 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1yuu h VAL 17 Cb 1.54 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1yuu h VAL 17 CO 0.16 0.07 0.11 0.00 0.02 0.00 0.00 177.57 177.93 1yuu h THR 18 N 0.37 1.24 0.06 2.57 1.03 -0.87 0.12 112.91 117.43 1yuu h THR 18 Ca 0.21 -0.86 0.01 0.00 -0.01 0.00 0.00 66.41 65.76 1yuu h THR 18 Cb 0.18 0.86 -0.02 0.00 -1.07 0.00 0.00 68.15 68.10 1yuu h THR 18 CO -0.19 0.31 -0.12 0.74 -0.01 0.00 0.00 175.52 176.25 1yuu h THR 19 N 0.67 0.70 -0.52 0.00 2.02 -0.98 -0.49 112.91 114.32 1yuu h THR 19 Ca 0.15 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.41 1yuu h THR 19 Cb 0.35 0.70 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 1yuu h THR 19 CO 0.00 0.00 -0.43 0.15 0.37 0.00 0.00 175.52 175.61 1yuu h PHE 20 N -0.24 -1.26 -0.23 3.16 3.57 -0.58 -2.54 116.94 118.81 1yuu h PHE 20 Ca 0.03 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1yuu h PHE 20 Cb 0.26 0.63 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 1yuu h PHE 20 CO -0.16 -0.43 -0.16 0.35 -2.23 0.00 0.00 178.31 175.69 1yuu h PHE 21 N -0.26 -0.39 -0.66 0.41 3.57 0.15 0.37 116.94 120.13 1yuu h PHE 21 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1yuu h PHE 21 Cb 0.57 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1yuu h PHE 21 CO -0.68 -0.23 0.42 0.00 -2.23 0.00 0.00 178.31 175.59 1yuu h THR 22 N -0.15 1.18 -0.38 4.41 1.03 -0.85 -0.48 112.91 117.69 1yuu h THR 22 Ca 0.13 -0.37 -0.16 0.00 -0.01 0.00 0.00 66.41 66.00 1yuu h THR 22 Cb 0.34 0.23 -0.01 0.00 -1.07 0.00 0.00 68.15 67.65 1yuu h THR 22 CO -0.32 0.18 -0.40 -0.26 -0.01 0.00 0.00 175.52 174.70 1yuu h PHE 23 N 0.90 1.13 -0.16 0.00 0.04 -0.89 -3.33 116.94 114.64 1yuu h PHE 23 Ca 0.24 -0.34 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 1yuu h PHE 23 Cb -0.07 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 1yuu h PHE 23 CO 0.00 1.18 0.05 0.00 -0.60 0.00 0.00 178.31 178.94 1yuu h ALA 24 N 0.77 1.80 0.00 2.45 0.00 0.14 -1.44 119.26 122.98 1yuu h ALA 24 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yuu h ALA 24 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1yuu h ALA 24 CO 0.10 0.17 -0.00 0.07 0.00 0.00 0.00 179.25 179.58 1yuu h ARG 25 N 0.22 0.00 -0.42 0.00 -0.00 -1.51 -3.31 114.38 109.35 1yuu h ARG 25 Ca 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.09 1yuu h ARG 25 Cb 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 29.96 1yuu h ARG 25 CO -0.00 0.00 -0.51 0.37 -0.00 0.00 0.00 179.97 179.83 1yuu h GLN 26 N 0.00 -0.31 -3.75 0.08 5.75 -1.39 -3.28 115.11 112.20 1yuu h GLN 26 Ca 0.00 0.02 -0.70 0.00 -0.15 0.00 0.00 58.65 57.82 1yuu h GLN 26 Cb 0.92 0.07 -0.34 0.00 1.07 0.00 0.00 27.48 29.19 1yuu h GLN 26 CO 0.00 -0.21 -0.36 -1.21 -2.65 0.00 0.00 178.83 174.41 1yuu s