#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuu n ALA 2 N 0.00 6.76 -3.66 3.04 0.00 -1.26 -4.70 120.51 120.68 1yuu n ALA 2 Ca 0.00 -3.91 -0.27 0.00 0.00 0.00 0.00 53.44 49.26 1yuu n ALA 2 Cb 0.00 -3.08 0.04 0.00 0.00 0.00 0.00 19.45 16.41 1yuu n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yuu n ALA 3 N 3.05 -2.40 -0.03 0.00 0.00 -1.26 -4.97 120.51 114.90 1yuu n ALA 3 Ca 0.64 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.87 1yuu n ALA 3 Cb 0.27 -3.72 -0.01 0.00 0.00 0.00 0.00 19.45 15.99 1yuu n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yuu n GLU 4 N -4.10 0.17 -1.35 0.00 4.71 -1.26 -4.91 120.64 113.89 1yuu n GLU 4 Ca -0.15 0.32 -0.31 0.00 -0.01 0.00 0.00 57.16 57.02 1yuu n GLU 4 Cb 0.62 -1.06 0.09 0.00 -1.01 0.00 0.00 31.44 30.08 1yuu n GLU 4 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1yuu s PRO 5 N -1.49 2.12 0.00 3.49 0.04 -1.26 -5.08 135.00 132.82 1yuu s PRO 5 Ca -0.06 0.96 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1yuu s PRO 5 Cb 0.01 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1yuu s PRO 5 CO 0.09 -1.68 0.00 1.28 0.04 0.00 0.00 177.00 176.73 1yuu n LEU 6 N -3.52 0.00 -4.76 -3.56 4.77 -1.26 -5.11 117.00 103.56 1yuu n LEU 6 Ca 0.08 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.67 1yuu n LEU 6 Cb 0.54 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1yuu n LEU 6 CO 0.55 0.00 1.02 -0.89 -1.33 0.00 0.00 177.39 176.74 1yuu s THR 7 N 0.26 2.06 0.04 -5.08 2.01 -1.26 -4.75 115.64 108.92 1yuu s THR 7 Ca 0.00 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.97 1yuu s THR 7 Cb 0.00 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 1yuu s THR 7 CO 0.00 0.00 0.91 1.21 -0.69 0.00 0.00 174.62 176.05 1yuu n GLU 8 N -0.66 -0.11 0.09 4.92 2.13 -1.26 -0.53 120.64 125.22 1yuu n GLU 8 Ca 0.08 0.90 0.03 0.00 0.66 0.00 0.00 57.16 58.83 1yuu n GLU 8 Cb 0.44 -1.34 0.40 0.00 0.27 0.00 0.00 31.44 31.20 1yuu n GLU 8 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1yuu h LEU 9 N 0.00 0.30 -0.39 4.31 3.38 -1.99 -1.67 115.31 119.24 1yuu h LEU 9 Ca 0.04 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1yuu h LEU 9 Cb 0.10 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1yuu h LEU 9 CO -0.23 0.38 -0.05 -0.33 0.09 0.00 0.00 178.44 178.30 1yuu h GLU 10 N 0.32 0.04 -0.44 1.13 5.08 -1.22 0.86 114.58 120.35 1yuu h GLU 10 Ca 0.07 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1yuu h GLU 10 Cb 0.27 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.41 1yuu h GLU 10 CO 0.01 0.03 -0.20 0.93 -1.00 0.00 0.00 179.01 178.77 1yuu h GLU 11 N 0.04 -0.11 0.31 2.33 4.39 0.11 0.33 114.58 122.00 1yuu h GLU 11 Ca 0.19 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1yuu h GLU 11 Cb 0.28 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1yuu h GLU 11 CO -0.36 -0.07 -0.15 0.77 -1.16 0.00 0.00 179.01 178.03 1yuu h SER 12 N -0.11 -0.36 -0.56 1.42 0.02 -0.85 0.16 113.55 113.27 1yuu h SER 12 Ca 0.21 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1yuu h SER 12 Cb 0.44 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1yuu h SER 12 CO -0.51 -0.24 0.08 0.16 -1.14 0.00 0.00 176.83 175.18 1yuu h ILE 13 N -0.44 1.25 0.01 3.27 -0.00 -0.59 -2.54 117.51 118.46 1yuu h ILE 13 Ca -0.04 -0.99 -0.00 0.00 -0.00 0.00 0.00 64.86 63.83 