#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yut s ALA 2 N 0.00 -0.54 -0.47 3.04 0.00 -1.26 -4.37 121.76 118.16 1yut s ALA 2 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1yut s ALA 2 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 1yut s ALA 2 CO 0.00 -4.06 0.40 0.00 0.00 0.00 0.00 175.76 172.10 1yut n ALA 3 N -5.12 -1.12 -2.66 0.00 0.00 -1.26 -5.04 120.51 105.30 1yut n ALA 3 Ca 0.06 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1yut n ALA 3 Cb 0.56 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 1yut n ALA 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1yut s GLU 4 N -4.02 4.54 0.57 0.00 1.03 -1.26 -5.05 118.70 114.51 1yut s GLU 4 Ca 0.11 1.30 -0.19 0.00 0.03 0.00 0.00 54.97 56.22 1yut s GLU 4 Cb -0.01 -3.45 -0.05 0.00 -0.80 0.00 0.00 34.13 29.82 1yut s GLU 4 CO 0.31 0.01 1.13 -1.25 -1.33 0.00 0.00 175.26 174.12 1yut s PRO 5 N 0.84 3.25 0.57 -4.83 0.04 -1.26 -5.06 135.00 128.54 1yut s PRO 5 Ca 0.48 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.15 1yut s PRO 5 Cb -0.20 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.39 1yut s PRO 5 CO 0.26 -0.93 0.45 -0.51 0.04 0.00 0.00 177.00 176.31 1yut s LEU 6 N -4.00 2.64 0.65 -3.56 1.43 -1.26 -5.10 118.68 109.47 1yut s LEU 6 Ca 0.72 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 1yut s LEU 6 Cb -0.23 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 1yut s LEU 6 CO 0.30 -1.20 1.11 0.28 0.23 0.00 0.00 176.35 177.07 1yut s THR 7 N -2.80 3.28 0.27 5.49 -1.32 -1.26 -4.70 115.64 114.60 1yut s THR 7 Ca 0.35 0.61 -0.05 0.00 -1.21 0.00 0.00 61.69 61.38 1yut s THR 7 Cb -0.03 -3.14 0.37 0.00 -1.51 0.00 0.00 72.50 68.20 1yut s THR 7 CO 0.22 -0.36 1.59 -0.08 -2.21 0.00 0.00 174.62 173.79 1yut h GLU 8 N 0.15 0.03 -0.28 7.08 4.81 -1.99 0.64 114.58 125.02 1yut h GLU 8 Ca -0.47 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.66 1yut h GLU 8 Cb 1.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1yut h GLU 8 CO 0.55 0.02 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.56 1yut h LEU 9 N 0.03 0.68 -0.30 1.64 3.38 -1.99 -1.43 115.31 117.33 1yut h LEU 9 Ca 0.48 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1yut h LEU 9 Cb 0.85 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 1yut h LEU 9 CO -0.85 0.98 -0.33 -0.33 0.09 0.00 0.00 178.44 178.00 1yut h GLU 10 N 0.38 -0.30 -0.43 1.13 5.08 -1.36 0.15 114.58 119.23 1yut h GLU 10 Ca 0.05 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1yut h GLU 10 Cb 0.77 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.99 1yut h GLU 10 CO 0.06 -0.20 -0.27 0.93 -1.00 0.00 0.00 179.01 178.53 1yut h GLU 11 N -0.31 -0.18 -0.18 2.33 4.39 -0.82 0.29 114.58 120.10 1yut h GLU 11 Ca 0.14 0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.66 1yut h GLU 11 Cb 0.54 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1yut h GLU 11 CO -0.47 -0.12 -0.65 0.66 -1.16 0.00 0.00 179.01 177.27 1yut h SER 12 N -0.19 0.76 -0.63 1.42 4.64 -0.76 -0.84 113.55 117.96 1yut h SER 12 Ca 0.20 -0.45 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 1yut h SER 12 Cb 0.50 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1yut h SER 12 CO -0.54 1.21 0.15 0.16 -0.87 0.00 0.00 176.83 176.95 1yut h ILE 13 N 0.48 1.25 0.49 0.95 -0.00 -0.47 -2.96 117.51 117.26 1yut h ILE 13 Ca -0.01 -0.92 -0.02 0.00 -0.00 0.00 0.00 64.86 63.91 1yut h ILE 13 