GLU 27 N -5.37 2.56 0.67 1.69 2.02 -1.26 -5.05 118.70 113.96 1yuu s GLU 27 Ca -0.13 -2.40 0.00 0.00 0.02 0.00 0.00 54.97 52.46 1yuu s GLU 27 Cb 0.08 -3.77 0.00 0.00 0.10 0.00 0.00 34.13 30.54 1yuu s GLU 27 CO 0.55 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1yuu n GLY 28 N 3.72 -0.12 1.47 -1.39 0.00 -1.24 -4.72 105.19 102.91 1yuu n GLY 28 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.50 -0.17 -1.08 1.61 1.74 -1.26 -4.40 116.66 112.60 1yuu n ARG 29 Ca 0.00 0.32 -0.20 0.00 -0.77 0.00 0.00 57.85 57.20 1yuu n ARG 29 Cb 0.00 -0.36 -0.12 0.00 -1.02 0.00 0.00 32.46 30.96 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 0.94 2.51 0.05 5.56 2.85 -1.25 -2.45 118.16 126.38 1yuu n LYS 30 Ca 0.00 -1.37 0.00 0.00 -1.05 0.00 0.00 58.31 55.89 1yuu n LYS 30 Cb 0.16 -2.25 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 -0.40 -0.05 0.00 0.00 177.40 176.95 1yuu n ASP 31 N 2.87 -0.93 -4.74 -5.58 5.68 -1.25 -4.78 116.55 107.82 1yuu n ASP 31 Ca 0.54 0.56 -0.40 0.00 -0.50 0.00 0.00 54.79 54.98 1yuu n ASP 31 Cb 0.68 1.22 -0.05 0.00 -1.14 0.00 0.00 41.12 41.83 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 -1.92 7.21 -0.22 -1.12 1.04 -1.03 -3.85 113.70 113.82 1yuu s SER 32 Ca 0.00 1.45 -0.15 0.00 0.48 0.00 0.00 55.95 57.73 1yuu s SER 32 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 1yuu s SER 32 CO 0.00 -0.01 0.35 -0.76 0.98 0.00 0.00 173.24 173.81 1yuu s LEU 33 N 0.03 4.13 0.83 2.42 2.01 -0.04 -4.74 118.68 123.33 1yuu s LEU 33 Ca 0.39 0.41 -0.11 0.00 0.01 0.00 0.00 54.13 54.84 1yuu s LEU 33 Cb -0.20 -2.43 0.13 0.00 0.01 0.00 0.00 46.19 43.69 1yuu s LEU 33 CO 0.23 -0.06 1.17 -0.55 1.01 0.00 0.00 176.35 178.15 1yuu s SER 34 N 1.12 4.04 0.09 2.29 0.15 -1.26 -0.74 113.70 119.39 1yuu s SER 34 Ca 0.16 0.39 -0.15 0.00 0.70 0.00 0.00 55.95 57.05 1yuu s SER 34 Cb -0.15 -0.74 -0.10 0.00 -1.71 0.00 0.00 66.02 63.33 1yuu s SER 34 CO 0.07 -2.14 1.40 -0.37 1.20 0.00 0.00 173.24 173.40 1yuu h VAL 35 N -1.11 1.31 -0.05 4.45 -1.51 -1.99 0.54 116.25 117.89 1yuu h VAL 35 Ca -0.44 -1.49 -0.01 0.00 -1.23 0.00 0.00 66.70 63.53 1yuu h VAL 35 Cb 1.28 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 32.11 1yuu h VAL 35 CO 0.51 0.47 -0.01 -1.13 -1.23 0.00 0.00 177.57 176.18 1yuu h ASN 36 N 0.39 0.10 -0.99 4.19 -1.24 -1.98 0.79 115.58 116.84 1yuu h ASN 36 Ca 0.03 -0.37 0.19 0.00 0.71 0.00 0.00 56.30 56.86 1yuu h ASN 36 Cb 0.88 -0.03 -0.18 0.00 0.73 0.00 0.00 38.32 39.72 1yuu h ASN 36 CO 0.07 0.45 -0.27 -0.62 -1.29 0.00 0.00 177.43 175.77 1yuu n GLU 37 N -4.84 -0.11 0.39 6.67 1.02 -1.20 -0.19 120.64 122.38 1yuu n GLU 37 Ca -0.07 1.54 -0.19 0.00 -0.02 0.00 0.00 57.16 58.42 1yuu n GLU 37 Cb 0.22 -2.30 -0.10 0.00 -0.02 0.00 0.00 31.44 29.25 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 -1.23 -0.87 -0.32 3.57 -0.54 -3.11 116.94 114.43 1yuu h PHE 38 Ca 0.45 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.10 1yuu h PHE 38 Cb 0.70 0.44 -0.10 0.00 2.79 0.00 0.00 35.95 39.79 1yuu h PHE 38 CO -0.78 -0.68 0.46 -0.22 -2.23 0.00 0.00 178.31 174.87 1yuu h LYS 39 N -1.10 0.63 -0.86 1.11 3.64 0.17 -0.25 116.57 119.90 1yuu h LYS 39 Ca -0.09 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.41 1yuu h LYS 39 Cb 0.90 -0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.48 1yuu h LYS 39 CO 0.07 0.42 0.45 0.93 -2.27 0.00 0.00 179.45 179.05 1yuu h GLU 40 N 0.65 0.60 0.01 1.90 5.08 -0.51 0.20 114.58 122.51 1yuu h GLU 40 Ca 0.48 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1yuu h GLU 40 Cb 0.68 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1yuu h GLU 40 CO -0.36 0.40 -0.01 1.25 -1.00 0.00 0.00 179.01 179.29 1yuu h LEU 41 N 0.62 -0.01 -0.63 1.33 7.12 -0.99 0.21 115.31 122.96 1yuu h LEU 41 Ca 0.48 -0.15 -0.15 0.00 0.13 0.00 0.00 57.88 58.19 1yuu h LEU 41 Cb 0.69 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.81 1yuu h LEU 41 CO -0.37 0.14 -0.64 -0.37 -0.13 0.00 0.00 178.44 177.07 1yuu h VAL 42 N -0.17 1.41 -0.03 1.05 -1.51 -1.32 -0.75 116.25 114.92 1yuu h VAL 42 Ca -0.00 -2.08 -0.25 0.00 -1.23 0.00 0.00 66.70 63.14 1yuu h VAL 42 Cb 0.16 2.08 0.01 0.00 -2.13 0.00 0.00 31.29 31.42 1yuu h VAL 42 CO 0.00 0.61 -0.97 0.74 -1.23 0.00 0.00 177.57 176.73 1yuu h THR 43 N 0.14 1.31 0.00 7.19 2.02 -0.52 -3.38 112.91 119.67 1yuu h THR 43 Ca -0.01 -2.25 -0.00 0.00 0.77 0.00 0.00 66.41 64.92 1yuu h THR 43 Cb 1.15 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1yuu h THR 43 CO 0.10 0.69 -0.00 -0.61 0.37 0.00 0.00 175.52 176.06 1yuu h GLN 44 N 0.37 -0.01 0.00 6.66 4.15 -0.38 -3.47 115.11 122.44 1yuu h GLN 44 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1yuu h GLN 44 Cb 1.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.30 1yuu h GLN 44 CO 0.18 0.43 0.00 0.94 -1.93 0.00 0.00 178.83 178.45 1yuu n GLN 45 N -4.71 0.00 -3.63 1.69 -0.06 -0.31 -4.90 117.38 105.46 1yuu n GLN 45 Ca -0.04 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.77 1yuu n GLN 45 Cb 0.21 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.39 1yuu n GLN 45 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1yuu n LEU 46 N 0.00 -0.32 -0.05 1.69 7.99 -1.26 -4.89 117.00 120.16 1yuu n LEU 46 Ca 0.00 -0.57 -0.14 0.00 -0.01 0.00 0.00 56.01 55.28 1yuu n LEU 46 Cb 0.00 -0.75 -0.07 0.00 -0.11 0.00 0.00 43.42 42.48 1yuu n LEU 46 CO 0.00 0.33 0.49 1.55 -1.51 0.00 0.00 177.39 178.25 1yuu h PRO 47 N 0.37 0.48 -1.39 3.23 0.13 -1.88 -3.41 132.00 129.52 1yuu h PRO 47 Ca -0.33 -0.31 -0.41 0.00 -0.87 0.00 0.00 66.00 64.07 1yuu h PRO 47 Cb 0.67 0.04 -0.32 0.00 0.13 0.00 0.00 31.00 31.52 1yuu h