1yuu h ILE 13 Cb 0.34 0.70 0.00 0.00 -0.00 0.00 0.00 36.82 37.86 1yuu h ILE 13 CO 0.07 0.36 -0.01 -0.08 -0.00 0.00 0.00 178.15 178.50 1yuu h GLU 14 N 0.91 -0.02 -0.53 0.16 4.81 -0.78 -0.23 114.58 118.91 1yuu h GLU 14 Ca 0.18 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1yuu h GLU 14 Cb 0.41 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1yuu h GLU 14 CO 0.01 0.11 0.35 0.00 -0.73 0.00 0.00 179.01 178.75 1yuu h THR 15 N -0.14 1.06 0.07 0.32 1.03 -0.64 0.10 112.91 114.71 1yuu h THR 15 Ca -0.00 -0.21 -0.25 0.00 -0.01 0.00 0.00 66.41 65.94 1yuu h THR 15 Cb 0.13 0.41 0.02 0.00 -1.07 0.00 0.00 68.15 67.64 1yuu h THR 15 CO 0.00 0.11 -1.01 -0.37 -0.01 0.00 0.00 175.52 174.24 1yuu h VAL 16 N 0.60 1.34 -0.47 0.00 -1.51 -1.40 -2.95 116.25 111.86 1yuu h VAL 16 Ca 0.21 -2.33 0.08 0.00 -1.23 0.00 0.00 66.70 63.43 1yuu h VAL 16 Cb 0.10 2.65 -0.07 0.00 -2.13 0.00 0.00 31.29 31.84 1yuu h VAL 16 CO -0.05 0.70 0.09 0.58 -1.23 0.00 0.00 177.57 177.65 1yuu h VAL 17 N 0.15 0.74 -0.57 7.19 2.07 0.32 0.86 116.25 127.00 1yuu h VAL 17 Ca -0.15 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1yuu h VAL 17 Cb 1.70 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1yuu h VAL 17 CO 0.20 0.04 0.26 0.00 0.02 0.00 0.00 177.57 178.09 1yuu h THR 18 N 0.22 1.21 0.02 2.57 1.03 -0.94 0.17 112.91 117.18 1yuu h THR 18 Ca 0.23 -0.62 -0.00 0.00 -0.01 0.00 0.00 66.41 66.01 1yuu h THR 18 Cb 0.30 0.56 -0.00 0.00 -1.07 0.00 0.00 68.15 67.94 1yuu h THR 18 CO -0.31 0.25 -0.01 0.74 -0.01 0.00 0.00 175.52 176.18 1yuu h THR 19 N 0.78 0.98 -0.34 0.00 2.02 -1.22 0.26 112.91 115.39 1yuu h THR 19 Ca 0.20 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.44 1yuu h THR 19 Cb 0.15 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 67.45 1yuu h THR 19 CO -0.02 0.00 -0.43 0.15 0.37 0.00 0.00 175.52 175.59 1yuu h PHE 20 N -0.03 -1.25 -0.46 3.16 3.57 -0.68 -2.91 116.94 118.35 1yuu h PHE 20 Ca -0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1yuu h PHE 20 Cb 0.02 0.59 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1yuu h PHE 20 CO -0.08 -0.45 0.30 0.35 -2.23 0.00 0.00 178.31 176.20 1yuu h PHE 21 N -0.37 0.59 -0.22 0.41 3.57 0.04 0.16 116.94 121.12 1yuu h PHE 21 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1yuu h PHE 21 Cb 0.59 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1yuu h PHE 21 CO -0.59 0.39 0.07 0.00 -2.23 0.00 0.00 178.31 175.95 1yuu h THR 22 N 0.62 1.10 -0.22 4.41 1.03 -0.89 0.51 112.91 119.47 1yuu h THR 22 Ca 0.17 -0.32 -0.10 0.00 -0.01 0.00 0.00 66.41 66.15 1yuu h THR 22 Cb -0.05 0.85 -0.00 0.00 -1.07 0.00 0.00 68.15 67.88 1yuu h THR 22 CO -0.03 0.12 -0.26 -0.26 -0.01 0.00 0.00 175.52 175.07 1yuu h PHE 23 N 0.30 0.68 -1.00 0.00 0.04 -1.04 -3.34 116.94 112.59 1yuu h PHE 23 Ca 0.08 -0.22 0.22 0.00 2.80 0.00 0.00 57.97 60.85 1yuu h PHE 23 Cb 0.09 -0.14 -0.10 0.00 2.20 0.00 0.00 35.95 37.99 1yuu h PHE 23 CO 0.00 0.92 0.62 0.00 -0.60 0.00 0.00 178.31 179.25 1yuu h ALA 24 N 0.65 1.89 0.00 2.45 0.00 0.15 0.11 119.26 124.51 1yuu h ALA 24 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1yuu h ALA 24 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1yuu h ALA 24 CO 0.06 -0.29 -0.03 0.07 0.00 0.00 0.00 179.25 179.06 1yuu h ARG 25 N 0.60 0.00 -0.30 0.00 0.11 -1.55 -3.31 114.38 109.92 1yuu