#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yvt n LEU 2 N 0.00 -4.16 -4.91 7.52 4.77 -1.26 -4.99 117.00 113.97 1yvt n LEU 2 Ca 0.00 1.73 -0.28 0.00 -0.03 0.00 0.00 56.01 57.43 1yvt n LEU 2 Cb 0.00 -2.33 0.08 0.00 -2.33 0.00 0.00 43.42 38.84 1yvt n LEU 2 CO 0.00 -2.77 0.73 -0.94 -1.33 0.00 0.00 177.39 173.08 1yvt s SER 3 N -0.29 4.74 0.20 -1.43 1.04 -1.26 -4.85 113.70 111.85 1yvt s SER 3 Ca -0.07 0.73 -0.11 0.00 0.48 0.00 0.00 55.95 56.98 1yvt s SER 3 Cb 0.00 -1.32 0.19 0.00 0.10 0.00 0.00 66.02 65.00 1yvt s SER 3 CO 0.18 -1.72 1.80 -0.65 0.98 0.00 0.00 173.24 173.82 1yvt h PRO 4 N -0.85 0.59 -0.69 4.02 0.11 -2.00 -1.01 132.00 132.17 1yvt h PRO 4 Ca -0.45 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1yvt h PRO 4 Cb 1.31 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1yvt h PRO 4 CO 0.64 0.39 0.46 0.00 -0.21 0.00 0.00 178.00 179.28 1yvt h ALA 5 N 1.31 0.88 -0.71 -0.75 0.00 -1.99 -1.35 119.26 116.65 1yvt h ALA 5 Ca 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1yvt h ALA 5 Cb 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1yvt h ALA 5 CO -0.17 0.30 0.37 -0.44 0.00 0.00 0.00 179.25 179.31 1yvt h ASP 6 N 0.94 0.90 -0.61 0.00 3.32 -1.74 0.04 116.42 119.27 1yvt h ASP 6 Ca 0.26 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1yvt h ASP 6 Cb -0.11 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 1yvt h ASP 6 CO -0.06 0.75 0.26 0.11 -1.72 0.00 0.00 179.24 178.58 1yvt h LYS 7 N 0.98 0.90 -0.35 3.56 1.57 -0.79 0.08 116.57 122.53 1yvt h LYS 7 Ca 0.25 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1yvt h LYS 7 Cb 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1yvt h LYS 7 CO -0.04 0.75 0.19 1.15 -0.57 0.00 0.00 179.45 180.93 1yvt h THR 8 N 0.84 1.15 -0.50 -0.16 2.02 -1.00 -0.93 112.91 114.33 1yvt h THR 8 Ca 0.20 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1yvt h THR 8 Cb 0.18 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1yvt h THR 8 CO -0.02 0.15 0.31 0.78 0.37 0.00 0.00 175.52 177.11 1yvt h ASN 9 N 0.44 0.59 -0.32 4.18 2.35 -0.61 -0.74 115.58 121.47 1yvt h ASN 9 Ca 0.12 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1yvt h ASN 9 Cb 0.08 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1yvt h ASN 9 CO -0.02 0.45 0.01 0.58 -1.65 0.00 0.00 177.43 176.81 1yvt h VAL 10 N 0.67 1.25 -0.68 2.81 2.07 -0.86 -1.66 116.25 119.86 1yvt h VAL 10 Ca 0.18 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1yvt h VAL 10 Cb -0.04 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1yvt h VAL 10 CO -0.04 0.30 0.32 0.11 0.02 0.00 0.00 177.57 178.28 1yvt h LYS 11 N 0.36 0.97 -0.08 1.57 1.57 -0.99 0.95 116.57 120.91 1yvt h LYS 11 Ca 0.09 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1yvt h LYS 11 Cb 0.42 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1yvt h LYS 11 CO 0.01 0.75 0.02 0.00 -0.57 0.00 0.00 179.45 179.66 1yvt h ALA 12 N 1.39 0.11 -0.20 3.86 0.00 -0.98 0.12 119.26 123.56 1yvt h ALA 12 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1yvt h ALA 12 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yvt h ALA 12 CO -0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 179.25 178.89 1yvt h ALA 13 N 0.80 0.28 -0.27 0.00 0.00 -1.12 -2.41 119.26 116.54 1yvt h ALA 13 Ca 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1yvt h ALA 13 Cb 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1yvt h ALA 13 CO 0.00 0.09 0.00 2.35 0.00 0.00 0.00 179.25 181.69 1yvt h TRP 14 N 0.11 0.41 -0.56 0.00 2.91 -0.82 -1.81 115.95 116.19 1yvt h TRP 14 Ca 0.05 -0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.08 1yvt h TRP 14 Cb 0.54 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.04 1yvt h TRP 14 CO 0.06 0.41 0.37 0.78 -1.03 0.00 0.00 178.44 179.03 1yvt h GLY 15 N 0.71 0.72 2.00 2.65 0.00 -0.27 -1.46 103.07 107.42 1yvt h GLY 15 Ca 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1yvt h GLY 15 CO 0.01 0.21 -0.13 0.50 0.00 0.00 0.00 176.54 177.13 1yvt h LYS 16 N 0.62 0.00 -0.67 4.80 1.79 -0.95 -3.17 116.57 118.99 1yvt h LYS 16 Ca 0.23 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1yvt h LYS 16 Cb 0.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1yvt h LYS 16 CO -0.06 0.13 0.29 0.28 -1.08 0.00 0.00 179.45 179.00 1yvt h VAL 17 N 0.00 1.24 0.00 0.50 2.07 -1.10 -3.47 116.25 115.48 1yvt h VAL 17 Ca -0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1yvt h VAL 17 Cb 0.86 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1yvt h VAL 17 CO 0.02 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.50 1yvt n GLY 18 N -0.89 2.91 0.04 2.17 0.00 -1.20 -1.69 105.19 106.53 1yvt n GLY 18 Ca 0.05 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1yvt n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yvt n ALA 19 N 9.18 1.22 1.45 4.61 0.00 -1.26 -2.24 120.51 133.46 1yvt n ALA 19 Ca 0.00 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1yvt