#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 0.20 0.00 3.04 0.00 -1.26 -4.81 121.76 118.93 1yuu s ALA 2 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1yuu s ALA 2 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1yuu s ALA 2 CO 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 175.76 172.07 1yuu n ALA 3 N -4.85 0.00 -1.80 0.00 0.00 -1.26 -5.09 120.51 107.51 1yuu n ALA 3 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1yuu n ALA 3 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.56 4.17 -0.36 0.00 8.01 -1.26 -4.91 118.70 122.79 1yuu s GLU 4 Ca 0.00 2.49 -0.29 0.00 0.01 0.00 0.00 54.97 57.18 1yuu s GLU 4 Cb 0.00 -3.05 -0.00 0.00 -4.31 0.00 0.00 34.13 26.77 1yuu s GLU 4 CO 0.00 -0.55 1.59 -1.25 0.01 0.00 0.00 175.26 175.06 1yuu s PRO 5 N -0.63 3.50 0.76 0.39 0.04 -1.26 -5.00 135.00 132.79 1yuu s PRO 5 Ca 0.61 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1yuu s PRO 5 Cb -0.46 -4.09 0.05 0.00 0.04 0.00 0.00 34.50 30.04 1yuu s PRO 5 CO 0.48 -1.65 1.09 -0.51 0.04 0.00 0.00 177.00 176.45 1yuu s LEU 6 N 5.98 3.07 0.86 -3.56 1.43 -1.26 -5.04 118.68 120.15 1yuu s LEU 6 Ca 0.70 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 1yuu s LEU 6 Cb -0.18 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.62 1yuu s LEU 6 CO 0.33 -1.93 1.10 0.28 0.23 0.00 0.00 176.35 176.36 1yuu s THR 7 N -2.89 2.74 0.16 5.49 -1.32 -1.26 -4.70 115.64 113.86 1yuu s THR 7 Ca 0.61 0.24 -0.16 0.00 -1.21 0.00 0.00 61.69 61.18 1yuu s THR 7 Cb -0.17 -2.88 0.03 0.00 -1.51 0.00 0.00 72.50 67.97 1yuu s THR 7 CO 0.55 -0.32 1.76 -0.08 -2.21 0.00 0.00 174.62 174.33 1yuu h GLU 8 N -1.34 0.33 0.62 7.08 4.81 -1.98 0.14 114.58 124.24 1yuu h GLU 8 Ca -0.49 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 1yuu h GLU 8 Cb 1.28 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1yuu h GLU 8 CO 0.58 0.22 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.58 1yuu h LEU 9 N 0.34 -1.10 -0.25 1.64 4.07 -1.98 0.20 115.31 118.23 1yuu h LEU 9 Ca 0.17 0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.26 1yuu h LEU 9 Cb 0.12 0.34 -0.08 0.00 1.08 0.00 0.00 40.66 42.12 1yuu h LEU 9 CO -0.15 -0.64 -0.38 -0.33 -1.08 0.00 0.00 178.44 175.86 1yuu h GLU 10 N -1.00 -0.37 -0.22 1.13 5.08 -1.85 0.78 114.58 118.13 1yuu h GLU 10 Ca -0.08 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1yuu h GLU 10 Cb 0.83 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 1yuu h GLU 10 CO 0.05 -0.25 -0.20 1.49 -1.00 0.00 0.00 179.01 179.11 1yuu h GLU 11 N -0.38 -0.20 -0.27 2.33 4.57 -0.64 0.87 114.58 120.86 1yuu h GLU 11 Ca 0.12 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1yuu h GLU 11 Cb 0.58 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1yuu h GLU 11 CO -0.46 -0.13 -0.04 0.66 -1.18 0.00 0.00 179.01 177.86 1yuu h SER 12 N -0.20 0.51 -0.49 1.04 4.64 -0.06 0.12 113.55 119.10 1yuu h SER 12 Ca 0.13 -0.35 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1yuu h SER 12 Cb 0.40 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1yuu h SER 12 CO -0.34 0.74 0.19 0.16 -0.87 0.00 0.00 176.83 176.70 1yuu h ILE 13 N 0.27 1.21 0.79 0.95 -0.00 -0.66 -1.77 117.51 118.31 1yuu h ILE 13 Ca 0.07 -0.69 -0.04 0.00 -0.00 0.00 0.00 64.86 64.20 1yuu h ILE 13 Cb 0.50 0.59 0.01 0.00 -0.00 0.00 0.00 36.82 37.92 1yuu h ILE 13 CO 0.02 0.27 -0.38 -0.08 -0.00 0.00 0.00 178.15 177.98 1yuu h GLU 14 N 0.78 -1.03 -0.84 0.16 4.22 -0.48 0.46 114.58 117.85 1yuu h GLU 14 Ca 0.18 0.07 0.14 0.00 0.08 0.00 0.00 59.36 59.83 1yuu h GLU 14 Cb 0.20 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1yuu h GLU 14 CO -0.01 -0.68 0.55 0.00 -2.18 0.00 0.00 179.01 176.68 1yuu h THR 15 N -1.07 0.84 -0.03 0.32 1.03 -0.22 0.29 112.91 114.06 1yuu h THR 15 Ca -0.11 -0.21 -0.06 0.00 -0.01 0.00 0.00 66.41 66.02 1yuu h THR 15 Cb 0.82 0.