Cb 1.24 0.65 -0.01 0.00 -0.00 0.00 0.00 36.82 38.70 1yut h ILE 13 CO 0.13 0.35 -0.31 -0.08 -0.00 0.00 0.00 178.15 178.23 1yut h GLU 14 N 0.92 -0.74 -0.96 0.16 4.22 -0.68 0.91 114.58 118.42 1yut h GLU 14 Ca 0.20 0.05 0.15 0.00 0.08 0.00 0.00 59.36 59.83 1yut h GLU 14 Cb 0.35 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1yut h GLU 14 CO 0.00 -0.49 0.61 0.00 -2.18 0.00 0.00 179.01 176.95 1yut h THR 15 N -0.77 0.83 0.00 0.32 1.03 -1.11 0.24 112.91 113.45 1yut h THR 15 Ca -0.05 -0.28 -0.26 0.00 -0.01 0.00 0.00 66.41 65.81 1yut h THR 15 Cb 0.63 -0.04 0.02 0.00 -1.07 0.00 0.00 68.15 67.69 1yut h THR 15 CO 0.05 0.15 -1.03 -0.37 -0.01 0.00 0.00 175.52 174.30 1yut h VAL 16 N 0.80 1.30 -0.23 0.00 -1.51 -1.38 -2.86 116.25 112.38 1yut h VAL 16 Ca 0.49 -2.29 0.01 0.00 -1.23 0.00 0.00 66.70 63.68 1yut h VAL 16 Cb 0.70 2.39 -0.01 0.00 -2.13 0.00 0.00 31.29 32.24 1yut h VAL 16 CO -0.26 0.70 0.14 0.58 -1.23 0.00 0.00 177.57 177.50 1yut h VAL 17 N 0.36 1.04 -0.50 7.19 2.07 0.18 0.14 116.25 126.74 1yut h VAL 17 Ca -0.12 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1yut h VAL 17 Cb 1.68 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1yut h VAL 17 CO 0.20 0.05 0.32 0.00 0.02 0.00 0.00 177.57 178.17 1yut h THR 18 N 0.29 1.11 0.17 2.57 1.03 -0.77 0.19 112.91 117.51 1yut h THR 18 Ca 0.09 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1yut h THR 18 Cb -0.02 0.40 -0.01 0.00 -1.07 0.00 0.00 68.15 67.44 1yut h THR 18 CO -0.03 0.12 -0.16 0.74 -0.01 0.00 0.00 175.52 176.18 1yut h THR 19 N 0.66 0.64 -0.67 0.00 2.02 -1.24 -0.85 112.91 113.48 1yut h THR 19 Ca 0.19 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.47 1yut h THR 19 Cb -0.06 0.64 -0.12 0.00 -1.74 0.00 0.00 68.15 66.87 1yut h THR 19 CO -0.05 0.00 -0.41 0.15 0.37 0.00 0.00 175.52 175.58 1yut h PHE 20 N -0.36 -1.21 -0.45 3.16 3.57 -0.49 -2.95 116.94 118.22 1yut h PHE 20 Ca 0.00 0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1yut h PHE 20 Cb 0.34 0.62 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1yut h PHE 20 CO -0.13 -0.41 0.27 0.35 -2.23 0.00 0.00 178.31 176.16 1yut h PHE 21 N -0.17 0.60 0.00 0.41 3.57 0.38 0.37 116.94 122.11 1yut h PHE 21 Ca 0.22 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1yut h PHE 21 Cb 0.56 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1yut h PHE 21 CO -0.74 0.42 -0.02 0.00 -2.23 0.00 0.00 178.31 175.75 1yut h THR 22 N 0.60 0.84 0.23 4.41 1.03 -1.03 0.31 112.91 119.31 1yut h THR 22 Ca 0.16 -0.06 -0.31 0.00 -0.01 0.00 0.00 66.41 66.19 1yut h THR 22 Cb -0.00 1.03 0.03 0.00 -1.07 0.00 0.00 68.15 68.15 1yut h THR 22 CO -0.03 0.02 -1.37 -0.26 -0.01 0.00 0.00 175.52 173.87 1yut h PHE 23 N 0.00 0.90 -0.85 0.00 0.04 -1.09 -3.30 116.94 112.63 1yut h PHE 23 Ca -0.00 -0.65 0.15 0.00 2.80 0.00 0.00 57.97 60.26 1yut h PHE 23 Cb 0.03 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 1yut h PHE 23 CO 0.00 1.52 0.55 0.00 -0.60 0.00 0.00 178.31 179.79 1yut h ALA 24 N 0.13 1.95 0.00 2.45 0.00 0.16 -0.11 119.26 123.85 1yut h ALA 24 Ca -0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1yut h ALA 24 Cb 2.