n ALA 19 Cb 0.00 -1.14 0.68 0.00 0.00 0.00 0.00 19.45 18.98 1yvt n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yvt n HIS 20 N -1.69 0.00 -0.41 0.00 -0.00 -0.68 -4.47 115.22 107.97 1yvt n HIS 20 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.62 1yvt n HIS 20 Cb 0.06 -0.20 -0.10 0.00 -0.00 0.00 0.00 29.99 29.76 1yvt n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yvt n ALA 21 N -1.04 -0.62 -0.25 -1.41 0.00 -0.95 -0.75 120.51 115.49 1yvt n ALA 21 Ca 0.15 0.83 -0.08 0.00 0.00 0.00 0.00 53.44 54.34 1yvt n ALA 21 Cb 0.26 -0.12 0.05 0.00 0.00 0.00 0.00 19.45 19.63 1yvt n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yvt h GLY 22 N 0.00 1.23 1.02 0.00 0.00 -1.81 -1.04 103.07 102.46 1yvt h GLY 22 Ca 0.16 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1yvt h GLY 22 CO -0.91 0.73 0.52 -2.09 0.00 0.00 0.00 176.54 174.79 1yvt h GLU 23 N 1.07 1.19 -0.14 4.80 4.81 -1.68 -0.82 114.58 123.81 1yvt h GLU 23 Ca 0.22 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1yvt h GLU 23 Cb 0.41 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1yvt h GLU 23 CO 0.01 0.84 -0.50 1.88 -0.73 0.00 0.00 179.01 180.51 1yvt h TYR 24 N 1.20 0.45 -0.51 0.92 0.05 -0.55 -1.09 116.97 117.45 1yvt h TYR 24 Ca 0.31 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1yvt h TYR 24 Cb -0.04 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 1yvt h TYR 24 CO 0.00 0.79 0.27 0.78 -1.05 0.00 0.00 178.16 178.95 1yvt h GLY 25 N 1.23 0.77 1.05 3.88 0.00 -0.67 0.65 103.07 109.98 1yvt h GLY 25 Ca 0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1yvt h GLY 25 CO 0.08 0.34 0.03 0.00 0.00 0.00 0.00 176.54 177.00 1yvt h ALA 26 N 1.11 0.79 -0.74 3.60 0.00 -0.93 -1.90 119.26 121.18 1yvt h ALA 26 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1yvt h ALA 26 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1yvt h ALA 26 CO -0.03 0.60 0.22 1.49 0.00 0.00 0.00 179.25 181.53 1yvt h GLU 27 N 0.91 1.16 -0.69 0.00 4.81 -0.94 -1.18 114.58 118.66 1yvt h GLU 27 Ca 0.17 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1yvt h GLU 27 Cb 0.51 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1yvt h GLU 27 CO 0.02 1.00 0.33 0.00 -0.73 0.00 0.00 179.01 179.63 1yvt h ALA 28 N 1.11 0.90 -0.11 2.92 0.00 -0.60 -0.27 119.26 123.21 1yvt h ALA 28 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yvt h ALA 28 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1yvt h ALA 28 CO -0.00 0.47 0.06 -0.07 0.00 0.00 0.00 179.25 179.70 1yvt h LEU 29 N 0.97 0.13 -0.55 0.00 3.38 -1.09 -1.19 115.31 116.96 1yvt h LEU 29 Ca 0.24 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1yvt h LEU 29 Cb 0.13 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1yvt h LEU 29 CO -0.03 0.16 0.32 -0.08 0.09 0.00 0.00 178.44 178.91 1yvt h GLU 30 N 0.09 0.62 -0.79 1.13 4.81 -0.92 -0.52 114.58 119.00 1yvt h GLU 30 Ca 0.04 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1yvt h GLU 30 Cb 0.06 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1yvt h GLU 30 CO -0.01 0.41 0.52 0.00 -0.73 0.00 0.00 179.01 179.20 1yvt h ARG 31 N 0.63 0.99 -0.26 1.92 3.08 -0.87 -1.17 114.38 118.71 1yvt h ARG 31 Ca 0.23 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1yvt h ARG 31 Cb 0.05 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1yvt h ARG 31 CO -0.11 0.65 0.04 1.98 -1.07 0.00 0.00 179.97 181.46 1yvt h MET 32 N 1.02 0.43 -0.57 0.04 4.05 -0.44 0.00 114.93 119.47 1yvt h MET 32 Ca 0.30 -0.12 -0.07 0.00 -0.28 0.00 0.00 59.70 59.53 1yvt h MET 32 Cb -0.04 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1yvt h MET 32 CO -0.08 0.56 0.06 0.74 0.23 0.00 0.00 176.91 178.42 1yvt h PHE 33 N 0.24 0.99 -0.00 1.39 0.04 -0.73 0.14 116.94 119.00 1yvt h PHE 33 Ca 0.08 -0.13 -0.20 0.00 2.80 0.00 0.00 57.97 60.51 1yvt h PHE 33 Cb 0.34 -0.27 0.02 0.00 2.20 0.00 0.00 35.95 38.23 1yvt h PHE 33 CO 0.02 0.86 -0.79 -0.07 -0.60 0.00 0.00 178.31 177.73 1yvt h LEU 34 N 0.87 0.70 -0.11 1.54 3.38 -1.19 -3.26 115.31 117.24 1yvt h LEU 34 Ca 0.17 -0.75 -0.24 0.00 0.09 0.00 0.00 57.88 57.15 1yvt h LEU 34 Cb 0.43 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1yvt h LEU 34 CO 0.01 1.36 -1.00 0.28 0.09 0.00 0.00 178.44 179.18 1yvt h SER 35 N 0.11 0.55 -2.65 -0.43 0.02 -0.97 -3.39 113.55 106.80 1yvt h SER 35 Ca -0.10 -0.47 -0.60 0.00 -0.84 0.00 0.00 61.79 59.78 1yvt h SER 35 Cb 1.48 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 63.44 1yvt h SER 35 CO 0.16 1.28 -0.75 0.49 -1.14 0.00 0.00 176.83 176.86 1yvt n PHE 36 N -3.73 1.67 -0.23 3.45 3.72 0.49 -4.98 117.46 117.85 1yvt n PHE 36 Ca -0.07 -3.91 0.32 0.00 -0.05 0.00 0.00 57.45 53.73 1yvt n PHE 36 Cb 0.87 -0.31 0.69 0.00 -0.94 0.00 0.00 39.48 39.79 1yvt n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yvt h PRO 37 N 5.19 0.00 -0.05 -1.08 0.11 -1.74 -1.54 132.00 132.89 1yvt h PRO 37 Ca 0.19 