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 1yuu h THR 15 CO 0.18 0.11 -0.22 -0.37 -0.01 0.00 0.00 175.52 175.22 1yuu h VAL 16 N 0.62 1.48 -0.46 0.00 -1.51 -1.32 -2.79 116.25 112.28 1yuu h VAL 16 Ca 0.42 -1.74 0.09 0.00 -1.23 0.00 0.00 66.70 64.24 1yuu h VAL 16 Cb 0.72 2.51 -0.09 0.00 -2.13 0.00 0.00 31.29 32.30 1yuu h VAL 16 CO -0.17 0.48 -0.13 0.58 -1.23 0.00 0.00 177.57 177.10 1yuu h VAL 17 N -0.38 0.52 -0.58 7.19 2.07 0.16 0.13 116.25 125.37 1yuu h VAL 17 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1yuu h VAL 17 Cb 0.90 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1yuu h VAL 17 CO 0.04 0.00 0.38 0.00 0.02 0.00 0.00 177.57 178.02 1yuu h THR 18 N -0.02 1.15 -0.24 2.57 1.03 -0.70 0.24 112.91 116.94 1yuu h THR 18 Ca 0.22 -0.27 0.06 0.00 -0.01 0.00 0.00 66.41 66.41 1yuu h THR 18 Cb 0.35 0.30 -0.06 0.00 -1.07 0.00 0.00 68.15 67.67 1yuu h THR 18 CO -0.48 0.14 -0.17 0.74 -0.01 0.00 0.00 175.52 175.74 1yuu h THR 19 N 0.78 0.51 0.31 0.00 2.02 -0.87 0.80 112.91 116.47 1yuu h THR 19 Ca 0.21 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 1yuu h THR 19 Cb -0.09 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1yuu h THR 19 CO -0.05 0.00 -0.31 -0.26 0.37 0.00 0.00 175.52 175.28 1yuu h PHE 20 N -0.16 -0.82 -0.27 3.16 0.04 -0.26 -1.98 116.94 116.64 1yuu h PHE 20 Ca 0.14 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 1yuu h PHE 20 Cb 0.37 0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1yuu h PHE 20 CO -0.34 -0.44 -0.11 0.35 -0.60 0.00 0.00 178.31 177.17 1yuu h PHE 21 N -0.64 0.64 0.45 -0.55 3.57 -0.11 0.37 116.94 120.67 1yuu h PHE 21 Ca -0.02 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1yuu h PHE 21 Cb 0.59 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1yuu h PHE 21 CO -0.18 0.79 -0.41 1.79 -2.23 0.00 0.00 178.31 178.07 1yuu h THR 22 N 0.30 0.18 -0.95 4.41 1.35 -0.92 -2.87 112.91 114.42 1yuu h THR 22 Ca 0.06 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.08 1yuu h THR 22 Cb 0.61 0.18 -0.09 0.00 -1.73 0.00 0.00 68.15 67.11 1yuu h THR 22 CO 0.04 0.00 0.56 0.15 -0.25 0.00 0.00 175.52 176.01 1yuu h PHE 23 N -0.87 0.99 0.00 4.73 3.57 -0.88 -0.87 116.94 123.62 1yuu h PHE 23 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1yuu h PHE 23 Cb 0.76 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1yuu h PHE 23 CO -0.20 0.29 0.00 0.00 -2.23 0.00 0.00 178.31 176.17 1yuu h ALA 24 N 1.58 1.00 -0.04 2.41 0.00 -0.05 0.74 119.26 124.90 1yuu h ALA 24 Ca 0.51 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.43 1yuu h ALA 24 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1yuu h ALA 24 CO -0.34 -0.00 0.03 0.07 0.00 0.00 0.00 179.25 179.02 1yuu h ARG 25 N 0.00 0.00 -0.57 0.00 -0.00 -1.05 -3.31 114.38 109.45 1yuu h ARG 25 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.03 1yuu h ARG 25 Cb 