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1yut h ALA 24 CO 0.25 -0.18 -0.01 0.07 0.00 0.00 0.00 179.25 179.38 1yut h ARG 25 N 0.58 0.00 -0.64 0.00 -0.00 -1.21 -3.33 114.38 109.79 1yut h ARG 25 Ca 0.42 0.00 0.09 0.00 -0.00 0.00 0.00 59.98 60.49 1yut h ARG 25 Cb 0.79 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 30.65 1yut h ARG 25 CO -0.18 0.00 -0.47 0.37 -0.00 0.00 0.00 179.97 179.70 1yut h GLN 26 N 0.00 -0.20 -5.72 0.08 5.75 -1.08 -3.43 115.11 110.51 1yut h GLN 26 Ca 0.00 0.01 -0.60 0.00 -0.15 0.00 0.00 58.65 57.91 1yut h GLN 26 Cb 0.87 0.04 -0.10 0.00 1.07 0.00 0.00 27.48 29.37 1yut h GLN 26 CO 0.00 -0.13 -0.51 -1.21 -2.65 0.00 0.00 178.83 174.33 1yut s GLU 27 N -5.78 2.15 0.01 1.69 2.02 -1.26 -5.09 118.70 112.43 1yut s GLU 27 Ca -0.14 -2.03 -0.03 0.00 0.02 0.00 0.00 54.97 52.80 1yut s GLU 27 Cb 0.13 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.52 1yut s GLU 27 CO 0.65 -0.18 0.06 0.41 0.02 0.00 0.00 175.26 176.23 1yut n GLY 28 N -1.21 -0.07 2.40 -1.39 0.00 -1.26 -4.44 105.19 99.21 1yut n GLY 28 Ca -0.05 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1yut n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yut n ARG 29 N 0.10 -4.39 -1.03 1.61 1.74 -1.26 -4.72 116.66 108.71 1yut n ARG 29 Ca 0.02 3.30 -0.31 0.00 -0.77 0.00 0.00 57.85 60.09 1yut n ARG 29 Cb 0.01 -4.60 -0.02 0.00 -1.02 0.00 0.00 32.46 26.83 1yut n ARG 29 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1yut n LYS 30 N 1.59 2.69 0.02 5.56 2.85 -1.25 -2.95 118.16 126.67 1yut n LYS 30 Ca -0.27 -1.81 0.00 0.00 -1.05 0.00 0.00 58.31 55.18 1yut n LYS 30 Cb 0.41 -2.65 0.00 0.00 -0.65 0.00 0.00 35.03 32.14 1yut n LYS 30 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1yut n ASP 31 N 4.27 -0.39 -4.75 -5.58 -0.08 -1.25 -4.80 116.55 103.98 1yut n ASP 31 Ca 0.58 0.08 -0.40 0.00 -1.51 0.00 0.00 54.79 53.54 1yut n ASP 31 Cb 0.20 0.80 -0.05 0.00 2.34 0.00 0.00 41.12 44.40 1yut n ASP 31 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1yut s SER 32 N -2.11 7.33 -0.24 1.67 1.04 -1.15 -3.47 113.70 116.76 1yut s SER 32 Ca 0.00 1.59 -0.22 0.00 0.48 0.00 0.00 55.95 57.80 1yut s SER 32 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 1yut s SER 32 CO 0.00 0.04 0.71 -0.76 0.98 0.00 0.00 173.24 174.21 1yut s LEU 33 N -0.30 4.08 0.94 2.42 2.01 -0.22 -4.75 118.68 122.86 1yut s LEU 33 Ca 0.40 0.86 -0.13 0.00 0.01 0.00 0.00 54.13 55.26 1yut s LEU 33 Cb -0.22 -2.99 0.21 0.00 0.01 0.00 0.00 46.19 43.20 1yut s LEU 33 CO 0.26 -0.41 1.28 -0.55 1.01 0.00 0.00 176.35 177.94 1yut s SER 34 N 1.38 3.13 0.11 2.29 0.15 -1.26 -0.38 113.70 119.12 1yut s SER 34 Ca 0.30 0.04 -0.33 0.00 0.70 0.00 0.00 55.95 56.66 1yut s SER 34 Cb -0.15 -0.06 -0.11 0.00 -1.71 0.00 0.00 66.02 63.98 1yut s SER 34 CO 0.08 -2.70 1.57 0.58 1.20 0.00 0.00 173.24 173.97 1yut h VAL 35 N -1.52 0.06 0.54 4.45 2.07 -1.99 0.28 116.25 120.15 1yut h VAL 35 Ca -0.42 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1yut h VAL 35 Cb 1.23 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1yut h VAL 35 CO 0.34 0.00 -0.31 -1.13 0.02 0.00 0.00 177.57 176.49 1yut h ASN 36 N -0.65 -0.75 -0.88 0.57 -1.24 -1.96 -0.51 115.58 110.15 1yut h ASN 36 Ca 0.02 0.04 0.17 0.00 0.71 0.00 0.00 56.30 57.24 1yut h ASN 36 Cb 0.70 0.21 -0.16 0.00 0.73 0.00 0.00 38.32 39.81 1yut h ASN 36 CO -0.33 -0.49 -0.24 -0.62 -1.29 0.00 0.00 177.43 174.45 1yut n GLU 37 N -5.45 -0.10 0.15 6.67 1.02 -1.04 -0.45 120.64 121.43 1yut n GLU 37 Ca -0.12 1.37 -0.14 0.00 -0.02 0.00 0.00 57.16 58.25 1yut n GLU 37 Cb 0.34 -2.04 -0.08 0.00 -0.02 0.00 0.00 31.44 29.64 1yut n GLU 37 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1yut