h ARG 25 Ca 0.59 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.72 1yuu h ARG 25 Cb 1.15 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.15 1yuu h ARG 25 CO -0.36 0.03 -0.47 0.37 0.10 0.00 0.00 179.97 179.65 1yuu h GLN 26 N 0.00 -0.41 -3.81 0.08 5.75 -0.91 -3.34 115.11 112.48 1yuu h GLN 26 Ca -0.00 0.03 -0.64 0.00 -0.15 0.00 0.00 58.65 57.88 1yuu h GLN 26 Cb 0.81 0.09 -0.41 0.00 1.07 0.00 0.00 27.48 29.04 1yuu h GLN 26 CO 0.00 -0.27 -0.67 -1.21 -2.65 0.00 0.00 178.83 174.04 1yuu s GLU 27 N -5.80 1.76 0.56 1.69 2.02 -1.26 -5.05 118.70 112.61 1yuu s GLU 27 Ca -0.15 -2.32 0.00 0.00 0.02 0.00 0.00 54.97 52.52 1yuu s GLU 27 Cb 0.10 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1yuu s GLU 27 CO 0.64 -1.05 0.00 0.41 0.02 0.00 0.00 175.26 175.28 1yuu n GLY 28 N 3.54 -0.57 1.58 -1.39 0.00 -1.25 -4.75 105.19 102.34 1yuu n GLY 28 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.39 -0.50 -0.50 1.61 5.12 -1.26 -4.47 116.66 115.26 1yuu n ARG 29 Ca 0.00 0.54 -0.01 0.00 -1.93 0.00 0.00 57.85 56.46 1yuu n ARG 29 Cb 0.12 -0.42 -0.01 0.00 -1.16 0.00 0.00 32.46 30.99 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1yuu n LYS 30 N 1.53 1.01 0.04 5.56 0.00 -1.25 -2.68 118.16 122.37 1yuu n LYS 30 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1yuu n LYS 30 Cb 0.06 -1.12 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1yuu n ASP 31 N 1.62 -0.63 -4.44 -5.58 8.00 -1.26 -4.77 116.55 109.49 1yuu n ASP 31 Ca 0.03 0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.37 1yuu n ASP 31 Cb 0.50 0.90 -0.14 0.00 -0.02 0.00 0.00 41.12 42.36 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 -2.78 3.86 -0.30 -2.24 1.04 -1.09 -3.57 113.70 108.61 1yuu s SER 32 Ca 0.00 -0.25 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 1yuu s SER 32 Cb 0.00 -0.82 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 1yuu s SER 32 CO 0.00 0.33 0.19 -0.76 0.98 0.00 0.00 173.24 173.98 1yuu s LEU 33 N -0.64 4.15 0.74 2.42 2.01 -0.09 -4.73 118.68 122.54 1yuu s LEU 33 Ca 0.10 -0.26 -0.05 0.00 0.01 0.00 0.00 54.13 53.93 1yuu s LEU 33 Cb -0.11 -2.09 0.11 0.00 0.01 0.00 0.00 46.19 44.12 1yuu s LEU 33 CO 0.01 -0.14 1.03 -0.44 1.01 0.00 0.00 176.35 177.82 1yuu s SER 34 N 1.71 4.35 0.12 2.29 0.01 -1.26 -0.94 113.70 119.97 1yuu s SER 34 Ca 0.06 -0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.11 1yuu s SER 34 Cb -0.17 -0.43 -0.06 0.00 0.21 0.00 0.00 66.02 65.57 1yuu s SER 34 CO 0.09 -1.87 1.75 -0.37 0.41 0.00 0.00 173.24 173.25 1yuu h VAL 35 N -0.67 0.97 -0.13 3.43 -1.51 -1.99 0.68 116.25 117.03 1yuu h VAL 35 Ca -0.40 -0.05 -0.04 0.00 -1.23 0.00 0.00 66.70 64.98 1yuu h VAL 35 Cb 1.28 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1yuu h VAL 35 CO 0.46 0.03 -0.06 -1.13 -1.23 0.00 0.00 177.57 175.64 1yuu h ASN 36 N 0.15 0.27 -0.94 4.19 -1.24 -1.98 0.11 115.58 116.15 1yuu h ASN 36 Ca 0.07 -0.41 0.24 0.00 0.71 0.00 0.00 56.30 56.91 1yuu h ASN 36 Cb 0.04 -0.07 -0.17 0.00 0.73 0.00 0.00 38.32 38.84 1yuu h ASN 36 CO -0.07 0.62 0.01 -0.33 -1.29 0.00 0.00 177.43 176.38 1yuu h GLU 37 N -0.08 0.04 0.69 6.67 5.08 -1.86 0.29 114.58 125.40 1yuu h GLU 37 Ca 0.03 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1yuu h GLU 37 Cb 0.52 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1yuu h GLU 37 CO 