PRO 47 CO 0.22 0.92 -0.96 1.58 -0.23 0.00 0.00 178.00 179.53 1yuu n HIS 48 N -4.37 -0.82 0.00 1.56 -0.00 -1.26 -5.03 115.22 105.29 1yuu n HIS 48 Ca -0.07 -3.27 0.00 0.00 -0.00 0.00 0.00 57.72 54.39 1yuu n HIS 48 Cb 0.48 0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.68 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 0.46 0.00 -4.59 0.27 7.94 -1.26 -5.07 117.00 114.75 1yuu n LEU 49 Ca 0.19 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.78 1yuu n LEU 49 Cb 0.66 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.79 1yuu n LEU 49 CO 0.16 0.00 0.53 0.18 -1.11 0.00 0.00 177.39 177.15 1yuu n LEU 50 N 0.00 1.84 0.00 -1.96 4.77 -1.26 -4.87 117.00 115.51 1yuu n LEU 50 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1yuu n LEU 50 Cb 0.00 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1yuu n LEU 50 CO 0.00 -2.57 0.00 2.29 -1.33 0.00 0.00 177.39 175.78 1yuu n LYS 51 N -4.10 0.00 -3.43 3.23 0.00 -1.26 -4.82 118.16 107.78 1yuu n LYS 51 Ca 0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.15 1yuu n LYS 51 Cb 0.53 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.59 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 0.00 -5.13 0.27 -5.58 8.00 -1.26 -4.84 116.55 108.01 1yuu n ASP 52 Ca 0.00 -0.48 0.17 0.00 0.71 0.00 0.00 54.79 55.19 1yuu n ASP 52 Cb 0.00 -4.13 0.92 0.00 -0.02 0.00 0.00 41.12 37.89 1yuu n ASP 52 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1yuu h VAL 53 N -1.62 0.41 0.34 2.53 3.04 -1.95 0.11 116.25 119.11 1yuu h VAL 53 Ca -0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 1yuu h VAL 53 Cb 1.35 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1yuu h VAL 53 CO 0.59 0.00 -0.16 1.23 -1.01 0.00 0.00 177.57 178.21 1yuu h GLY 54 N 0.00 -0.48 -3.87 3.17 0.00 -2.01 -3.26 103.07 96.62 1yuu h GLY 54 Ca 0.03 0.18 -0.25 0.00 0.00 0.00 0.00 47.33 47.29 1yuu h GLY 54 CO -0.00 -0.17 0.01 -1.26 0.00 0.00 0.00 176.54 175.11 1yuu n SER 55 N -5.25 5.76 -0.13 0.19 2.88 0.38 -4.60 113.62 112.86 1yuu n SER 55 Ca -0.10 -2.74 0.19 0.00 -1.33 0.00 0.00 58.87 54.89 1yuu n SER 55 Cb 0.23 -1.26 0.59 0.00 -0.75 0.00 0.00 64.21 63.01 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 3.98 0.23 -0.90 2.46 7.12 -1.64 -2.18 115.31 124.37 1yuu h LEU 56 Ca 0.22 0.02 0.23 0.00 0.13 0.00 0.00 57.88 58.47 1yuu h LEU 56 Cb 1.12 -0.03 -0.17 0.00 -0.53 0.00 0.00 40.66 41.06 1yuu h LEU 56 CO 0.43 0.11 -0.06 0.47 -0.13 0.00 0.00 178.44 179.26 1yuu n ASP 57 N -4.43 -0.18 -0.09 1.25 9.92 -1.26 -0.47 116.55 121.29 1yuu n ASP 57 Ca 0.14 1.54 -0.10 0.00 -0.53 0.00 0.00 54.79 55.84 1yuu n ASP 57 Cb 0.63 -0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 40.55 1yuu n ASP 57 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1yuu h GLU 58 N 0.00 0.44 0.25 -1.24 