h PHE 38 N 0.00 -0.33 -0.89 -0.32 3.57 -0.07 -3.04 116.94 115.85 1yut h PHE 38 Ca 0.40 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.02 1yut h PHE 38 Cb 0.62 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 1yut h PHE 38 CO -0.70 -0.06 0.58 -0.22 -2.23 0.00 0.00 178.31 175.68 1yut h LYS 39 N -0.57 0.75 -0.90 1.11 3.64 0.79 -1.01 116.57 120.38 1yut h LYS 39 Ca -0.04 -0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.48 1yut h LYS 39 Cb 0.42 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1yut h LYS 39 CO 0.06 0.50 0.59 0.93 -2.27 0.00 0.00 179.45 179.25 1yut h GLU 40 N 0.77 0.53 0.43 1.90 5.08 -0.64 -0.06 114.58 122.59 1yut h GLU 40 Ca 0.44 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1yut h GLU 40 Cb 0.60 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1yut h GLU 40 CO -0.20 0.35 -0.21 1.25 -1.00 0.00 0.00 179.01 179.20 1yut h LEU 41 N 0.54 -0.49 0.00 1.33 7.12 -1.22 0.60 115.31 123.19 1yut h LEU 41 Ca 0.47 -0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.45 1yut h LEU 41 Cb 0.97 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 1yut h LEU 41 CO -0.21 -0.29 -0.00 -0.37 -0.13 0.00 0.00 178.44 177.44 1yut h VAL 42 N -0.67 1.25 -0.30 1.05 -1.51 -1.50 0.88 116.25 115.44 1yut h VAL 42 Ca -0.06 -0.74 0.07 0.00 -1.23 0.00 0.00 66.70 64.73 1yut h VAL 42 Cb 0.49 1.75 -0.07 0.00 -2.13 0.00 0.00 31.29 31.34 1yut h VAL 42 CO 0.10 0.19 -0.13 0.74 -1.23 0.00 0.00 177.57 177.24 1yut h THR 43 N -0.32 0.59 0.24 7.19 2.02 -1.04 -1.80 112.91 119.79 1yut h THR 43 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1yut h THR 43 Cb 0.32 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1yut h THR 43 CO 0.00 0.00 -0.12 -0.61 0.37 0.00 0.00 175.52 175.16 1yut h GLN 44 N -0.07 -0.32 -0.01 6.66 4.15 -0.74 -3.42 115.11 121.35 1yut h GLN 44 Ca 0.15 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1yut h GLN 44 Cb 0.31 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1yut h GLN 44 CO -0.35 -0.15 -0.08 1.04 -1.93 0.00 0.00 178.83 177.36 1yut n GLN 45 N -4.99 1.08 -2.71 1.69 6.02 0.29 -4.80 117.38 113.96 1yut n GLN 45 Ca -0.05 -0.92 -0.21 0.00 -0.01 0.00 0.00 57.00 55.81 1yut n GLN 45 Cb 0.16 -1.15 -0.00 0.00 1.02 0.00 0.00 30.24 30.26 1yut n GLN 45 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1yut n LEU 46 N 0.27 3.32 -0.03 1.08 7.94 -0.68 -4.92 117.00 123.98 1yut n LEU 46 Ca 0.05 -4.89 -0.13 0.00 -1.11 0.00 0.00 56.01 49.93 1yut n LEU 46 Cb 0.24 -0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.01 1yut n LEU 46 CO 0.09 2.09 0.63 1.55 -1.11 0.00 0.00 177.39 180.64 1yut h PRO 47 N 2.82 0.17 0.04 1.96 0.13 -1.87 -3.34 132.00 131.91 1yut h PRO 47 Ca 0.14 -0.09 -0.07 0.00 -0.87 0.00 0.00 66.00 65.11 1yut h PRO 47 Cb 0.91 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.05 1yut h PRO 47 CO 0.71 0.59 -0.28 1.25 -0.23 0.00 0.00 178.00 180.04 1yut h HIS 48 N -0.24 0.21 0.12 1.56 -0.00 -1.96 -3.26 115.15 111.58 1yut h HIS 48 Ca 0.01 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1yut h HIS 48 Cb 0.56 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 1yut h HIS 48 CO 0.08 1.06 -0.14 1.25 -0.00 0.00 0.00 177.93 180.18 1yut h LEU 49 N -0.69 -0.38 -7.13 0.26 5.85 -1.96 -3.26 115.31 107.99 1yut h LEU 49 Ca -0.05 0.03 -0.70 0.00 0.84 0.00 0.00 57.88 58.01 1yut h LEU 49 Cb 1.16 0.13 -0.36 0.00 0.37 0.00 0.00 