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 29.90 1yuu h ARG 25 CO 0.00 0.00 -0.41 0.37 -0.00 0.00 0.00 179.97 179.93 1yuu h GLN 26 N 0.00 -0.09 -5.17 0.08 5.75 -1.03 -3.44 115.11 111.21 1yuu h GLN 26 Ca 0.02 0.01 -0.62 0.00 -0.15 0.00 0.00 58.65 57.90 1yuu h GLN 26 Cb 0.09 0.02 -0.13 0.00 1.07 0.00 0.00 27.48 28.53 1yuu h GLN 26 CO -0.00 -0.06 -0.52 -1.21 -2.65 0.00 0.00 178.83 174.39 1yuu s GLU 27 N -4.81 2.06 0.00 1.69 2.02 -1.26 -5.08 118.70 113.32 1yuu s GLU 27 Ca -0.09 -2.28 0.00 0.00 0.02 0.00 0.00 54.97 52.62 1yuu s GLU 27 Cb 0.07 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 33.14 1yuu s GLU 27 CO 0.44 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1yuu n GLY 28 N -1.09 0.00 2.22 -1.39 0.00 -1.26 -4.41 105.19 99.26 1yuu n GLY 28 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -3.99 -0.47 1.61 3.00 -1.26 -4.63 116.66 110.91 1yuu n ARG 29 Ca 0.00 3.04 -0.14 0.00 -0.01 0.00 0.00 57.85 60.74 1yuu n ARG 29 Cb 0.00 -4.08 -0.01 0.00 0.00 0.00 0.00 32.46 28.37 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1yuu n LYS 30 N 1.43 1.33 0.10 5.56 2.85 -1.25 -3.19 118.16 124.99 1yuu n LYS 30 Ca -0.16 -1.11 0.00 0.00 -1.05 0.00 0.00 58.31 56.00 1yuu n LYS 30 Cb 0.24 -2.29 0.00 0.00 -0.65 0.00 0.00 35.03 32.34 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1yuu n ASP 31 N 4.50 -1.81 -4.90 -5.58 8.00 -1.26 -4.81 116.55 110.70 1yuu n ASP 31 Ca 0.28 0.44 -0.28 0.00 0.71 0.00 0.00 54.79 55.94 1yuu n ASP 31 Cb 0.08 1.92 -0.00 0.00 -0.02 0.00 0.00 41.12 43.10 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1yuu s SER 32 N -1.52 6.27 0.52 -2.24 1.04 -1.19 -4.69 113.70 111.90 1yuu s SER 32 Ca 0.00 1.05 0.09 0.00 0.48 0.00 0.00 55.95 57.58 1yuu s SER 32 Cb 0.00 -2.30 0.06 0.00 0.10 0.00 0.00 66.02 63.88 1yuu s SER 32 CO 0.00 -0.64 0.71 -0.76 0.98 0.00 0.00 173.24 173.54 1yuu s LEU 33 N -4.80 3.29 0.35 2.42 2.01 -0.38 -4.72 118.68 116.86 1yuu s LEU 33 Ca 0.49 -0.71 0.03 0.00 0.01 0.00 0.00 54.13 53.95 1yuu s LEU 33 Cb -0.10 -1.97 -0.01 0.00 0.01 0.00 0.00 46.19 44.11 1yuu s LEU 33 CO 0.46 -1.14 0.40 -0.55 1.01 0.00 0.00 176.35 176.53 1yuu s SER 34 N -4.55 1.39 0.07 2.29 0.15 -1.26 -0.40 113.70 111.39 1yuu s SER 34 Ca 0.59 -1.66 -0.20 0.00 0.70 0.00 0.00 55.95 55.38 1yuu s SER 34 Cb -0.07 0.63 -0.07 0.00 -1.71 0.00 0.00 66.02 64.80 1yuu s SER 34 CO 0.37 -1.22 1.33 0.58 1.20 0.00 0.00 173.24 175.50 1yuu h VAL 35 N 2.09 0.00 0.05 4.45 2.07 -2.00 0.36 116.25 123.28 1yuu h VAL 35 Ca -0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1yuu h VAL 35 Cb 1.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1yuu h VAL 35 CO 0.37 0.00 -0.02 -1.13 0.02 0.00 0.00 177.57 176.80 1yuu h ASN 36 N -0.32 -0.06 -0.95 0.57 -1.24 -1.98 -0.08 115.58 111.52 1yuu h ASN 36 Ca 0.03 -0.30 0.18 0.00 0.71 0.00 0.00 56.30 56.92 1yuu h ASN 36 Cb 0.39 0.02 -0.18 0.00 0.73 0.00 0.00 38.32 39.28 1yuu h ASN 36 CO -0.29 0.27 -0.26 -0.62 -1.29 0.00 0.00 177.43 175.25 1yuu n GLU 37 N -4.97 -0.11 0.07 6.67 1.02 -1.17 -0.52 120.64 121.65 1yuu n GLU 37 Ca -0.08 1.48 -0.13 0.00 -0.02 0.00 0.00 57.16 58.41 1yuu n GLU 37 Cb 0.19 -2.21 -0.08 0.00 -0.02 0.00 0.00 31.44 29.32 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 -0.15 -0.82 -0.32 3.57 -0.03 -3.09 116.94 116.10 1yuu h PHE 38 Ca 0.44 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.99 