4.11 -1.79 0.65 114.58 117.00 1yuu h GLU 58 Ca 0.51 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.83 1yuu h GLU 58 Cb 0.97 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1yuu h GLU 58 CO -0.88 0.51 -0.12 0.87 0.07 0.00 0.00 179.01 179.46 1yuu h LYS 59 N 0.29 -0.33 -0.45 1.06 1.57 -1.20 -0.52 116.57 116.98 1yuu h LYS 59 Ca 0.09 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1yuu h LYS 59 Cb 0.26 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.55 1yuu h LYS 59 CO -0.00 -0.17 -0.43 1.98 -0.57 0.00 0.00 179.45 180.26 1yuu h MET 60 N -0.41 -0.29 -0.47 3.15 4.05 -0.53 0.15 114.93 120.59 1yuu h MET 60 Ca -0.03 0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 1yuu h MET 60 Cb 0.31 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1yuu h MET 60 CO 0.06 -0.19 -0.07 0.87 0.23 0.00 0.00 176.91 177.80 1yuu h LYS 61 N -0.30 0.82 -0.52 0.39 1.57 -0.78 0.20 116.57 117.95 1yuu h LYS 61 Ca 0.15 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1yuu h LYS 61 Cb 0.58 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1yuu h LYS 61 CO -0.60 0.88 0.31 1.03 -0.57 0.00 0.00 179.45 180.49 1yuu h SER 62 N 0.75 0.50 0.45 0.86 0.87 -0.26 -3.29 113.55 113.43 1yuu h SER 62 Ca 0.13 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1yuu h SER 62 Cb 0.56 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1yuu h SER 62 CO 0.03 0.35 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.40 1yuu h LEU 63 N 0.62 -0.51 -7.09 2.23 3.38 -0.12 -3.35 115.31 110.47 1yuu h LEU 63 Ca 0.21 -0.04 -0.66 0.00 0.09 0.00 0.00 57.88 57.48 1yuu h LEU 63 Cb 0.03 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1yuu h LEU 63 CO -0.10 -0.08 2.48 -0.67 0.09 0.00 0.00 178.44 180.16 1yuu n ASP 64 N -5.18 4.24 -0.07 -0.43 2.03 0.65 -4.77 116.55 113.01 1yuu n ASP 64 Ca -0.08 -2.86 0.25 0.00 0.52 0.00 0.00 54.79 52.62 1yuu n ASP 64 Cb 0.26 -1.68 0.72 0.00 -0.72 0.00 0.00 41.12 39.71 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 4.96 0.46 -0.13 5.18 -1.51 -1.71 0.22 116.25 123.72 1yuu h VAL 65 Ca 0.48 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.82 1yuu h VAL 65 Cb 0.78 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 1yuu h VAL 65 CO 1.63 0.00 -0.47 0.78 -1.23 0.00 0.00 177.57 178.28 1yuu h ASN 66 N 0.00 0.36 -6.08 4.19 4.21 -1.89 -3.47 115.58 112.90 1yuu h ASN 66 Ca 0.34 -0.17 -0.41 0.00 1.21 0.00 0.00 56.30 57.27 1yuu h ASN 66 Cb 1.51 -0.10 0.07 0.00 -1.12 0.00 0.00 38.32 38.68 1yuu h ASN 66 CO -0.00 0.78 -0.87 0.00 -1.29 0.00 0.00 177.43 176.05 1yuu n GLN 67 N -3.98 -3.53 -0.00 0.81 6.02 0.77 -4.95 117.38 112.53 1yuu n GLN 67 Ca -0.02 0.59 0.09 0.00 -0.01 0.00 0.00 57.00 57.65 1yuu n GLN 67 Cb 0.54 -4.93 -0.12 0.00 1.02 0.00 0.00 30.24 26.74 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1yuu