40.66 41.96 1yut h LEU 49 CO 0.05 -0.18 -0.10 0.18 -0.34 0.00 0.00 178.44 178.06 1yut n LEU 50 N -3.15 4.29 -4.22 2.25 4.77 -1.25 -4.98 117.00 114.71 1yut n LEU 50 Ca -0.03 -5.18 -0.34 0.00 -0.03 0.00 0.00 56.01 50.42 1yut n LEU 50 Cb 0.12 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.11 1yut n LEU 50 CO 0.07 1.65 1.73 2.29 -1.33 0.00 0.00 177.39 181.80 1yut n LYS 51 N 2.01 1.57 -2.67 3.23 -0.00 -1.23 -4.22 118.16 116.85 1yut n LYS 51 Ca 0.23 -2.24 -0.03 0.00 -0.00 0.00 0.00 58.31 56.27 1yut n LYS 51 Cb 0.37 -3.42 0.04 0.00 -0.00 0.00 0.00 35.03 32.02 1yut n LYS 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1yut n ASP 52 N 11.74 -1.49 -0.90 -5.58 2.03 -1.26 -4.97 116.55 116.12 1yut n ASP 52 Ca 0.47 -1.08 0.03 0.00 0.52 0.00 0.00 54.79 54.72 1yut n ASP 52 Cb 0.44 0.76 0.14 0.00 -0.72 0.00 0.00 41.12 41.74 1yut n ASP 52 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1yut n VAL 53 N 2.48 0.85 0.00 5.18 0.24 -1.26 -4.44 118.33 121.38 1yut n VAL 53 Ca 0.11 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1yut n VAL 53 Cb 0.65 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 1yut n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yut n GLY 54 N 0.33 0.38 2.30 7.63 0.00 -1.26 -4.65 105.19 109.92 1yut n GLY 54 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1yut n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yut n SER 55 N -1.19 8.34 0.20 1.61 2.88 -1.26 -4.46 113.62 119.73 1yut n SER 55 Ca 0.00 -2.63 0.04 0.00 -1.33 0.00 0.00 58.87 54.95 1yut n SER 55 Cb 0.00 -1.52 0.42 0.00 -0.75 0.00 0.00 64.21 62.36 1yut n SER 55 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1yut h LEU 56 N 6.61 0.00 -0.53 2.46 7.12 -1.83 -2.80 115.31 126.35 1yut h LEU 56 Ca 0.79 0.00 0.10 0.00 0.13 0.00 0.00 57.88 58.90 1yut h LEU 56 Cb 0.41 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.46 1yut h LEU 56 CO 1.59 0.29 0.03 -2.24 -0.13 0.00 0.00 178.44 177.99 1yut h ASP 57 N 0.00 -0.16 0.03 1.25 2.03 -1.98 0.18 116.42 117.76 1yut h ASP 57 Ca -0.00 0.12 0.02 0.00 -0.73 0.00 0.00 57.03 56.44 1yut h ASP 57 Cb 0.52 0.20 -0.03 0.00 -0.83 0.00 0.00 39.33 39.19 1yut h ASP 57 CO 0.04 -0.05 -0.18 -0.08 -1.03 0.00 0.00 179.24 177.94 1yut h GLU 58 N 0.15 -0.29 -0.10 4.15 4.81 -1.88 0.70 114.58 122.12 1yut h GLU 58 Ca 0.27 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1yut h GLU 58 Cb 0.41 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1yut h GLU 58 CO -0.42 -0.20 -0.16 0.87 -0.73 0.00 0.00 179.01 178.38 1yut h LYS 59 N -0.31 -0.20 -0.20 1.92 6.56 -1.40 0.48 116.57 123.41 1yut h LYS 59 Ca 0.05 0.01 0.05 0.00 -1.06 0.00 0.00 60.65 59.71 1yut h LYS 59 Cb 0.36 0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 32.00 1yut h LYS 59 CO -0.15 -0.14 -0.33 1.98 -2.06 0.00 0.00 179.45 178.75 1yut h MET 60 N -0.21 -0.35 -0.74 3.15 4.05 -0.15 0.28 114.93 120.95 1yut h MET 60 Ca 0.08 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.56 1yut h MET 60 Cb 0.33 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.17 1yut h MET 60 CO -0.22 -0.24 0.47 0.87 0.23 0.00 0.00 176.91 178.02 1yut h LYS 61 N -0.37 0.90 -0.02 0.39 1.57 -0.62 0.26 116.57 118.68 1yut h LYS 61 Ca 0.11 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1yut h LYS 61 Cb 0.55 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1yut h LYS 61 CO -0.40 0.60 -0.15 0.77 -0.57 0.00 