1yuu h PHE 38 Cb 0.67 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1yuu h PHE 38 CO -0.75 0.13 0.50 -0.22 -2.23 0.00 0.00 178.31 175.73 1yuu h LYS 39 N -0.43 0.87 -0.89 1.11 3.64 0.95 0.88 116.57 122.71 1yuu h LYS 39 Ca -0.02 -0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.49 1yuu h LYS 39 Cb 0.35 -0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 31.86 1yuu h LYS 39 CO 0.03 0.58 0.45 0.93 -2.27 0.00 0.00 179.45 179.16 1yuu h GLU 40 N 0.90 0.53 -0.17 1.90 4.39 -0.80 0.12 114.58 121.45 1yuu h GLU 40 Ca 0.36 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 1yuu h GLU 40 Cb 0.18 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1yuu h GLU 40 CO -0.18 0.35 0.09 1.25 -1.16 0.00 0.00 179.01 179.37 1yuu h LEU 41 N 0.55 0.21 -0.09 1.33 5.85 -0.74 0.14 115.31 122.57 1yuu h LEU 41 Ca 0.52 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 59.07 1yuu h LEU 41 Cb 0.86 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1yuu h LEU 41 CO -0.43 0.23 -0.30 -0.37 -0.34 0.00 0.00 178.44 177.22 1yuu h VAL 42 N 0.18 1.41 -0.33 1.05 -1.51 -1.32 0.30 116.25 116.03 1yuu h VAL 42 Ca 0.06 -1.67 -0.03 0.00 -1.23 0.00 0.00 66.70 63.83 1yuu h VAL 42 Cb 0.06 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1yuu h VAL 42 CO -0.01 0.48 0.07 0.74 -1.23 0.00 0.00 177.57 177.63 1yuu h THR 43 N -0.11 1.22 0.00 7.19 2.02 -0.73 -2.75 112.91 119.76 1yuu h THR 43 Ca -0.01 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1yuu h THR 43 Cb 0.94 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1yuu h THR 43 CO 0.06 0.25 -0.06 -0.61 0.37 0.00 0.00 175.52 175.54 1yuu h GLN 44 N 0.37 0.00 -2.11 6.66 4.15 -0.75 -3.41 115.11 120.02 1yuu h GLN 44 Ca 0.10 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.85 1yuu h GLN 44 Cb 0.31 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 27.64 1yuu h GLN 44 CO 0.00 0.00 0.02 1.04 -1.93 0.00 0.00 178.83 177.96 1yuu n GLN 45 N -4.67 3.85 -2.84 1.69 3.00 0.09 -4.77 117.38 113.73 1yuu n GLN 45 Ca -0.01 -4.59 -0.04 0.00 -0.01 0.00 0.00 57.00 52.34 1yuu n GLN 45 Cb 0.03 -2.31 0.00 0.00 0.00 0.00 0.00 30.24 27.96 1yuu n GLN 45 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1yuu s LEU 46 N -3.81 -1.33 0.01 1.08 2.96 -1.04 -4.76 118.68 111.79 1yuu s LEU 46 Ca 0.46 -1.69 -0.20 0.00 -0.22 0.00 0.00 54.13 52.49 1yuu s LEU 46 Cb 0.29 1.80 -0.22 0.00 0.50 0.00 0.00 46.19 48.56 1yuu s LEU 46 CO -0.18 -0.07 1.12 1.55 -1.32 0.00 0.00 176.35 177.45 1yuu h PRO 47 N 5.26 0.41 0.00 0.98 0.13 -1.86 -3.43 132.00 133.48 1yuu h PRO 47 Ca 0.07 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1yuu h PRO 47 Cb 1.11 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1yuu h PRO 47 CO 0.04 1.08 0.00 1.58 -0.23 0.00 0.00 178.00 180.46 1yuu n HIS 48 N -4.25 0.00 0.00 1.56 -0.00 -1.26 -4.84 115.22 106.44 1yuu n HIS 48 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 1yuu n HIS 48 Cb 0.64 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.51 1yuu n HIS 48 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1yuu n LEU 49 N -1.89 0.00 0.10 0.27 7.94 -1.26 0.77 117.00 122.93 1yuu n LEU 49 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 1yuu n LEU 49 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1yuu n LEU 49 CO 0.00 0.00 0.31 -0.07 -1.11 0.00 0.00 177.39 176.52 1yuu h