n ASP 68 N -2.98 0.79 -0.84 1.08 5.68 -1.26 -5.00 116.55 114.02 1yuu n ASP 68 Ca -0.22 -0.64 -0.11 0.00 -0.50 0.00 0.00 54.79 53.32 1yuu n ASP 68 Cb 0.65 1.28 -0.05 0.00 -1.14 0.00 0.00 41.12 41.86 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 -1.67 -4.83 -4.25 -1.12 7.64 -1.26 -4.98 113.62 103.14 1yuu n SER 69 Ca 0.01 0.27 -0.36 0.00 1.01 0.00 0.00 58.87 59.80 1yuu n SER 69 Cb 0.36 -3.30 -0.13 0.00 -1.01 0.00 0.00 64.21 60.13 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 -2.78 2.73 -0.89 1.43 2.02 -1.26 -4.56 118.70 115.38 1yuu s GLU 70 Ca 0.00 -1.08 -0.23 0.00 0.02 0.00 0.00 54.97 53.68 1yuu s GLU 70 Cb 0.00 -3.28 0.06 0.00 0.10 0.00 0.00 34.13 31.01 1yuu s GLU 70 CO 0.00 -0.55 1.28 -0.51 0.02 0.00 0.00 175.26 175.50 1yuu s LEU 71 N 1.38 3.85 0.85 1.80 2.01 0.08 -4.90 118.68 123.75 1yuu s LEU 71 Ca -0.01 -1.27 -0.11 0.00 0.01 0.00 0.00 54.13 52.75 1yuu s LEU 71 Cb -0.18 -2.51 0.10 0.00 0.01 0.00 0.00 46.19 43.60 1yuu s LEU 71 CO 0.00 -1.49 1.10 -0.75 1.01 0.00 0.00 176.35 176.22 1yuu s LYS 72 N 4.58 1.64 0.15 1.70 2.20 -1.26 -0.86 119.74 127.89 1yuu s LYS 72 Ca 0.38 1.10 -0.29 0.00 -0.36 0.00 0.00 55.97 56.80 1yuu s LYS 72 Cb -0.05 -1.83 -0.06 0.00 -1.51 0.00 0.00 37.83 34.37 1yuu s LYS 72 CO -0.01 -2.05 1.48 1.19 -0.36 0.00 0.00 175.35 175.60 1yuu n PHE 73 N -3.79 -0.41 0.26 4.03 3.01 -1.25 -0.07 117.46 119.24 1yuu n PHE 73 Ca 0.09 1.16 0.14 0.00 1.01 0.00 0.00 57.45 59.85 1yuu n PHE 73 Cb 0.54 -0.57 0.64 0.00 -0.01 0.00 0.00 39.48 40.07 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1yuu h ASN 74 N 0.00 0.00 0.25 4.37 -1.24 -1.94 0.01 115.58 117.02 1yuu h ASN 74 Ca 0.15 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1yuu h ASN 74 Cb 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1yuu h ASN 74 CO -0.87 0.11 -0.12 -0.33 -1.29 0.00 0.00 177.43 174.92 1yuu h GLU 75 N 0.00 -0.32 -0.44 6.67 5.08 -0.81 -3.14 114.58 121.61 1yuu h GLU 75 Ca -0.00 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1yuu h GLU 75 Cb 0.54 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1yuu h GLU 75 CO 0.01 -0.00 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.10 1yuu h TYR 76 N -0.97 -0.03 -1.14 4.33 5.03 -0.87 -1.16 116.97 122.16 1yuu h TYR 76 Ca -0.03 0.03 0.33 0.00 2.58 0.00 0.00 58.73 61.63 1yuu h TYR 76 Cb 0.47 0.08 -0.10 0.00 1.55 0.00 0.00 36.73 38.73 1yuu h TYR 76 CO 0.05 -0.10 0.74 2.35 -1.32 0.00 0.00 178.16 179.88 1yuu h TRP 77 N 0.11 0.57 -0.96 -3.82 2.91 -1.09 -0.14 115.95 113.54 1yuu h TRP 77 Ca 0.22 0.02 0.27 0.00 1.13 0.00 0.00 58.89 60.53 1yuu h TRP 77 Cb 0.32 -0.16 -0.17 0.00 -0.51 0.00 0.00 29.16 28.64 1yuu h TRP 77 CO -0.29 -0.03 0.09 0.00 -1.03 0.00 0.00 178.44 177.18 1yuu h ARG 78 N 0.27 0.04 -0.96 2.65 3.08 -1.15 