0.02 0.02 -0.51 0.35 -1.00 0.00 0.00 179.01 177.90 1yuu h PHE 38 N 0.04 -1.37 -0.90 4.33 3.57 -0.26 -3.23 116.94 119.11 1yuu h PHE 38 Ca 0.55 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 62.10 1yuu h PHE 38 Cb 1.09 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 40.28 1yuu h PHE 38 CO -0.49 -0.72 0.58 -0.22 -2.23 0.00 0.00 178.31 175.22 1yuu h LYS 39 N -1.14 1.05 -0.98 1.11 3.64 0.17 -0.78 116.57 119.64 1yuu h LYS 39 Ca -0.09 -0.06 0.25 0.00 -1.27 0.00 0.00 60.65 59.48 1yuu h LYS 39 Cb 0.94 -0.24 -0.13 0.00 -0.41 0.00 0.00 32.23 32.40 1yuu h LYS 39 CO 0.04 0.70 0.54 0.93 -2.27 0.00 0.00 179.45 179.39 1yuu h GLU 40 N 1.08 0.49 0.21 1.90 5.08 -0.61 0.14 114.58 122.87 1yuu h GLU 40 Ca 0.38 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1yuu h GLU 40 Cb 0.09 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1yuu h GLU 40 CO -0.15 0.32 -0.13 1.25 -1.00 0.00 0.00 179.01 179.31 1yuu h LEU 41 N 0.50 -0.32 0.03 1.33 7.12 -1.16 0.49 115.31 123.31 1yuu h LEU 41 Ca 0.64 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.67 1yuu h LEU 41 Cb 1.25 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.48 1yuu h LEU 41 CO -0.51 -0.21 -0.01 -0.37 -0.13 0.00 0.00 178.44 177.21 1yuu h VAL 42 N -0.33 1.39 -0.63 1.05 -1.51 -1.27 -3.22 116.25 111.73 1yuu h VAL 42 Ca -0.02 -1.45 0.05 0.00 -1.23 0.00 0.00 66.70 64.05 1yuu h VAL 42 Cb 0.27 2.33 -0.05 0.00 -2.13 0.00 0.00 31.29 31.72 1yuu h VAL 42 CO 0.02 0.36 0.36 0.74 -1.23 0.00 0.00 177.57 177.82 1yuu h THR 43 N -0.69 1.00 0.77 7.19 2.02 -0.82 -0.86 112.91 121.52 1yuu h THR 43 Ca -0.00 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1yuu h THR 43 Cb 0.62 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1yuu h THR 43 CO 0.01 0.12 -0.37 -0.61 0.37 0.00 0.00 175.52 175.04 1yuu h GLN 44 N 0.68 -1.00 -0.27 6.66 4.15 -0.91 -3.41 115.11 121.00 1yuu h GLN 44 Ca 0.27 0.07 -0.21 0.00 0.77 0.00 0.00 58.65 59.55 1yuu h GLN 44 Cb 0.13 0.23 -0.33 0.00 0.21 0.00 0.00 27.48 27.71 1yuu h GLN 44 CO -0.16 -0.67 -0.89 1.04 -1.93 0.00 0.00 178.83 176.22 1yuu n GLN 45 N -4.81 1.40 -1.25 1.69 6.02 -1.22 -4.94 117.38 114.26 1yuu n GLN 45 Ca -0.13 -2.75 0.02 0.00 -0.01 0.00 0.00 57.00 54.13 1yuu n GLN 45 Cb 0.41 -0.91 0.11 0.00 1.02 0.00 0.00 30.24 30.87 1yuu n GLN 45 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1yuu n LEU 46 N -0.67 2.19 0.45 1.08 7.94 -0.33 -4.99 117.00 122.66 1yuu n LEU 46 Ca 0.00 -3.20 -0.18 0.00 -1.11 0.00 0.00 56.01 51.53 1yuu n LEU 46 Cb 0.85 -0.23 -0.08 0.00 0.53 0.00 0.00 43.42 44.49 1yuu n LEU 46 CO -0.00 1.10 0.47 1.55 -1.11 0.00 0.00 177.39 179.41 1yuu h PRO 47 N 1.24 -1.10 -0.49 1.96 0.13 -1.84 -2.38 132.00 129.52 1yuu h PRO 47 Ca -0.06 0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 1yuu h PRO 47 Cb 1.41 0.25 -0.02 0.00 0.13 0.00 0.00 31.00 32.77 1yuu h PRO 47 CO 0.12 -0.73 -0.07 0.45 -0.23 0.00 0.00 178.00 177.54 1yuu h HIS 48 N -1.26 0.94 0.32 1.56 3.86 -1.96 -3.05 115.15 115.56 1yuu h HIS 48 Ca -0.12 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 1yuu h HIS 48 Cb 0.88 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1yuu h HIS 48 CO 0.01 0.89 -0.15 1.25 0.86 0.00 0.00 177.93 180.79 1yuu h LEU 49 N 0.78 -0.36 -7.59 2.43 5.85 -1.95 -3.30 115.31 111.17 1yuu h LEU 49 Ca 0.14 -0.15 -0.73 0.00 