LEU 50 N 0.00 0.00 0.00 -1.96 3.38 -1.95 -3.48 115.31 111.30 1yuu h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yuu h LEU 50 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1yuu h LEU 50 CO 0.00 0.75 0.00 0.29 0.09 0.00 0.00 178.44 179.57 1yuu n LYS 51 N -3.31 0.00 -3.45 1.13 4.76 0.23 -4.93 118.16 112.59 1yuu n LYS 51 Ca 0.01 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.27 1yuu n LYS 51 Cb 0.83 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 34.10 1yuu n LYS 51 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1yuu n ASP 52 N -3.33 -2.81 0.00 4.39 2.03 -1.26 -4.85 116.55 110.72 1yuu n ASP 52 Ca 0.00 -0.68 0.08 0.00 0.52 0.00 0.00 54.79 54.70 1yuu n ASP 52 Cb 0.00 -4.92 0.44 0.00 -0.72 0.00 0.00 41.12 35.92 1yuu n ASP 52 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1yuu n VAL 53 N -3.99 0.12 -0.02 5.18 0.31 -1.26 -3.43 118.33 115.24 1yuu n VAL 53 Ca -0.25 0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 1yuu n VAL 53 Cb 0.66 -0.79 -0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1yuu n VAL 53 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1yuu h GLY 54 N 2.39 0.00 -5.92 2.92 0.00 -2.01 -3.42 103.07 97.04 1yuu h GLY 54 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1yuu h GLY 54 CO 0.00 0.00 3.08 -1.26 0.00 0.00 0.00 176.54 178.36 1yuu n SER 55 N -3.06 4.37 0.10 0.19 2.88 -1.22 -4.61 113.62 112.27 1yuu n SER 55 Ca -0.01 -2.76 -0.18 0.00 -1.33 0.00 0.00 58.87 54.59 1yuu n SER 55 Cb 0.05 -1.53 -0.14 0.00 -0.75 0.00 0.00 64.21 61.83 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 10.14 0.49 -0.72 2.46 7.12 -1.81 -3.37 115.31 129.62 1yuu h LEU 56 Ca 0.59 -0.56 0.10 0.00 0.13 0.00 0.00 57.88 58.14 1yuu h LEU 56 Cb 0.58 -0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 40.47 1yuu h LEU 56 CO 1.87 1.45 0.35 -2.24 -0.13 0.00 0.00 178.44 179.74 1yuu h ASP 57 N 0.09 0.43 -0.77 1.25 2.03 -1.96 0.12 116.42 117.59 1yuu h ASP 57 Ca -0.19 0.07 0.05 0.00 -0.73 0.00 0.00 57.03 56.23 1yuu h ASP 57 Cb 2.02 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 40.47 1yuu h ASP 57 CO 0.20 0.23 0.47 1.05 -1.03 0.00 0.00 179.24 180.17 1yuu h GLU 58 N 0.57 0.86 -0.05 4.15 4.11 -1.97 0.23 114.58 122.48 1yuu h GLU 58 Ca 0.37 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.74 1yuu h GLU 58 Cb 0.43 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1yuu h GLU 58 CO -0.30 0.57 0.03 0.87 0.07 0.00 0.00 179.01 180.25 1yuu h LYS 59 N 0.88 0.07 -0.72 1.06 6.56 -1.17 -1.86 116.57 121.40 1yuu h LYS 59 Ca 0.33 -0.01 0.15 0.00 -1.06 0.00 0.00 60.65 60.07 1yuu h LYS 59 Cb 0.12 -0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 31.66 1yuu h LYS 59 CO -0.16 0.14 0.18 1.98 -2.06 0.00 0.00 179.45 179.53 1yuu h MET 60 N -0.01 0.27 -0.65 3.15 4.05 -0.04 0.64 114.93 122.34 1yuu h MET 60 Ca 0.02 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1yuu h MET 60 Cb 0.09 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 1yuu h MET 60 CO -0.00 0.18 0.26 0.87 0.23 0.00 0.00 176.91 178.45 1yuu h LYS 61 N 0.28 0.94 -0.95 0.39 1.57 -0.30 0.54 116.57 119.04 1yuu h LYS 61 Ca 0.40 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 1yuu h LYS 61 Cb 0.67 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 1yuu h LYS 61 CO -0.49 0.77 0.61 1.03 -0.57 0.00 0.00 179.45 180.79 1yuu h SER 