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.31 1yvt h PRO 37 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1yvt h PRO 37 CO 0.60 0.00 0.04 1.79 -0.21 0.00 0.00 178.00 180.22 1yvt h THR 38 N 0.00 0.83 0.00 -1.15 1.35 -1.91 -2.43 112.91 109.60 1yvt h THR 38 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 1yvt h THR 38 Cb 2.26 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1yvt h THR 38 CO -0.01 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.97 1yvt h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.59 -3.18 112.91 116.30 1yvt h THR 39 Ca 0.02 -0.38 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 1yvt h THR 39 Cb 0.10 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1yvt h THR 39 CO -0.00 0.00 -0.13 0.11 -0.25 0.00 0.00 175.52 175.25 1yvt h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.63 -3.00 116.57 118.22 1yvt h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yvt h LYS 40 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1yvt h LYS 40 CO 0.00 0.13 0.00 1.79 -0.57 0.00 0.00 179.45 180.80 1yvt h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.76 -0.39 112.91 111.95 1yvt h THR 41 Ca -0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1yvt h THR 41 Cb 0.33 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1yvt h THR 41 CO 0.02 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.07 1yvt n TYR 42 N -2.48 0.62 -3.29 4.73 4.01 -1.13 -4.22 117.16 115.40 1yvt n TYR 42 Ca -0.00 0.19 -0.26 0.00 -0.16 0.00 0.00 57.90 57.66 1yvt n TYR 42 Cb 0.13 -0.81 -0.07 0.00 -0.31 0.00 0.00 39.34 38.28 1yvt n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yvt n PHE 43 N -2.02 3.20 0.02 -0.72 3.01 -0.16 -4.90 117.46 115.90 1yvt n PHE 43 Ca 0.05 -4.05 -0.08 0.00 1.01 0.00 0.00 57.45 54.38 1yvt n PHE 43 Cb 0.36 -0.52 0.08 0.00 -0.01 0.00 0.00 39.48 39.39 1yvt n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yvt h PRO 44 N 3.88 0.49 -0.07 -1.08 0.13 -1.75 -3.04 132.00 130.56 1yvt h PRO 44 Ca 0.17 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1yvt h PRO 44 Cb 0.66 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1yvt h PRO 44 CO 0.78 0.90 0.00 -2.39 -0.23 0.00 0.00 178.00 177.07 1yvt n HIS 45 N -3.96 0.09 -4.49 1.56 1.44 -1.26 -4.80 115.22 103.80 1yvt n HIS 45 Ca -0.03 -0.05 -0.34 0.00 -2.01 0.00 0.00 57.72 55.29 1yvt n HIS 45 Cb 0.59 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.59 1yvt n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yvt s PHE 46 N -1.91 3.04 -0.12 -1.40 0.40 -1.15 -5.10 117.98 111.74 1yvt s PHE 46 Ca 0.25 0.05 -0.18 0.00 -0.60 0.00 0.00 56.93 56.45 1yvt s PHE 46 Cb 0.12 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 1yvt s PHE 46 CO 0.20 0.33 0.47 0.34 0.70 0.00 0.00 175.22 177.26 1yvt s ASP 47 N -0.66 6.67 -0.07 1.36 2.15 -1.26 -4.96 116.67 119.90 1yvt s ASP 47 Ca 0.10 0.80 0.17 0.00 0.43 0.00 0.00 52.55 54.05 1yvt s ASP 47 Cb -0.12 -2.28 0.57 0.00 -0.30 0.00 0.00 42.92 40.79 1yvt s ASP 47 CO 0.02 -0.01 1.48 0.18 -0.17 0.00 0.00 175.17 176.68 1yvt n LEU 48 N 3.75 4.00 -4.75 -1.34 4.77 -1.26 -4.58 117.00 117.58 1yvt n LEU 48 Ca -0.07 -2.31 -0.32 0.00 -0.03 0.00 0.00 56.01 53.28 1yvt n LEU 48 Cb 0.52 -0.46 0.10 0.00 -2.33 0.00 0.00 43.42 41.24 1yvt n LEU 48 CO 0.43 0.81 0.71 -0.94 -1.33 0.00 0.00 177.39 177.07 1yvt s SER 49 N -1.09 4.34 0.35 -1.43 1.04 -1.26 -4.92 113.70 110.73 1yvt s SER 49 Ca 0.42 1.95 -0.28 0.00 0.48 0.00 0.00 55.95 58.52 1yvt s SER 49 Cb 0.26 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.72 1yvt s SER 49 CO 0.22 -2.15 1.34 1.57 0.98 0.00 0.00 173.24 175.20 1yvt n HIS 50 N -3.38 2.46 -0.83 5.02 -0.00 -1.26 -2.23 115.22 114.99 1yvt n HIS 50 Ca 0.10 0.52 0.00 0.00 0.46 0.00 0.00 57.72 58.80 1yvt n HIS 50 Cb 0.52 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 1yvt n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yvt n GLY 51 N 0.74 0.74 3.68 1.57 0.00 -1.26 -5.00 105.19 105.66 1yvt n GLY 51 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1yvt n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yvt s SER 52 N -2.47 6.59 0.55 1.61 0.15 -0.95 -4.88 113.70 114.30 1yvt s SER 52 Ca 0.00 2.49 0.24 0.00 0.70 0.00 0.00 55.95 59.38 1yvt s SER 52 Cb 0.00 -2.56 1.57 0.00 -1.71 0.00 0.00 66.02 63.32 1yvt s SER 52 CO 0.00 -0.91 2.19 0.00 1.20 0.00 0.00 173.24 175.73 1yvt h ALA 53 N 8.60 1.68 -0.09 5.45 0.00 -1.91 -0.34 119.26 132.65 1yvt h ALA 53 Ca -0.43 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 1yvt h ALA 53 Cb 1.20 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1yvt h ALA 53 CO 0.93 0.02 -0.66 1.96 0.00 0.00 0.00 179.25 181.51 1yvt h GLN 54 N 0.00 0.60 -0.48 0.00 4.20 -1.90 -0.08 115.11 117.45 1yvt h GLN 54 Ca -0.00 -0.53 -0.11 0.00 0.06 0.00 0.00 58.65 58.08 1yvt h GLN 54 Cb 0.04 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1yvt h GLN 54 CO 0.00 1.15 -0.13 0.28 -0.67 0.00 0.00 178.83 179.46 1yvt h VAL 55 N 0.22 1.26 -0.34 -0.54 2.07 -1.72 0.24 116.25 117.45 1yvt h VAL 55 Ca -0.06 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1yvt h VAL 55 Cb 1.31 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1yvt h VAL 55 CO 0.13 0.43 0.14 0.11 0.02 0.00 0.00 177.57 178.41 1yvt h LYS 56 N 0.79 0.50 -0.69 1.57 1.57 -1.03 0.14 116.57 119.44 1yvt h LYS 56 Ca 0.13 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1yvt h LYS 56 Cb 0.65 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1yvt h LYS 56 CO 0.05 0.49 0.16 0.78 -0.57 0.00 0.00 179.45 180.35 1yvt h GLY 57 N 0.40 1.19 1.97 3.86 0.00 -0.71 -2.56 103.07 107.22 1yvt h GLY 57 Ca 0.11 -0.76 -0.12 0.00 0.00 0.00 0.00 47.33 46.57 1yvt h GLY 57 CO -0.01 0.70 -0.56 0.84 0.00 0.00 0.00 176.54 177.52 1yvt h HIS 58 N 1.04 0.04 -0.52 5.60 -0.00 -0.23 -2.61 115.15 118.48 1yvt h HIS 58 Ca 0.22 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1yvt h HIS 58 Cb 0.38 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1yvt h HIS 58 CO 0.03 0.58 0.13 0.78 -0.00 0.00 0.00 177.93 179.45 1yvt h GLY 59 N 1.63 0.84 0.99 5.26 0.00 -0.38 -1.34 103.07 110.06 1yvt h GLY 59 Ca -0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1yvt h GLY 59 CO 0.07 0.44 0.07 1.70 0.00 0.00 0.00 176.54 178.83 1yvt h LYS 60 N 0.76 0.84 -0.54 4.80 3.11 -1.11 -0.88 116.57 123.54 1yvt h LYS 60 Ca 0.17 -0.23 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 1yvt h LYS 60 Cb 0.27 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.38 1yvt h LYS 60 CO -0.00 0.84 0.29 0.87 -2.81 0.00 0.00 179.45 178.64 1yvt h LYS 61 N 0.72 0.76 -0.24 1.90 1.57 -1.07 -0.44 116.57 119.78 1yvt h LYS 61 Ca 0.15 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1yvt h LYS 61 Cb 0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1yvt h LYS 61 CO 0.01 0.60 0.12 0.28 -0.57 0.00 0.00 179.45 179.89 1yvt h VAL 62 N 0.73 1.13 -0.76 0.50 2.07 -1.16 -1.44 116.25 117.32 1yvt h VAL 62 Ca 0.19 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1yvt h VAL 62 Cb 0.06 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1yvt h VAL 62 CO -0.03 0.13 0.49 0.00 0.02 0.00 0.00 177.57 178.18 1yvt h ALA 63 N 0.99 0.97 -0.63 1.67 0.00 -0.97 -1.04 119.26 120.26 1yvt h ALA 63 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1yvt h ALA 63 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1yvt h ALA 63 CO -0.01 0.33 0.24 -0.44 0.00 0.00 0.00 179.25 179.37 1yvt h ASP 64 N 0.99 0.85 -0.46 0.00 3.32 -0.74 0.65 116.42 121.03 1yvt h ASP 64 Ca 0.29 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 1yvt h ASP 64 Cb -0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1yvt h ASP 64 CO -0.08 0.77 -0.13 0.00 -1.72 0.00 0.00 179.24 178.07 1yvt h ALA 65 N 1.35 0.64 -0.69 3.45 0.00 -0.75 -1.35 119.26 121.92 1yvt h ALA 65 Ca 0.21 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1yvt h ALA 65 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1yvt h ALA 65 CO -0.02 0.56 0.16 -0.07 0.00 0.00 0.00 179.25 179.89 1yvt h LEU 66 N 0.75 1.04 -0.82 0.00 3.38 -0.68 -1.10 115.31 117.88 1yvt h LEU 66 Ca 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1yvt h LEU 66 Cb 0.69 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1yvt h LEU 66 CO 0.05 0.99 0.45 0.74 0.09 0.00 0.00 178.44 180.76 1yvt h THR 67 N 1.04 1.24 -0.83 0.22 2.02 -0.75 0.26 112.91 116.11 1yvt h THR 67 Ca 0.22 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1yvt h THR 67 Cb 0.37 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1yvt h THR 67 CO 0.00 0.27 0.38 -1.13 0.37 0.00 0.00 175.52 175.42 1yvt h ASN 68 N 1.14 1.10 -0.51 4.18 -0.00 -0.76 -0.38 115.58 120.35 1yvt h ASN 68 Ca 0.29 -0.14 -0.11 0.00 -0.00 0.00 0.00 56.30 56.34 1yvt h ASN 68 Cb 0.03 -0.28 -0.02 0.00 -0.00 0.00 0.00 38.32 38.05 1yvt h ASN 68 CO -0.05 0.94 -0.10 0.00 -0.00 0.00 0.00 177.43 178.22 1yvt h ALA 69 N 1.23 0.81 -0.35 1.57 0.00 -0.46 -1.74 119.26 120.32 1yvt h ALA 69 Ca 0.28 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1yvt h ALA 69 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1yvt h ALA 69 CO -0.03 0.66 0.10 0.28 0.00 0.00 0.00 179.25 180.26 1yvt h VAL 70 N 0.89 1.22 0.00 0.00 2.07 -0.52 -0.67 116.25 119.23 1yvt h VAL 70 Ca 0.14 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1yvt h VAL 70 Cb 0.66 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1yvt h VAL 70 CO 0.05 0.25 -0.16 0.00 0.02 0.00 0.00 177.57 177.73 1yvt h ALA 71 N 0.94 1.32 -1.04 1.67 0.00 -0.90 -3.06 119.26 118.18 1yvt h ALA 71 Ca 0.11 -0.14 -0.45 0.00 0.00 0.00 0.00 54.91 54.43 1yvt h ALA 71 Cb 0.28 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.63 1yvt h ALA 71 CO -0.00 0.19 -0.97 0.72 0.00 0.00 0.00 179.25 179.20 1yvt n HIS 72 N -3.73 2.20 0.27 0.00 -0.00 -0.67 -4.88 115.22 108.41 1yvt n HIS 72 Ca -0.02 -2.71 0.11 0.00 -0.00 0.00 0.00 