0.84 0.00 0.00 57.88 57.98 1yuu h LEU 49 Cb 0.57 0.09 -0.32 0.00 0.37 0.00 0.00 40.66 41.37 1yuu h LEU 49 CO 0.03 -0.04 -0.12 -0.76 -0.34 0.00 0.00 178.44 177.22 1yuu s LEU 50 N -9.61 5.82 0.96 2.25 1.43 -0.90 -4.84 118.68 113.78 1yuu s LEU 50 Ca -0.15 -3.03 -0.13 0.00 -1.03 0.00 0.00 54.13 49.80 1yuu s LEU 50 Cb 0.03 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1yuu s LEU 50 CO 0.57 -0.39 0.32 2.29 0.23 0.00 0.00 176.35 179.37 1yuu n LYS 51 N 3.35 -0.32 -3.67 1.70 2.85 -1.15 -3.86 118.16 117.05 1yuu n LYS 51 Ca 0.13 -0.06 -0.26 0.00 -1.05 0.00 0.00 58.31 57.08 1yuu n LYS 51 Cb 0.40 -1.80 0.06 0.00 -0.65 0.00 0.00 35.03 33.04 1yuu n LYS 51 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1yuu n ASP 52 N -1.06 -5.83 -0.50 -5.58 8.00 -1.26 -4.84 116.55 105.48 1yuu n ASP 52 Ca 0.06 -0.60 0.41 0.00 0.71 0.00 0.00 54.79 55.37 1yuu n ASP 52 Cb 0.54 -4.61 0.70 0.00 -0.02 0.00 0.00 41.12 37.73 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 -2.41 0.07 -0.99 2.53 3.04 -1.91 -0.53 116.25 116.05 1yuu h VAL 53 Ca -0.57 -0.01 0.23 0.00 -1.01 0.00 0.00 66.70 65.33 1yuu h VAL 53 Cb 1.37 0.03 -0.19 0.00 -2.01 0.00 0.00 31.29 30.49 1yuu h VAL 53 CO 0.60 0.01 -0.14 0.61 -1.01 0.00 0.00 177.57 177.63 1yuu n GLY 54 N -1.61 -1.54 1.37 3.17 0.00 -1.26 -1.14 105.19 104.18 1yuu n GLY 54 Ca 0.39 1.02 0.03 0.00 0.00 0.00 0.00 46.02 47.47 1yuu n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yuu n SER 55 N -5.56 3.83 -0.33 1.61 2.88 -0.21 -4.51 113.62 111.33 1yuu n SER 55 Ca 0.19 -2.59 0.15 0.00 -1.33 0.00 0.00 58.87 55.28 1yuu n SER 55 Cb 0.60 -0.62 0.29 0.00 -0.75 0.00 0.00 64.21 63.73 1yuu n SER 55 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1yuu n LEU 56 N 0.31 -0.10 -0.32 2.46 -0.00 -0.29 -1.46 117.00 117.60 1yuu n LEU 56 Ca 0.18 1.63 0.19 0.00 -0.00 0.00 0.00 56.01 58.01 1yuu n LEU 56 Cb 0.85 -0.60 0.45 0.00 -0.00 0.00 0.00 43.42 44.12 1yuu n LEU 56 CO 0.21 -1.66 1.21 0.44 -0.00 0.00 0.00 177.39 177.59 1yuu h ASP 57 N 0.00 0.55 0.20 1.96 5.19 -1.85 0.39 116.42 122.86 1yuu h ASP 57 Ca 0.59 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 57.09 1yuu h ASP 57 Cb 1.23 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 1yuu h ASP 57 CO -0.90 0.15 -0.16 -0.08 -3.12 0.00 0.00 179.24 175.13 1yuu h GLU 58 N 0.51 -0.35 -0.17 3.56 4.81 -1.63 -0.66 114.58 120.64 1yuu h GLU 58 Ca 0.58 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.86 1yuu h GLU 58 Cb 1.27 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 1yuu h GLU 58 CO -0.32 -0.24 0.00 -0.22 -0.73 0.00 0.00 179.01 177.50 1yuu h LYS 59 N -0.37 0.06 -0.30 1.92 1.63 -0.43 -0.11 116.57 118.97 1yuu h LYS 59 Ca -0.01 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1yuu h LYS 59 Cb 0.33 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.87 1yuu h LYS 59 CO -0.01 0.04 -0.32 1.98 -3.45 0.00 0.00 179.45 177.68 1yuu h MET 60 N 0.06 -0.29 -0.63 1.90 4.05 -0.80 0.21 114.93 119.43 1yuu h MET 60 Ca 0.08 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1yuu h MET 60 Cb 0.09 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1yuu h MET 60 CO -0.13 -0.19 0.42 0.87 0.23 0.00 0.00 176.91 178.10 1yuu h LYS 61 N -0.30 0.82 -0.59 0.39 1.57 -0.65 0.31 116.57 118.12 1yuu h LYS 61 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1yuu