62 N 0.93 1.00 0.00 0.86 0.87 -0.09 -3.23 113.55 113.89 1yuu h SER 62 Ca 0.22 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1yuu h SER 62 Cb 0.17 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1yuu h SER 62 CO -0.02 0.67 0.00 0.18 -0.53 0.00 0.00 176.83 177.13 1yuu n LEU 63 N -4.51 1.85 -3.61 2.23 4.77 -0.27 -4.48 117.00 112.98 1yuu n LEU 63 Ca 0.13 0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.91 1yuu n LEU 63 Cb 0.12 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1yuu n LEU 63 CO 0.33 -0.06 2.68 -0.67 -1.33 0.00 0.00 177.39 178.35 1yuu n ASP 64 N -0.67 4.46 0.33 -1.43 2.03 0.17 -4.75 116.55 116.68 1yuu n ASP 64 Ca 0.00 -2.74 0.19 0.00 0.52 0.00 0.00 54.79 52.76 1yuu n ASP 64 Cb 0.00 -1.51 1.02 0.00 -0.72 0.00 0.00 41.12 39.91 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 3.90 0.00 -0.00 5.18 -1.51 -1.78 0.36 116.25 122.40 1yuu h VAL 65 Ca 0.59 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.06 1yuu h VAL 65 Cb 0.56 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1yuu h VAL 65 CO 1.86 0.00 -0.61 -0.46 -1.23 0.00 0.00 177.57 177.14 1yuu n ASN 66 N -2.95 0.67 -3.79 4.19 0.23 -1.26 -5.01 115.26 107.34 1yuu n ASN 66 Ca -0.02 -0.48 -0.31 0.00 -0.53 0.00 0.00 54.58 53.24 1yuu n ASN 66 Cb 0.19 0.43 0.02 0.00 -2.08 0.00 0.00 39.78 38.34 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 -1.44 -1.89 0.00 -3.83 3.00 0.12 -4.91 117.38 108.43 1yuu n GLN 67 Ca 0.06 0.42 0.11 0.00 -0.01 0.00 0.00 57.00 57.57 1yuu n GLN 67 Cb 0.34 -4.16 0.06 0.00 0.00 0.00 0.00 30.24 26.48 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1yuu n ASP 68 N -2.74 0.79 -1.37 1.08 5.75 -1.26 -4.97 116.55 113.83 1yuu n ASP 68 Ca -0.17 -0.67 -0.17 0.00 -0.01 0.00 0.00 54.79 53.77 1yuu n ASP 68 Cb 0.62 0.64 -0.07 0.00 -1.03 0.00 0.00 41.12 41.28 1yuu n ASP 68 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1yuu n SER 69 N -1.47 -5.07 -3.99 -1.12 7.64 -1.26 -4.97 113.62 103.37 1yuu n SER 69 Ca 0.05 0.39 -0.31 0.00 1.01 0.00 0.00 58.87 60.01 1yuu n SER 69 Cb 0.33 -4.10 -0.16 0.00 -1.01 0.00 0.00 64.21 59.28 1yuu n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1yuu s GLU 70 N -3.56 1.93 -0.87 1.43 2.12 -1.26 -4.13 118.70 114.36 1yuu s GLU 70 Ca 0.00 -1.04 -0.22 0.00 0.36 0.00 0.00 54.97 54.07 1yuu s GLU 70 Cb 0.00 -2.62 0.08 0.00 0.26 0.00 0.00 34.13 31.84 1yuu s GLU 70 CO 0.00 -0.54 1.21 -0.51 -0.54 0.00 0.00 175.26 174.89 1yuu s LEU 71 N 1.31 4.15 0.80 2.70 2.01 0.47 -4.95 118.68 125.16 1yuu s LEU 71 Ca -0.05 -1.40 -0.14 0.00 0.01 0.00 0.00 54.13 52.55 1yuu s LEU 71 Cb -0.18 -2.48 0.02 0.00 0.01 0.00 0.00 46.19 43.56 1yuu s LEU 71 CO -0.07 -1.40 0.80 0.29 1.01 0.00 0.00 176.35 176.99 1yuu n LYS 72 N 7.95 0.17 -0.17 1.70 4.01 -1.26 -1.24 118.16 129.31 1yuu n LYS 72 Ca 0.18 0.12 -0.08 0.00 -0.51 0.00 0.00 58.31 58.02 1yuu n LYS 72 Cb 0.49 -2.10 -0.02 0.00 -0.51 0.00 0.00 35.03 32.88 1yuu n LYS 72 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 1yuu h PHE 73 N -0.77 -1.11 -0.77 2.13 3.04 -1.95 0.37 116.94 117.87 1yuu h PHE 73 Ca -0.46 0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.57 1yuu h PHE 73 Cb 1.32 0.56 -0.04 0.00 2.56 0.00 0.00 35.95 40.35 1yuu h PHE 73 CO 0.40 -0.41 0.51 -0.97 -2.02 0.00 0.00 178.31 175.82 1yuu h ASN 74 N -0.24 0.89 -0.76 0.41 -1.24 -1.97 0.56 115.58 113.23 