0.19 114.38 118.49 1yuu h ARG 78 Ca 0.67 -0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.92 1yuu h ARG 78 Cb 1.90 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.83 1yuu h ARG 78 CO -0.32 0.03 0.55 1.25 -1.07 0.00 0.00 179.97 180.40 1yuu h LEU 79 N 0.04 0.64 -0.62 3.04 5.85 -1.18 0.24 115.31 123.32 1yuu h LEU 79 Ca 0.60 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 59.34 1yuu h LEU 79 Cb 1.25 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1yuu h LEU 79 CO -0.86 0.17 -0.45 0.40 -0.34 0.00 0.00 178.44 177.36 1yuu h ILE 80 N 0.63 0.94 -0.70 4.05 2.04 -0.79 0.55 117.51 124.23 1yuu h ILE 80 Ca 0.58 -1.84 0.07 0.00 1.00 0.00 0.00 64.86 64.67 1yuu h ILE 80 Cb 1.00 2.13 -0.06 0.00 -0.74 0.00 0.00 36.82 39.14 1yuu h ILE 80 CO -0.43 0.45 0.39 1.23 0.00 0.00 0.00 178.15 179.78 1yuu h GLY 81 N 2.50 1.04 1.89 5.37 0.00 -0.48 -0.88 103.07 112.52 1yuu h GLY 81 Ca -0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 47.33 46.83 1yuu h GLY 81 CO 0.06 0.15 -1.08 0.83 0.00 0.00 0.00 176.54 176.50 1yuu h GLU 82 N 0.71 0.04 0.44 4.80 4.39 0.39 0.22 114.58 125.58 1yuu h GLU 82 Ca 0.32 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1yuu h GLU 82 Cb 0.22 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1yuu h GLU 82 CO -0.20 1.01 -0.51 -0.07 -1.16 0.00 0.00 179.01 178.08 1yuu h LEU 83 N 0.01 -1.43 0.00 1.33 4.07 0.24 0.44 115.31 119.98 1yuu h LEU 83 Ca -0.04 0.12 0.03 0.00 0.08 0.00 0.00 57.88 58.07 1yuu h LEU 83 Cb 1.81 0.48 -0.04 0.00 1.08 0.00 0.00 40.66 43.99 1yuu h LEU 83 CO 0.14 -0.65 -0.23 0.00 -1.08 0.00 0.00 178.44 176.61 1yuu h ALA 84 N -0.81 -0.31 -0.74 1.53 0.00 -1.15 -2.59 119.26 115.19 1yuu h ALA 84 Ca -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1yuu h ALA 84 Cb 0.86 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1yuu h ALA 84 CO -0.10 -0.73 0.28 -0.22 0.00 0.00 0.00 179.25 178.48 1yuu h LYS 85 N -0.37 1.11 -0.38 0.00 3.64 -0.49 -1.68 116.57 118.41 1yuu h LYS 85 Ca 0.06 -0.21 0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1yuu h LYS 85 Cb 0.45 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.01 1yuu h LYS 85 CO -0.21 0.92 -0.16 0.93 -2.27 0.00 0.00 179.45 178.66 1yuu h GLU 86 N 1.07 -0.08 -0.54 1.90 4.39 0.26 0.75 114.58 122.33 1yuu h GLU 86 Ca 0.25 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.05 1yuu h GLU 86 Cb 0.23 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.82 1yuu h GLU 86 CO -0.02 -0.06 0.09 0.82 -1.16 0.00 0.00 179.01 178.69 1yuu h ILE 87 N -0.09 0.67 -0.95 3.13 2.04 -1.17 0.87 117.51 122.01 1yuu h ILE 87 Ca 0.19 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1yuu h ILE 87 Cb 0.38 0.43 -0.12 0.00 -0.74 0.00 0.00 36.82 36.76 1yuu h ILE 87 CO -0.44 0.04 -0.51 0.54 0.00 0.00 0.00 178.15 177.78 