h LYS 61 Cb 0.54 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1yuu h LYS 61 CO -0.47 0.54 0.38 1.03 -0.57 0.00 0.00 179.45 180.36 1yuu h SER 62 N 0.84 0.68 -0.26 0.86 0.87 -0.18 -3.04 113.55 113.33 1yuu h SER 62 Ca 0.23 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1yuu h SER 62 Cb -0.08 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1yuu h SER 62 CO -0.06 0.51 0.06 -0.07 -0.53 0.00 0.00 176.83 176.74 1yuu h LEU 63 N 0.80 0.40 -7.55 2.23 3.38 -0.13 -3.37 115.31 111.07 1yuu h LEU 63 Ca 0.21 -0.24 -0.41 0.00 0.09 0.00 0.00 57.88 57.54 1yuu h LEU 63 Cb -0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1yuu h LEU 63 CO -0.04 0.54 1.36 -0.67 0.09 0.00 0.00 178.44 179.71 1yuu n ASP 64 N -4.70 2.77 -0.30 -0.43 2.03 0.05 -4.81 116.55 111.16 1yuu n ASP 64 Ca -0.03 -2.68 0.14 0.00 0.52 0.00 0.00 54.79 52.75 1yuu n ASP 64 Cb 0.18 -1.53 0.32 0.00 -0.72 0.00 0.00 41.12 39.37 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 5.69 0.36 -0.42 5.18 -1.51 -1.80 0.14 116.25 123.90 1yuu h VAL 65 Ca 0.26 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 1yuu h VAL 65 Cb 0.86 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1yuu h VAL 65 CO 1.44 0.05 0.00 -0.46 -1.23 0.00 0.00 177.57 177.37 1yuu n ASN 66 N -5.15 3.08 -4.07 4.19 6.94 -1.26 -4.98 115.26 114.01 1yuu n ASN 66 Ca 0.23 -1.95 -0.37 0.00 -0.02 0.00 0.00 54.58 52.47 1yuu n ASN 66 Cb 0.72 -0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 37.84 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 1.22 -0.50 0.00 -3.83 7.27 0.50 -4.87 117.38 117.17 1yuu n GLN 67 Ca 0.19 0.01 0.12 0.00 0.07 0.00 0.00 57.00 57.39 1yuu n GLN 67 Cb 0.53 -2.37 0.19 0.00 2.41 0.00 0.00 30.24 31.00 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 -1.98 1.31 -0.98 1.69 5.68 -1.26 -4.95 116.55 116.06 1yuu n ASP 68 Ca -0.16 -1.05 -0.13 0.00 -0.50 0.00 0.00 54.79 52.96 1yuu n ASP 68 Cb 0.53 0.34 -0.05 0.00 -1.14 0.00 0.00 41.12 40.80 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 -0.60 -4.55 -3.81 -1.12 7.64 -1.26 -4.99 113.62 104.93 1yuu n SER 69 Ca 0.10 0.32 -0.29 0.00 1.01 0.00 0.00 58.87 60.00 1yuu n SER 69 Cb 0.39 -3.17 -0.16 0.00 -1.01 0.00 0.00 64.21 60.26 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 -3.07 1.02 -0.58 1.43 2.02 -1.26 -4.56 118.70 113.70 1yuu s GLU 70 Ca 0.00 -0.68 -0.26 0.00 0.02 0.00 0.00 54.97 54.05 1yuu s GLU 70 Cb 0.00 -2.29 0.04 0.00 0.10 0.00 0.00 34.13 31.98 1yuu s GLU 70 CO 0.00 -0.65 1.06 -0.51 0.02 0.00 0.00 175.26 175.18 1yuu s LEU 71 N 1.67 3.80 1.05 1.80 2.01 -0.12 -4.80 118.68 124.09 1yuu s LEU 71 Ca -0.02 -0.20 -0.13 0.00 0.01 0.00 0.00 54.13 53.79 1yuu s LEU 71 Cb -0.18 -2.93 0.16 0.00 0.01 0.00 0.00 46.19 43.24 1yuu s LEU 71 CO -0.08 -1.37 0.68 0.29 1.01 0.00 0.00 176.35 176.88 1yuu n LYS 72 N 7.97 -1.29 -0.36 1.70 4.01 -1.26 -0.91 118.16 128.02 1yuu n LYS 72 Ca 0.04 -0.34 -0.09 0.00 -0.51 0.00 0.00 58.31 57.41 1yuu n LYS 72 Cb 0.48 -2.04 -0.09 0.00 -0.51 0.00 0.00 35.03 32.87 1yuu n LYS 72 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1yuu n PHE 73 N -4.37 -0.38 0.22 2.13 3.01 -1.23 -0.45 117.46 116.40 1yuu n PHE 73 Ca 0.06 1.07 0.08 0.00 1.01 0.00 0.00 57.45 59.66 1yuu n PHE 73 Cb 0.55 -0.57 0.50 0.00 -0.01 0.00 0.00 39.48 39.96 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 0.31 4.37 -1.24 -1.94 0.58 115.58 117.66 1yuu h ASN 74 Ca 0.14 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 1yuu h ASN 74 Cb 0.