57.72 55.11 1yvt n HIS 72 Cb 0.27 -0.25 0.75 0.00 -0.00 0.00 0.00 29.99 30.76 1yvt n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1yvt h VAL 73 N 3.14 0.81 -0.01 1.59 3.04 -1.01 -0.88 116.25 122.94 1yvt h VAL 73 Ca 0.11 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1yvt h VAL 73 Cb 1.16 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 1yvt h VAL 73 CO 0.61 0.00 -0.08 0.47 -1.01 0.00 0.00 177.57 177.56 1yvt n ASP 74 N -4.26 0.76 -2.64 3.17 8.00 -1.26 -3.84 116.55 116.48 1yvt n ASP 74 Ca -0.03 -0.94 -0.02 0.00 0.71 0.00 0.00 54.79 54.50 1yvt n ASP 74 Cb 0.09 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.22 1yvt n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yvt n ASP 75 N -0.61 1.92 -0.27 -2.24 2.03 -0.38 -4.95 116.55 112.05 1yvt n ASP 75 Ca 0.17 -2.23 -0.03 0.00 0.52 0.00 0.00 54.79 53.21 1yvt n ASP 75 Cb 0.28 -0.45 0.08 0.00 -0.72 0.00 0.00 41.12 40.31 1yvt n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yvt h MET 76 N 2.44 0.94 -0.77 -0.67 2.86 -1.56 -1.34 114.93 116.83 1yvt h MET 76 Ca -0.09 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1yvt h MET 76 Cb 1.34 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 1yvt h MET 76 CO 0.24 0.62 0.49 -1.35 1.06 0.00 0.00 176.91 177.97 1yvt h PRO 77 N 0.96 0.92 -0.08 -0.22 0.11 -1.92 -0.78 132.00 131.00 1yvt h PRO 77 Ca 0.30 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 1yvt h PRO 77 Cb -0.02 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 1yvt h PRO 77 CO -0.10 0.61 -0.05 -0.97 -0.21 0.00 0.00 178.00 177.29 1yvt h ASN 78 N 0.95 0.18 -0.76 -2.05 -0.73 -1.91 -2.16 115.58 109.10 1yvt h ASN 78 Ca 0.31 -0.44 0.07 0.00 1.87 0.00 0.00 56.30 58.11 1yvt h ASN 78 Cb 0.03 -0.05 -0.05 0.00 0.27 0.00 0.00 38.32 38.52 1yvt h ASN 78 CO -0.12 0.57 0.50 0.00 -0.37 0.00 0.00 177.43 178.01 1yvt h ALA 79 N 0.61 1.68 -0.41 1.57 0.00 -0.94 -2.14 119.26 119.64 1yvt h ALA 79 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yvt h ALA 79 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1yvt h ALA 79 CO 0.01 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1yvt n LEU 80 N -4.48 4.59 -0.15 0.00 4.77 -0.33 -4.70 117.00 116.70 1yvt n LEU 80 Ca 0.11 -2.91 -0.07 0.00 -0.03 0.00 0.00 56.01 53.11 1yvt n LEU 80 Cb 0.23 -0.59 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1yvt n LEU 80 CO 0.33 0.67 1.07 0.77 -1.33 0.00 0.00 177.39 178.90 1yvt h SER 81 N 2.77 0.54 -0.38 -1.43 4.64 -0.69 0.65 113.55 119.65 1yvt h SER 81 Ca 0.00 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1yvt h SER 81 Cb 1.61 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.55 1yvt h SER 81 CO 0.31 0.39 -0.03 0.00 -0.87 0.00 0.00 176.83 176.64 1yvt h ALA 82 N 1.17 1.08 -0.26 5.18 0.00 -1.84 -1.49 119.26 123.11 1yvt h ALA 82 Ca 0.17 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1yvt h ALA 82 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1yvt h ALA 82 CO -0.04 0.58 -0.31 -0.07 0.00 0.00 0.00 179.25 179.41 1yvt h LEU 83 N 0.73 0.56 -0.06 0.00 3.38 -1.80 -1.75 115.31 116.36 1yvt h LEU 83 Ca 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1yvt h LEU 83 Cb 0.48 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1yvt h LEU 83 CO 0.02 0.84 0.03 0.28 0.09 0.00 0.00 178.44 179.70 1yvt h SER 84 N 0.46 0.08 -0.42 -0.43 0.02 -0.42 -0.87 113.55 111.98 1yvt h SER 84 Ca 0.06 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1yvt h SER 84 Cb 0.77 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1yvt h SER 84 CO 0.06 0.19 0.26 0.44 -1.14 0.00 0.00 176.83 176.64 1yvt h ASP 85 N -0.02 0.43 -0.04 3.07 3.32 -1.18 -1.82 116.42 120.17 1yvt h ASP 85 Ca 0.02 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1yvt h ASP 85 Cb 0.12 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1yvt h ASP 85 CO -0.00 0.31 -0.06 0.25 -1.72 0.00 0.00 179.24 178.02 1yvt h LEU 86 N 0.53 -0.17 -0.73 1.55 5.85 -1.13 -0.53 115.31 120.68 1yvt h LEU 86 Ca 0.16 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 1yvt h LEU 86 Cb -0.02 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1yvt h LEU 86 CO -0.06 -0.08 -0.53 0.45 -0.34 0.00 0.00 178.44 177.88 1yvt h HIS 87 N -0.08 0.36 0.00 1.25 3.86 -1.07 -0.58 115.15 118.89 1yvt h HIS 87 Ca 0.04 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.04 1yvt h HIS 87 Cb 0.13 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1yvt h HIS 87 CO -0.15 0.76 -0.62 0.00 0.86 0.00 0.00 177.93 178.78 1yvt h ALA 88 N 1.22 0.10 0.41 2.45 0.00 -1.30 0.68 119.26 122.82 1yvt h ALA 88 Ca 0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1yvt h ALA 88 Cb 1.00 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1yvt h ALA 88 CO 0.08 0.40 -0.20 0.45 0.00 0.00 0.00 179.25 179.99 1yvt h HIS 89 N -1.00 -0.51 0.19 0.00 3.86 -1.24 -3.00 115.15 113.45 1yvt h HIS 89 Ca -0.14 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1yvt