1yuu h ASN 74 Ca 0.18 -0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.18 1yuu h ASN 74 Cb 0.56 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.35 1yuu h ASN 74 CO -0.63 0.65 0.50 -0.08 -1.29 0.00 0.00 177.43 176.57 1yuu h GLU 75 N 1.04 0.99 0.18 6.67 4.81 -0.95 -0.98 114.58 126.33 1yuu h GLU 75 Ca 0.28 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1yuu h GLU 75 Cb -0.11 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.05 1yuu h GLU 75 CO -0.06 0.65 -0.08 -0.92 -0.73 0.00 0.00 179.01 177.87 1yuu h TYR 76 N 1.02 -0.22 -0.96 0.92 3.20 -0.26 -3.21 116.97 117.47 1yuu h TYR 76 Ca 0.28 -0.01 0.30 0.00 3.14 0.00 0.00 58.73 62.45 1yuu h TYR 76 Cb -0.11 0.07 -0.16 0.00 1.54 0.00 0.00 36.73 38.07 1yuu h TYR 76 CO -0.02 0.11 0.33 2.35 -1.64 0.00 0.00 178.16 179.29 1yuu h TRP 77 N -0.57 0.50 -0.85 -3.82 2.91 -0.25 -2.39 115.95 111.48 1yuu h TRP 77 Ca -0.02 0.05 0.17 0.00 1.13 0.00 0.00 58.89 60.21 1yuu h TRP 77 Cb 0.43 -0.06 -0.16 0.00 -0.51 0.00 0.00 29.16 28.86 1yuu h TRP 77 CO 0.03 -0.31 -0.22 0.54 -1.03 0.00 0.00 178.44 177.45 1yuu n ARG 78 N -5.25 -0.09 -0.26 2.65 1.74 -0.43 0.12 116.66 115.13 1yuu n ARG 78 Ca 0.28 1.32 0.04 0.00 -0.77 0.00 0.00 57.85 58.72 1yuu n ARG 78 Cb 0.90 -1.98 0.12 0.00 -1.02 0.00 0.00 32.46 30.49 1yuu n ARG 78 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1yuu h LEU 79 N 0.00 -0.55 -0.82 0.55 5.85 -1.64 0.15 115.31 118.85 1yuu h LEU 79 Ca 0.40 0.22 -0.12 0.00 0.84 0.00 0.00 57.88 59.22 1yuu h LEU 79 Cb 0.61 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1yuu h LEU 79 CO -0.87 -0.23 -0.39 0.40 -0.34 0.00 0.00 178.44 177.01 1yuu h ILE 80 N 0.04 1.30 -0.47 4.05 5.03 -0.53 0.22 117.51 127.15 1yuu h ILE 80 Ca 0.39 -1.52 -0.03 0.00 -0.12 0.00 0.00 64.86 63.58 1yuu h ILE 80 Cb 0.65 1.59 -0.02 0.00 -3.03 0.00 0.00 36.82 36.01 1yuu h ILE 80 CO -0.74 0.47 0.17 1.23 -0.68 0.00 0.00 178.15 178.60 1yuu h GLY 81 N 1.13 0.77 0.99 5.37 0.00 -0.58 -2.12 103.07 108.63 1yuu h GLY 81 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1yuu h GLY 81 CO 0.07 0.41 0.04 0.83 0.00 0.00 0.00 176.54 177.89 1yuu h GLU 82 N 0.62 0.09 -0.61 4.80 5.08 0.09 -3.08 114.58 121.58 1yuu h GLU 82 Ca 0.16 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.64 1yuu h GLU 82 Cb 0.22 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 1yuu h GLU 82 CO -0.01 0.06 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.97 1yuu h LEU 83 N 0.09 -0.31 -2.11 1.33 3.38 -0.26 0.42 115.31 117.84 1yuu h LEU 83 Ca 0.03 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1yuu h LEU 83 Cb -0.01 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1yuu h LEU 83 CO -0.01 -0.13 0.30 0.00 0.09 0.00 0.00 178.44 178.70 1yuu h ALA 84 N 1.56 1.96 0.00 1.53 0.00 -1.30 -0.73 119.26 122.29 1yuu h ALA 84 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1yuu h ALA 84 Cb 0.