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1yuu h ASN 74 CO -0.80 0.26 -0.15 -0.33 -1.29 0.00 0.00 177.43 175.12 1yuu h GLU 75 N 0.00 -0.40 -0.54 6.67 5.08 -1.13 -3.29 114.58 120.97 1yuu h GLU 75 Ca -0.00 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1yuu h GLU 75 Cb 0.59 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 1yuu h GLU 75 CO 0.03 -0.20 0.05 -0.92 -1.00 0.00 0.00 179.01 176.97 1yuu h TYR 76 N -1.08 0.06 -1.02 4.33 5.03 -0.65 -1.94 116.97 121.69 1yuu h TYR 76 Ca -0.04 0.04 0.29 0.00 2.58 0.00 0.00 58.73 61.60 1yuu h TYR 76 Cb 0.38 0.05 -0.13 0.00 1.55 0.00 0.00 36.73 38.58 1yuu h TYR 76 CO 0.01 -0.08 0.60 2.35 -1.32 0.00 0.00 178.16 179.73 1yuu h TRP 77 N 0.17 0.93 -0.98 -3.82 7.01 -0.99 0.18 115.95 118.44 1yuu h TRP 77 Ca 0.28 0.04 0.33 0.00 2.11 0.00 0.00 58.89 61.64 1yuu h TRP 77 Cb 0.41 -0.26 -0.16 0.00 -2.10 0.00 0.00 29.16 27.06 1yuu h TRP 77 CO -0.29 -0.06 0.49 0.00 -2.79 0.00 0.00 178.44 175.79 1yuu h ARG 78 N 0.42 0.21 -0.71 2.65 3.08 -1.42 0.12 114.38 118.73 1yuu h ARG 78 Ca 0.69 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.85 1yuu h ARG 78 Cb 1.52 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.44 1yuu h ARG 78 CO -0.52 0.14 0.29 1.25 -1.07 0.00 0.00 179.97 180.06 1yuu h LEU 79 N 0.21 0.29 -2.14 3.04 5.85 -0.80 0.41 115.31 122.17 1yuu h LEU 79 Ca 0.73 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.54 1yuu h LEU 79 Cb 1.71 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 1yuu h LEU 79 CO -0.67 0.14 -0.01 0.40 -0.34 0.00 0.00 178.44 177.96 1yuu h ILE 80 N 0.46 0.84 0.16 4.05 2.04 -0.91 -0.17 117.51 123.97 1yuu h ILE 80 Ca 0.38 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 1yuu h ILE 80 Cb 0.52 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1yuu h ILE 80 CO -0.36 0.01 -0.08 1.23 0.00 0.00 0.00 178.15 178.96 1yuu h GLY 81 N 0.04 -0.22 0.96 5.37 0.00 -0.18 0.22 103.07 109.26 1yuu h GLY 81 Ca -0.00 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1yuu h GLY 81 CO 0.00 -0.08 -0.48 0.83 0.00 0.00 0.00 176.54 176.81 1yuu h GLU 82 N -0.65 -1.25 -0.94 4.80 4.39 -0.54 0.10 114.58 120.49 1yuu h GLU 82 Ca -0.02 0.08 0.13 0.00 0.34 0.00 0.00 59.36 59.90 1yuu h GLU 82 Cb 0.48 0.28 -0.08 0.00 -0.10 0.00 0.00 28.75 29.34 1yuu h GLU 82 CO 0.04 -0.83 0.60 1.37 -1.16 0.00 0.00 179.01 179.02 1yuu h LEU 83 N -1.29 0.78 -1.80 1.33 8.10 -1.10 0.30 115.31 121.62 1yuu h LEU 83 Ca -0.13 0.04 -0.03 0.00 0.11 0.00 0.00 57.88 57.88 1yuu h LEU 83 Cb 1.00 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 41.11 1yuu h LEU 83 CO 0.19 0.40 -0.13 0.00 -4.11 0.00 0.00 178.44 174.80 1yuu h ALA 84 N 1.57 1.69 0.14 0.17 0.00 -0.07 -1.90 119.26 120.86 1yuu h ALA 84 Ca 0.47 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 1yuu h ALA 84 Cb 0.61 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1yuu h ALA 84 CO -0.23 0.16 -0.96 -0.22 0.00 0.00 0.00 179.25 178.00 1yuu h LYS 85 N 0.00 0.30 0.00 0.00 3.64 0.20 -3.36 116.57 117.35 1yuu h LYS 85 Ca -0.00 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1yuu h LYS 85 Cb 0.24 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1yuu h