h HIS 89 Cb 0.86 0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1yvt h HIS 89 CO 0.05 -0.32 -0.09 -0.22 0.86 0.00 0.00 177.93 178.21 1yvt h LYS 90 N -1.09 -0.25 0.00 2.45 3.64 -1.50 -3.37 116.57 116.45 1yvt h LYS 90 Ca -0.06 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1yvt h LYS 90 Cb 0.42 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1yvt h LYS 90 CO 0.09 0.09 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.21 1yvt h LEU 91 N -0.96 0.00 -1.78 5.20 3.38 -1.23 -3.48 115.31 116.44 1yvt h LEU 91 Ca -0.03 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.50 1yvt h LEU 91 Cb 0.46 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.23 1yvt h LEU 91 CO 0.04 0.08 -0.84 0.54 0.09 0.00 0.00 178.44 178.35 1yvt n ARG 92 N -3.13 -4.50 -2.46 1.13 5.12 -0.83 -4.89 116.66 107.10 1yvt n ARG 92 Ca 0.03 0.56 -0.42 0.00 -1.93 0.00 0.00 57.85 56.09 1yvt n ARG 92 Cb 0.53 -5.02 -0.03 0.00 -1.16 0.00 0.00 32.46 26.78 1yvt n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1yvt s VAL 93 N -3.73 4.21 0.20 1.55 1.01 0.17 -4.96 120.40 118.85 1yvt s VAL 93 Ca 0.03 1.56 -0.32 0.00 0.00 0.00 0.00 61.98 63.24 1yvt s VAL 93 Cb -0.01 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1yvt s VAL 93 CO 0.83 0.04 1.66 -0.67 0.00 0.00 0.00 175.10 176.97 1yvt n ASP 94 N 4.75 3.70 -0.15 3.32 -0.08 -1.26 -4.85 116.55 121.97 1yvt n ASP 94 Ca 0.10 1.08 0.19 0.00 -1.51 0.00 0.00 54.79 54.64 1yvt n ASP 94 Cb 0.46 -1.53 0.57 0.00 2.34 0.00 0.00 41.12 42.96 1yvt n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1yvt h PRO 95 N 6.31 0.28 -0.04 -0.67 0.11 -1.99 0.97 132.00 136.97 1yvt h PRO 95 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1yvt h PRO 95 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1yvt h PRO 95 CO 0.92 0.18 -0.02 0.28 -0.21 0.00 0.00 178.00 179.15 1yvt h VAL 96 N 0.28 1.04 0.00 3.15 2.07 -2.02 -2.59 116.25 118.18 1yvt h VAL 96 Ca 0.37 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 1yvt h VAL 96 Cb 1.04 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1yvt h VAL 96 CO -0.09 0.06 -0.18 0.78 0.02 0.00 0.00 177.57 178.15 1yvt h ASN 97 N 0.05 0.00 0.00 0.57 -0.26 -1.16 -1.47 115.58 113.32 1yvt h ASN 97 Ca 0.01 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.65 1yvt h ASN 97 Cb 0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1yvt h ASN 97 CO 0.00 0.18 -0.29 -0.26 -1.06 0.00 0.00 177.43 176.00 1yvt h PHE 98 N 0.00 0.49 -0.44 1.19 0.04 -1.58 -1.82 116.94 114.82 1yvt h PHE 98 Ca -0.00 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 1yvt h PHE 98 Cb 0.40 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1yvt h PHE 98 CO 0.00 0.68 -0.06 0.87 -0.60 0.00 0.00 178.31 179.21 1yvt h LYS 99 N 0.38 0.75 -0.15 1.51 1.57 -1.38 -0.53 116.57 118.71 1yvt h LYS 99 Ca 0.05 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1yvt h LYS 99 Cb 0.71 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1yvt h LYS 99 CO 0.05 0.80 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.66 1yvt h LEU 100 N 0.69 0.27 -0.66 2.94 3.38 -1.19 -1.01 115.31 119.73 1yvt h LEU 100 Ca 0.13 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1yvt h LEU 100 Cb 0.51 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1yvt h LEU 100 CO 0.03 0.52 -0.16 0.25 0.09 0.00 0.00 178.44 179.16 1yvt h LEU 101 N 0.01 0.88 -0.67 1.67 5.85 -1.30 -1.87 115.31 119.89 1yvt h LEU 101 Ca 0.04 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1yvt h LEU 101 Cb 0.38 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1yvt h LEU 101 CO 0.01 1.04 0.43 0.28 -0.34 0.00 0.00 178.44 179.86 1yvt h SER 102 N 0.77 0.73 -0.35 1.25 0.02 -0.99 0.98 113.55 115.96 1yvt h SER 102 Ca 0.12 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1yvt h SER 102 Cb 0.69 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1yvt h SER 102 CO 0.05 0.52 0.18 -0.74 -1.14 0.00 0.00 176.83 175.70 1yvt h HIS 103 N 0.87 0.48 -0.16 3.45 -0.00 -0.92 -1.26 115.15 117.62 1yvt h HIS 103 Ca 0.26 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1yvt h HIS 103 Cb -0.05 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 1yvt h HIS 103 CO -0.04 0.40 -0.10 0.00 -0.00 0.00 0.00 177.93 178.20 1yvt h LEU 105 N 0.23 0.95 -0.59 0.00 3.38 -0.35 -1.38 115.31 117.56 1yvt h LEU 105 Ca 0.05 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1yvt h LEU 105 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1yvt h LEU 105 CO 0.02 1.09 0.14 -0.07 0.09 0.00 0.00 178.44 179.71 1yvt h LEU 106 N 0.80 0.90 -0.79 1.67 3.38 -0.61 -1.43 115.31 119.23 1yvt h LEU 106 Ca 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1yvt h LEU 106 Cb 0.67 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1yvt h LEU 106 CO 0.05 0.90 0.42 0.58 0.09 0.00 0.00 178.44 180.48 1yvt h VAL 107 N 0.86 1.24 -0.39 1.22 2.07 -1.00 0.33 116.25 120.58 1yvt h VAL 107 Ca 0.19 