0.00 179.45 179.69 1yut h SER 62 N 0.93 0.03 0.00 0.86 0.02 0.57 -3.33 113.55 112.62 1yut h SER 62 Ca 0.29 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1yut h SER 62 Cb -0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1yut h SER 62 CO -0.10 0.18 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.50 1yut h LEU 63 N 0.03 0.00 -6.96 5.07 3.38 0.32 -3.43 115.31 113.73 1yut h LEU 63 Ca 0.01 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.37 1yut h LEU 63 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1yut h LEU 63 CO 0.02 0.40 2.26 -0.67 0.09 0.00 0.00 178.44 180.54 1yut n ASP 64 N -3.68 3.54 -0.33 -0.43 2.03 0.82 -4.80 116.55 113.70 1yut n ASP 64 Ca -0.03 -2.78 0.19 0.00 0.52 0.00 0.00 54.79 52.69 1yut n ASP 64 Cb 0.10 -1.53 0.44 0.00 -0.72 0.00 0.00 41.12 39.41 1yut n ASP 64 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yut h VAL 65 N 4.93 0.58 -0.00 5.18 -1.51 -1.83 0.21 116.25 123.81 1yut h VAL 65 Ca 0.43 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 1yut h VAL 65 Cb 0.76 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 1yut h VAL 65 CO 1.68 0.10 -0.22 -0.46 -1.23 0.00 0.00 177.57 177.44 1yut n ASN 66 N -4.71 0.23 -3.89 4.19 0.23 -1.26 -4.97 115.26 105.07 1yut n ASN 66 Ca 0.25 0.15 -0.27 0.00 -0.53 0.00 0.00 54.58 54.18 1yut n ASN 66 Cb 0.76 -0.17 -0.00 0.00 -2.08 0.00 0.00 39.78 38.29 1yut n ASN 66 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1yut n GLN 67 N -1.49 -2.90 0.00 -3.83 7.27 0.74 -4.88 117.38 112.29 1yut n GLN 67 Ca 0.07 0.42 0.12 0.00 0.07 0.00 0.00 57.00 57.67 1yut n GLN 67 Cb 0.34 -4.43 0.27 0.00 2.41 0.00 0.00 30.24 28.83 1yut n GLN 67 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1yut n ASP 68 N -2.91 0.47 -1.43 1.69 5.75 -1.26 -4.95 116.55 113.92 1yut n ASP 68 Ca -0.26 -0.17 -0.14 0.00 -0.01 0.00 0.00 54.79 54.21 1yut n ASP 68 Cb 0.66 0.19 -0.02 0.00 -1.03 0.00 0.00 41.12 40.92 1yut n ASP 68 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1yut n SER 69 N -1.54 -4.33 -3.84 -1.12 7.64 -1.26 -5.01 113.62 104.15 1yut n SER 69 Ca 0.05 0.08 -0.26 0.00 1.01 0.00 0.00 58.87 59.75 1yut n SER 69 Cb 0.34 -3.39 -0.17 0.00 -1.01 0.00 0.00 64.21 59.99 1yut n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1yut s GLU 70 N -4.29 1.12 -0.90 1.43 2.02 -1.26 -4.10 118.70 112.72 1yut s GLU 70 Ca 0.00 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.55 1yut s GLU 70 Cb 0.00 -1.55 0.08 0.00 0.10 0.00 0.00 34.13 32.75 1yut s GLU 70 CO 0.00 -0.36 1.25 -0.51 0.02 0.00 0.00 175.26 175.66 1yut s LEU 71 N 1.79 4.10 0.99 1.80 2.01 0.49 -4.89 118.68 124.96 1yut s LEU 71 Ca 0.03 -1.45 -0.14 0.00 0.01 0.00 0.00 54.13 52.59 1yut s LEU 71 Cb -0.14 -2.49 0.05 0.00 0.01 0.00 0.00 46.19 43.63 1yut s LEU 71 CO -0.07 -1.40 0.34 0.29 1.01 0.00 0.00 176.35 176.53 1yut n LYS 72 N 8.01 -0.57 -0.37 1.70 4.01 -1.26 -1.05 118.16 128.62 1yut n LYS 72 Ca 0.21 -0.13 -0.08 0.00 -0.51 0.00 0.00 58.31 57.80 1yut n LYS 72 Cb 0.49 -1.83 -0.06 0.00 -0.51 0.00 0.00 35.03 33.12 1yut n LYS 72 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1yut n PHE 73 N -3.78 -0.29 0.13 2.13 -0.00 -1.23 -0.33 117.46 114.09 1yut n PHE 73 Ca 0.06 1.13 -0.00 0.00 -0.00 0.00 0.00 57.45 58.63 1yut n PHE 73 Cb 0.55 -0.64 0.28 0.00 -0.00 0.00 0.00 39.48 39.67 1yut n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 1yut h ASN 74 N 0.00 0.16 