LYS 85 CO 0.02 1.25 -0.09 0.93 -2.27 0.00 0.00 179.45 179.28 1yuu h GLU 86 N -0.33 0.00 -1.10 1.90 4.39 -0.16 0.11 114.58 119.39 1yuu h GLU 86 Ca -0.18 0.00 0.30 0.00 0.34 0.00 0.00 59.36 59.82 1yuu h GLU 86 Cb 1.69 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.26 1yuu h GLU 86 CO 0.14 0.09 0.74 0.97 -1.16 0.00 0.00 179.01 179.79 1yuu h ILE 87 N 0.00 0.46 0.01 3.13 2.10 -1.51 0.98 117.51 122.67 1yuu h ILE 87 Ca -0.00 -0.08 -0.39 0.00 1.08 0.00 0.00 64.86 65.47 1yuu h ILE 87 Cb 0.24 0.19 -0.06 0.00 -1.09 0.00 0.00 36.82 36.10 1yuu h ILE 87 CO 0.01 0.04 -2.14 -1.14 -1.08 0.00 0.00 178.15 173.85 1yuu n ARG 88 N -4.49 0.60 0.14 2.19 0.63 0.19 -4.52 116.66 111.39 1yuu n ARG 88 Ca 0.26 0.34 0.11 0.00 -0.92 0.00 0.00 57.85 57.65 1yuu n ARG 88 Cb 1.03 -1.58 0.52 0.00 0.45 0.00 0.00 32.46 32.88 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 -4.18 0.17 -0.18 -0.14 4.81 -0.08 -0.41 118.16 118.16 1yuu n LYS 89 Ca -0.46 0.51 0.29 0.00 -0.87 0.00 0.00 58.31 57.78 1yuu n LYS 89 Cb 0.85 -1.90 0.72 0.00 0.02 0.00 0.00 35.03 34.72 1yuu n LYS 89 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 1yuu h LYS 90 N 0.00 0.00 0.00 1.64 2.10 -1.05 0.94 116.57 120.21 1yuu h LYS 90 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1yuu h LYS 90 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1yuu h LYS 90 CO 0.00 0.00 0.00 1.17 -2.00 0.00 0.00 179.45 178.62 1yuu n LYS 91 N -4.08 0.00 0.00 0.07 4.81 0.46 -4.25 118.16 115.17 1yuu n LYS 91 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1yuu n LYS 91 Cb 1.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.07 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 0.00 0.00 -3.65 3.14 2.03 0.32 -4.82 116.55 113.58 1yuu n ASP 92 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1yuu n ASP 92 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1yuu n ASP 92 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1yuu n LEU 93 N -0.66 7.26 -0.86 -2.67 7.94 -1.25 -4.55 117.00 122.21 1yuu n LEU 93 Ca 0.00 -4.21 0.00 0.00 -1.11 0.00 0.00 56.01 50.69 1yuu n LEU 93 Cb 0.00 -1.63 0.00 0.00 0.53 0.00 0.00 43.42 42.32 1yuu n LEU 93 CO 0.00 1.32 0.00 0.29 -1.11 0.00 0.00 177.39 177.89 1yuu n LYS 94 N 5.48 0.00 0.06 1.96 5.02 -1.26 -5.00 118.16 124.41 1yuu n LYS 94 Ca 0.57 0.29 -0.07 0.00 -2.02 0.00 0.00 58.31 57.08 1yuu n LYS 94 Cb 0.36 -0.58 -0.04 0.00 -0.02 0.00 0.00 35.03 34.75 1yuu n LYS 94 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1yuu h ILE 95 N 0.00 0.00 -6.46 -0.18 5.03 -1.80 -3.47 117.51 110.64 1yuu h ILE 95 Ca 0.00 0.00 -0.41 0.00 -0.12 0.00 0.00 64.86 64.33 1yuu h ILE 95 Cb 0.00 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.79 1yuu h ILE 95 CO 0.00 0.00 -0.93 -1.14 -0.68 0.00 0.00 178.15 175.40 1yuu n ARG 96 N -3.60 -1.29 -3.65 2.37 0.00 -1.26 -4.96 116.66 104.27 1yuu n ARG 96 Ca -0.04 0.62 -0.01 0.00 -0.00 0.00 0.00 57.85 58.43 1yuu n ARG 96 Cb 0.16 -1.82 -0.07 0.00 0.00 0.00 0.00 32.46 30.73 1yuu n ARG 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1yuu s LYS 97 N -4.42 0.06 0.00 -0.14 -2.85 -1.26 -4.96 119.74 106.16 1yuu s LYS 97 Ca 0.01 0.08 0.04 0.00 -1.00 0.00 0.00 55.97 55.10 1yuu s LYS 97 Cb -0.00 0.02 0.27 0.00 -2.06 0.00 0.00 37.83 36.06 1yuu s LYS 97 CO 0.74 -0.01 0.74 0.36 0.10 0.00 0.00 175.35 177.29