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1yvt h VAL 107 Cb 0.35 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1yvt h VAL 107 CO 0.00 0.27 0.09 0.74 0.02 0.00 0.00 177.57 178.70 1yvt h THR 108 N 1.10 1.23 -0.59 2.57 2.02 -1.04 0.48 112.91 118.68 1yvt h THR 108 Ca 0.28 -0.79 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 1yvt h THR 108 Cb 0.06 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1yvt h THR 108 CO -0.04 0.27 0.07 -0.07 0.37 0.00 0.00 175.52 176.12 1yvt h LEU 109 N 0.48 0.97 -0.92 2.58 3.38 -1.04 -2.36 115.31 118.40 1yvt h LEU 109 Ca 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1yvt h LEU 109 Cb 0.32 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1yvt h LEU 109 CO 0.00 1.00 0.27 0.00 0.09 0.00 0.00 178.44 179.80 1yvt h ALA 110 N 1.00 1.14 0.00 1.53 0.00 -0.68 0.43 119.26 122.69 1yvt h ALA 110 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yvt h ALA 110 Cb 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1yvt h ALA 110 CO 0.02 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1yvt h ALA 111 N 1.26 1.00 0.00 0.00 0.00 -0.57 -3.32 119.26 117.63 1yvt h ALA 111 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1yvt h ALA 111 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1yvt h ALA 111 CO -0.02 0.00 -0.63 0.72 0.00 0.00 0.00 179.25 179.32 1yvt n HIS 112 N -2.72 0.00 -3.16 0.00 -0.00 -0.92 -4.82 115.22 103.60 1yvt n HIS 112 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.50 1yvt n HIS 112 Cb 0.30 -0.05 -0.05 0.00 -0.00 0.00 0.00 29.99 30.19 1yvt n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yvt n LEU 113 N -1.34 2.38 -0.31 2.41 7.99 0.10 -4.95 117.00 123.28 1yvt n LEU 113 Ca 0.00 -5.23 0.09 0.00 -0.01 0.00 0.00 56.01 50.86 1yvt n LEU 113 Cb 0.12 0.04 0.25 0.00 -0.11 0.00 0.00 43.42 43.72 1yvt n LEU 113 CO 0.13 2.22 1.11 1.55 -1.51 0.00 0.00 177.39 180.89 1yvt h PRO 114 N 3.44 0.60 -0.10 3.23 0.13 -1.82 0.13 132.00 137.61 1yvt h PRO 114 Ca 0.12 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 65.03 1yvt h PRO 114 Cb 0.75 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1yvt h PRO 114 CO 0.66 0.40 -0.72 0.00 -0.23 0.00 0.00 178.00 178.10 1yvt h ALA 115 N 1.59 0.55 0.00 -0.56 0.00 -1.95 -3.32 119.26 115.57 1yvt h ALA 115 Ca 0.49 -0.60 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1yvt h ALA 115 Cb 0.73 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1yvt h ALA 115 CO -0.38 0.74 -1.14 0.93 0.00 0.00 0.00 179.25 179.39 1yvt h GLU 116 N 0.34 0.00 -2.94 0.00 3.07 -1.84 -3.39 114.58 109.82 1yvt h GLU 116 Ca -0.03 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.32 1yvt h GLU 116 Cb 1.30 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.22 1yvt h GLU 116 CO 0.13 0.67 2.82 0.34 -1.40 0.00 0.00 179.01 181.57 1yvt n PHE 117 N -3.18 1.74 -1.66 4.33 7.35 -0.02 -4.68 117.46 121.33 1yvt n PHE 117 Ca -0.05 -2.52 -0.29 0.00 -0.76 0.00 0.00 57.45 53.83 1yvt n PHE 117 Cb 0.91 -2.12 0.10 0.00 0.35 0.00 0.00 39.48 38.72 1yvt n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yvt s THR 118 N 2.28 2.52 0.31 -2.13 -4.23 -1.26 -4.74 115.64 108.39 1yvt s THR 118 Ca 0.61 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 61.28 1yvt s THR 118 Cb 0.18 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 71.29 1yvt s THR 118 CO -0.04 -0.22 1.96 -0.65 -0.54 0.00 0.00 174.62 175.13 1yvt h PRO 119 N -1.17 1.04 -0.48 3.99 0.11 -1.99 0.22 132.00 133.72 1yvt h PRO 119 Ca -0.48 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 1yvt h PRO 119 Cb 1.30 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1yvt h PRO 119 CO 0.62 0.69 0.02 0.00 -0.21 0.00 0.00 178.00 179.12 1yvt h ALA 120 N 1.50 0.65 -0.15 -0.75 0.00 -1.95 -1.28 119.26 117.27 1yvt h ALA 120 Ca 0.31 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1yvt h ALA 120 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1yvt h ALA 120 CO -0.08 0.43 -0.61 0.28 0.00 0.00 0.00 179.25 179.28 1yvt h VAL 121 N 0.70 1.34 -0.45 0.00 2.07 -1.76 -1.44 116.25 116.70 1yvt h VAL 121 Ca 0.14 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.78 1yvt h VAL 121 Cb 0.48 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1yvt h VAL 121 CO 0.02 0.58 0.28 -0.74 0.02 0.00 0.00 177.57 177.74 1yvt h HIS 122 N 0.38 0.53 -0.46 1.57 6.17 -0.42 -0.42 115.15 122.51 1yvt h HIS 122 Ca -0.01 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 1yvt h HIS 122 Cb 1.16 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.89 1yvt h HIS 122 CO 0.05 0.32 0.23 0.00 0.71 0.00 0.00 177.93 179.24 1yvt h ALA 123 N 1.19 0.59 -0.59 5.26 0.00 -0.98 -0.38 119.26 124.34 1yvt h ALA 123 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1yvt h ALA 123 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1yvt h ALA 123 CO -0.06 0.13 0.35 0.77 0.00 0.00 0.00 179.25 180.43 1yvt h SER 124 N 0.59 0.72 -0.75 0.00 0.02 -0.81 -1.11 113.55 112.22 1yvt h SER 124 Ca 0.16 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1yvt h SER 124 Cb 0.09 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1yvt h SER 124 CO -0.02 0.59 0.38 -0.07 -1.14 0.00 0.00 176.83 176.57 1yvt h LEU 125 N 0.80 0.96 -0.51 5.07 3.38 -0.90 0.38 115.31 124.49 1yvt h LEU 125 Ca 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1yvt h LEU 125 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1yvt h LEU 125 CO -0.04 0.80 0.29 -0.78 0.09 0.00 0.00 178.44 178.80 1yvt h ASP 126 N 1.04 0.62 -0.43 -0.43 3.58 -0.70 0.91 116.42 121.02 1yvt h ASP 126 Ca 0.26 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 1yvt h ASP 126 Cb 0.08 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1yvt h ASP 126 CO -0.04 0.52 0.02 0.11 -2.88 0.00 0.00 179.24 176.98 1yvt h LYS 127 N 0.67 0.82 -0.16 0.28 1.57 -0.84 0.67 116.57 119.58 1yvt h LYS 127 Ca 0.18 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1yvt h LYS 127 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1yvt h LYS 127 CO -0.03 0.81 0.05 0.35 -0.57 0.00 0.00 179.45 180.05 1yvt h PHE 128 N 0.77 0.25 -0.04 -1.35 3.57 -0.41 -0.71 116.94 119.01 1yvt h PHE 128 Ca 0.15 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1yvt h PHE 128 Cb 0.43 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1yvt h PHE 128 CO 0.02 0.37 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.02 1yvt h LEU 129 N 0.07 0.09 -0.72 0.59 3.38 -0.62 -0.50 115.31 117.59 1yvt h LEU 129 Ca 0.05 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1yvt h LEU 129 Cb 0.23 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1yvt h LEU 129 CO -0.00 0.47 -0.04 0.00 0.09 0.00 0.00 178.44 178.96 1yvt h ALA 130 N 1.54 0.92 -0.38 1.53 0.00 -0.61 0.46 119.26 122.71 1yvt h ALA 130 Ca 0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1yvt h ALA 130 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1yvt h ALA 130 CO 0.05 0.64 -0.15 0.77 0.00 0.00 0.00 179.25 180.56 1yvt h SER 131 N 0.86 0.80 -0.29 0.00 0.02 -0.42 -0.20 113.55 114.32 1yvt h SER 131 Ca 0.15 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1yvt h SER 131 Cb 0.56 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1yvt h SER 131 CO 0.03 1.01 0.17 0.58 -1.14 0.00 0.00 176.83 177.48 1yvt h VAL 132 N 0.58 1.11 -0.94 2.27 2.07 -0.95 -1.76 116.25 118.63 1yvt h VAL 132 Ca 0.09 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1yvt h VAL 132 Cb 0.69 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1yvt h VAL 132 CO 0.05 0.11 0.55 0.28 0.02 0.00 0.00 177.57 178.58 1yvt h SER 133 N 0.37 1.14 -0.46 0.57 0.02 -0.79 -0.32 113.55 114.08 1yvt h SER 133 Ca 0.10 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1yvt h SER 133 Cb 0.02 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1yvt h SER 133 CO -0.02 0.88 0.29 0.74 -1.14 0.00 0.00 176.83 177.58 1yvt h THR 134 N 1.30 1.13 -0.49 -2.27 2.02 -0.67 -1.14 112.91 112.78 1yvt h THR 134 Ca 0.33 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 1yvt h THR 134 Cb -0.04 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1yvt h THR 134 CO -0.06 0.13 0.17 0.58 0.37 0.00 0.00 175.52 176.71 1yvt h VAL 135 N 0.61 1.22 0.00 3.16 2.07 -1.02 -1.62 116.25 120.67 1yvt h VAL 135 Ca 0.17 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1yvt h VAL 135 Cb -0.04 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1yvt h VAL 135 CO -0.03 0.26 0.00 -0.07 0.02 0.00 0.00 177.57 177.75 1yvt h LEU 136 N 0.65 0.00 -2.62 2.57 3.38 -0.59 -1.99 115.31 116.71 1yvt h LEU 136 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1yvt h LEU 136 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1yvt h LEU 136 CO -0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.87 1yvt n THR 137 N -2.77 0.82 0.39 0.22 -2.24 -0.47 -4.42 114.28 105.81 1yvt n THR 137 Ca 0.01 -0.91 0.14 0.00 -2.27 0.00 0.00 64.05 61.01 1yvt n THR 137 Cb 0.25 0.64 0.44 0.00 -2.10 0.00 0.00 70.33 69.57 1yvt n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1yvt h SER 138 N 2.78 0.00 -0.23 3.42 4.64 -0.50 -2.70 113.55 120.97 1yvt h SER 138 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1yvt h SER 138 Cb 0.78 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 1yvt h SER 138 CO 0.00 0.00 0.06 0.29 -0.87 0.00 0.00 176.83 176.31 1yvt n LYS 139 N -2.66 2.00 -0.00 4.77 4.76 -1.26 -1.65 118.16 124.13 1yvt n LYS 139 Ca 0.03 -1.00 0.02 0.00 -2.87 0.00 0.00 58.31 54.49 1yvt n LYS 139 Cb 0.37 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 1yvt n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1yvt n TYR 140 N 0.13 0.00 0.09 2.13 4.01 -1.02 -4.79 117.16 117.72 1yvt n TYR 140 Ca 0.12 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.87 1yvt n TYR 140 Cb 0.66 -0.08 0.01 0.00 -0.31 0.00 0.00 39.34 39.62 1yvt n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94