0.20 -2.13 -1.24 -1.93 0.32 115.58 110.96 1yut h ASN 74 Ca 0.19 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1yut h ASN 74 Cb 0.42 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1yut h ASN 74 CO -0.87 0.53 -0.10 -0.33 -1.29 0.00 0.00 177.43 175.37 1yut h GLU 75 N 0.13 -0.26 -0.52 6.67 5.08 -0.99 -3.17 114.58 121.53 1yut h GLU 75 Ca 0.01 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1yut h GLU 75 Cb 0.73 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.93 1yut h GLU 75 CO 0.05 0.14 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.08 1yut h TYR 76 N -0.79 -0.48 -1.15 4.33 5.03 -0.66 -1.27 116.97 121.97 1yut h TYR 76 Ca -0.03 0.05 0.39 0.00 2.58 0.00 0.00 58.73 61.72 1yut h TYR 76 Cb 0.51 0.29 -0.14 0.00 1.55 0.00 0.00 36.73 38.95 1yut h TYR 76 CO 0.06 -0.29 0.70 2.35 -1.32 0.00 0.00 178.16 179.67 1yut h TRP 77 N -0.08 0.70 -1.00 -3.82 2.91 -0.93 0.53 115.95 114.26 1yut h TRP 77 Ca 0.24 0.03 0.20 0.00 1.13 0.00 0.00 58.89 60.50 1yut h TRP 77 Cb 0.46 -0.18 -0.19 0.00 -0.51 0.00 0.00 29.16 28.74 1yut h TRP 77 CO -0.49 -0.22 -0.23 0.54 -1.03 0.00 0.00 178.44 177.00 1yut n ARG 78 N -4.88 -0.09 -0.28 2.65 1.74 -0.48 -0.25 116.66 115.07 1yut n ARG 78 Ca 0.35 1.55 0.10 0.00 -0.77 0.00 0.00 57.85 59.08 1yut n ARG 78 Cb 1.23 -2.33 0.25 0.00 -1.02 0.00 0.00 32.46 30.59 1yut n ARG 78 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1yut h LEU 79 N 0.00 -0.01 -2.38 0.55 5.85 -1.06 0.15 115.31 118.40 1yut h LEU 79 Ca 0.49 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.38 1yut h LEU 79 Cb 0.76 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1yut h LEU 79 CO -1.02 -0.11 -0.01 0.40 -0.34 0.00 0.00 178.44 177.35 1yut h ILE 80 N 0.23 0.57 -0.07 4.05 2.04 -0.78 0.20 117.51 123.75 1yut h ILE 80 Ca 0.50 -0.06 -0.16 0.00 1.00 0.00 0.00 64.86 66.15 1yut h ILE 80 Cb 0.95 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1yut h ILE 80 CO -0.61 0.01 -0.57 1.23 0.00 0.00 0.00 178.15 178.22 1yut h GLY 81 N 0.08 0.56 1.59 5.37 0.00 -0.75 0.57 103.07 110.49 1yut h GLY 81 Ca -0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 47.33 46.36 1yut h GLY 81 CO 0.00 0.76 -0.38 0.83 0.00 0.00 0.00 176.54 177.75 1yut h GLU 82 N 0.08 0.46 0.84 4.80 4.39 -0.67 0.31 114.58 124.78 1yut h GLU 82 Ca -0.05 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 1yut h GLU 82 Cb 1.23 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1yut h GLU 82 CO 0.12 0.77 -0.40 -0.07 -1.16 0.00 0.00 179.01 178.27 1yut h LEU 83 N 0.39 -0.95 -2.28 1.33 3.38 -0.67 0.19 115.31 116.69 1yut h LEU 83 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1yut h LEU 83 Cb 0.84 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1yut h LEU 83 CO 0.07 -0.61 0.08 0.00 0.09 0.00 0.00 178.44 178.07 1yut h ALA 84 N -1.34 1.76 0.20 1.53 0.00 -0.66 -0.45 119.26 120.29 1yut h ALA 84 Ca -0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1yut h ALA 84 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1yut h ALA 84 CO 0.19 -0.12 -0.09 -0.22 0.00 0.00 0.00 179.25 179.00 1yut h LYS 85 N 0.00 -0.25 -0.81 0.00 3.64 -0.37 -3.38 116.57 115.40 1yut h LYS 85 Ca 0.04 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.61 1yut h LYS 85 Cb 0.20 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 31.93 1yut h LYS 85 CO -0.00 -0.17 -0.11 0.93 -2.27 0.00 0.00 179.45 177.83 1yut h GLU 86 N -0.85 