1yuu n ARG 88 N -5.14 -0.36 -1.98 2.37 1.74 0.87 -4.99 116.66 109.17 1yuu n ARG 88 Ca 0.07 1.44 -0.30 0.00 -0.77 0.00 0.00 57.85 58.29 1yuu n ARG 88 Cb 0.28 -2.12 0.02 0.00 -1.02 0.00 0.00 32.46 29.62 1yuu n ARG 88 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1yuu s LYS 89 N -5.59 3.27 0.26 5.56 2.20 0.22 -4.95 119.74 120.71 1yuu s LYS 89 Ca -0.12 0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 55.98 1yuu s LYS 89 Cb 0.13 -2.10 0.50 0.00 -1.51 0.00 0.00 37.83 34.85 1yuu s LYS 89 CO 0.61 -0.72 1.62 -0.22 -0.36 0.00 0.00 175.35 176.28 1yuu h LYS 90 N -0.39 0.09 0.00 4.03 3.64 -1.87 -2.82 116.57 119.25 1yuu h LYS 90 Ca -0.45 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 1yuu h LYS 90 Cb 1.22 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1yuu h LYS 90 CO 0.63 0.06 -0.49 1.17 -2.27 0.00 0.00 179.45 178.54 1yuu n LYS 91 N -5.37 0.45 0.00 1.90 4.81 -1.26 -4.72 118.16 113.96 1yuu n LYS 91 Ca 0.15 -1.78 0.00 0.00 -0.87 0.00 0.00 58.31 55.81 1yuu n LYS 91 Cb 0.52 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.84 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 -0.34 0.00 0.05 3.14 2.03 -1.07 -1.32 116.55 119.05 1yuu n ASP 92 Ca 0.07 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.16 1yuu n ASP 92 Cb 0.78 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 41.03 1yuu n ASP 92 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1yuu h LEU 93 N 0.00 0.52 -8.82 -2.67 5.85 -1.89 -3.49 115.31 104.81 1yuu h LEU 93 Ca 0.00 -0.87 -0.42 0.00 0.84 0.00 0.00 57.88 57.42 1yuu h LEU 93 Cb 0.00 -0.17 -0.12 0.00 0.37 0.00 0.00 40.66 40.74 1yuu h LEU 93 CO 0.00 1.75 -0.44 -0.54 -0.34 0.00 0.00 178.44 178.87 1yuu s LYS 94 N -2.58 1.76 0.17 1.25 1.02 -0.43 -5.10 119.74 115.83 1yuu s LYS 94 Ca -0.17 -1.95 -0.34 0.00 0.02 0.00 0.00 55.97 53.54 1yuu s LYS 94 Cb 0.06 0.35 -0.14 0.00 -0.52 0.00 0.00 37.83 37.58 1yuu s LYS 94 CO 0.83 -0.66 1.59 -0.89 -0.92 0.00 0.00 175.35 175.29 1yuu n ILE 95 N -0.59 0.03 -3.48 2.17 2.08 -1.25 -4.58 119.36 113.73 1yuu n ILE 95 Ca 0.06 -0.01 -0.04 0.00 0.56 0.00 0.00 62.75 63.33 1yuu n ILE 95 Cb 0.62 -1.58 0.01 0.00 -0.75 0.00 0.00 39.64 37.94 1yuu n ILE 95 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1yuu n ARG 96 N 3.43 0.49 -3.65 0.38 0.00 -1.26 -5.06 116.66 110.99 1yuu n ARG 96 Ca 0.17 -1.00 -0.03 0.00 -0.00 0.00 0.00 57.85 56.99 1yuu n ARG 96 Cb 0.29 1.27 -0.07 0.00 0.00 0.00 0.00 32.46 33.96 1yuu n ARG 96 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1yuu s LYS 97 N -2.04 0.23 0.00 -0.14 2.36 -1.26 -5.09 119.74 113.80 1yuu s LYS 97 Ca 0.09 0.33 0.00 0.00 -2.55 0.00 0.00 55.97 53.84 1yuu s LYS 97 Cb -0.02 0.08 0.00 0.00 -1.05 0.00 0.00 37.83 36.84 1yuu s LYS 97 CO 0.05 -0.04 0.26 1.17 1.55 0.00 0.00 175.35 178.35