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1yuu h ALA 84 CO -0.54 -0.45 -0.08 -0.22 0.00 0.00 0.00 179.25 177.96 1yuu h LYS 85 N 0.00 0.00 -1.01 0.00 3.64 -0.32 -3.41 116.57 115.47 1yuu h LYS 85 Ca 0.14 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.75 1yuu h LYS 85 Cb 0.74 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.45 1yuu h LYS 85 CO -0.00 0.17 0.62 0.93 -2.27 0.00 0.00 179.45 178.90 1yuu h GLU 86 N -1.00 0.57 -1.02 1.90 4.39 0.71 0.22 114.58 120.36 1yuu h GLU 86 Ca -0.01 -0.03 0.25 0.00 0.34 0.00 0.00 59.36 59.91 1yuu h GLU 86 Cb 0.23 -0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 28.66 1yuu h GLU 86 CO -0.00 0.38 0.65 0.97 -1.16 0.00 0.00 179.01 179.84 1yuu h ILE 87 N 0.59 0.56 0.01 3.13 2.10 -1.42 -2.98 117.51 119.50 1yuu h ILE 87 Ca 0.60 -0.16 -0.41 0.00 1.08 0.00 0.00 64.86 65.98 1yuu h ILE 87 Cb 1.18 0.06 -0.06 0.00 -1.09 0.00 0.00 36.82 36.91 1yuu h ILE 87 CO -0.39 0.08 -2.38 -1.14 -1.08 0.00 0.00 178.15 173.24 1yuu n ARG 88 N -4.66 0.63 -0.99 2.19 0.63 0.49 -4.65 116.66 110.30 1yuu n ARG 88 Ca 0.25 0.24 -0.33 0.00 -0.92 0.00 0.00 57.85 57.08 1yuu n ARG 88 Cb 0.82 -1.54 -0.03 0.00 0.45 0.00 0.00 32.46 32.15 1yuu n ARG 88 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1yuu n LYS 89 N -3.77 1.89 0.05 -0.14 4.81 0.47 -4.62 118.16 116.85 1yuu n LYS 89 Ca -0.47 -1.71 -0.20 0.00 -0.87 0.00 0.00 58.31 55.06 1yuu n LYS 89 Cb 0.93 -2.71 -0.14 0.00 0.02 0.00 0.00 35.03 33.13 1yuu n LYS 89 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1yuu h LYS 90 N 6.98 0.38 0.00 1.64 1.63 -1.82 -3.43 116.57 121.95 1yuu h LYS 90 Ca 0.47 -0.56 -0.21 0.00 -0.85 0.00 0.00 60.65 59.51 1yuu h LYS 90 Cb 0.42 0.20 -0.14 0.00 -0.60 0.00 0.00 32.23 32.10 1yuu h LYS 90 CO 1.71 1.24 -0.41 1.17 -3.45 0.00 0.00 179.45 179.71 1yuu n LYS 91 N -4.08 0.75 -1.20 1.90 3.00 -1.26 -5.07 118.16 112.20 1yuu n LYS 91 Ca -0.13 -1.64 -0.35 0.00 -0.00 0.00 0.00 58.31 56.19 1yuu n LYS 91 Cb 0.83 -1.18 -0.02 0.00 0.00 0.00 0.00 35.03 34.65 1yuu n LYS 91 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1yuu n ASP 92 N 1.27 5.46 0.00 3.14 5.75 -1.26 -3.26 116.55 127.64 1yuu n ASP 92 Ca 0.07 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 1yuu n ASP 92 Cb 0.66 -1.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 1yuu n ASP 92 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yuu n LEU 93 N 5.00 0.00 -0.06 -2.12 -0.00 -1.26 -4.95 117.00 113.61 1yuu n LEU 93 Ca 0.58 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 56.38 1yuu n LEU 93 Cb 0.26 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.56 1yuu n LEU 93 CO 0.85 -0.38 -0.41 0.11 -0.00 0.00 0.00 177.39 177.56 1yuu h LYS 94 N 0.00 0.09 0.00 1.47 1.57 -2.02 -3.47 116.57 114.21 1yuu h LYS 94 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1yuu h LYS 94 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1yuu h LYS 94 CO 0.00 1.08 0.00 -0.89 -0.57 0.00 0.00 179.45 179.07 1yuu n ILE 95 N -4.22 0.00 0.00 1.86 5.41 -1.21 -4.80 119.36 116.39 1yuu n ILE 95 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1yuu n ILE 95 Cb 0.75 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.68 1yuu n ILE 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1yuu n ARG 96 N 0.00 0.00 -3.65 0.38 0.00 -1.26 -4.66 116.66 107.47 1yuu n ARG 96 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1yuu n ARG 96 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 32.46 32.38 1yuu n ARG 96 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1yuu s LYS 97 N 0.00 0.06 0.00 -0.14 1.02 -1.26 -5.30 119.74 114.12 1yuu s LYS 97 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1yuu s LYS 97 Cb 0.00 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1yuu s LYS 97 CO 0.00 -0.01 0.00 0.36 -0.92 0.00 0.00 175.35 174.78