0.03 -0.89 1.90 4.39 0.40 0.33 114.58 119.89 1yut h GLU 86 Ca -0.03 -0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.89 1yut h GLU 86 Cb 0.20 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1yut h GLU 86 CO 0.04 0.02 0.61 0.97 -1.16 0.00 0.00 179.01 179.49 1yut h ILE 87 N 0.03 0.63 0.00 3.13 2.10 -1.30 0.17 117.51 122.27 1yut h ILE 87 Ca 0.42 -0.09 -0.15 0.00 1.08 0.00 0.00 64.86 66.12 1yut h ILE 87 Cb 0.70 0.34 -0.02 0.00 -1.09 0.00 0.00 36.82 36.75 1yut h ILE 87 CO -0.79 0.05 -0.96 -0.09 -1.08 0.00 0.00 178.15 175.28 1yut h ARG 88 N 0.26 0.00 0.00 2.19 1.12 -1.15 -3.42 114.38 113.39 1yut h ARG 88 Ca 0.46 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.30 1yut h ARG 88 Cb 1.35 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.31 1yut h ARG 88 CO -0.13 0.66 -0.11 -0.22 -3.11 0.00 0.00 179.97 177.06 1yut h LYS 89 N -1.00 0.00 -0.22 0.20 3.64 0.20 -3.46 116.57 115.93 1yut h LYS 89 Ca -0.22 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1yut h LYS 89 Cb 1.01 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1yut h LYS 89 CO -0.13 0.11 -0.13 1.17 -2.27 0.00 0.00 179.45 178.20 1yut n LYS 90 N -3.69 -0.10 -2.57 1.90 4.81 0.53 -0.01 118.16 119.02 1yut n LYS 90 Ca -0.02 0.82 -0.14 0.00 -0.87 0.00 0.00 58.31 58.10 1yut n LYS 90 Cb 0.23 -1.22 0.02 0.00 0.02 0.00 0.00 35.03 34.08 1yut n LYS 90 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1yut n LYS 91 N -3.38 2.14 -0.87 1.64 4.01 -0.98 -4.89 118.16 115.82 1yut n LYS 91 Ca 0.00 -3.73 -0.33 0.00 -0.51 0.00 0.00 58.31 53.74 1yut n LYS 91 Cb 0.06 -1.69 -0.11 0.00 -0.51 0.00 0.00 35.03 32.77 1yut n LYS 91 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1yut n ASP 92 N -0.35 0.97 0.01 4.39 8.00 0.98 -0.44 116.55 130.12 1yut n ASP 92 Ca 0.20 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 53.30 1yut n ASP 92 Cb 0.79 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1yut n ASP 92 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1yut n LEU 93 N 12.22 -0.16 -0.01 0.64 7.94 -1.26 -4.97 117.00 131.40 1yut n LEU 93 Ca 0.43 0.10 -0.02 0.00 -1.11 0.00 0.00 56.01 55.41 1yut n LEU 93 Cb 0.43 0.30 -0.01 0.00 0.53 0.00 0.00 43.42 44.67 1yut n LEU 93 CO 0.96 -0.07 -0.56 0.29 -1.11 0.00 0.00 177.39 176.90 1yut n LYS 94 N -2.27 0.05 -3.63 1.96 4.76 0.07 -5.06 118.16 114.02 1yut n LYS 94 Ca 0.00 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.20 1yut n LYS 94 Cb 0.00 -0.89 -0.17 0.00 -1.84 0.00 0.00 35.03 32.13 1yut n LYS 94 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1yut s ILE 95 N -2.04 -0.04 0.00 -0.18 1.01 0.42 -5.04 121.20 115.33 1yut s ILE 95 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1yut s ILE 95 Cb 0.01 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.91 1yut s ILE 95 CO 0.04 -0.23 0.00 -1.14 0.00 0.00 0.00 174.94 173.61 1yut n ARG 96 N 5.26 0.00 0.00 2.79 0.63 -1.26 -2.32 116.66 121.76 1yut n ARG 96 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1yut n ARG 96 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1yut n ARG 96 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1yut n LYS 97 N -1.52 0.00 -0.59 -0.14 5.02 -1.26 -5.02 118.16 114.65 1yut n LYS 97 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1yut n LYS 97 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1yut n LYS 97 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24