#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvl h TYR 38 N 0.00 0.20 -0.00 -5.13 -1.99 -1.95 -0.06 116.97 108.04 3kvl h TYR 38 Ca 0.00 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 3kvl h TYR 38 Cb 0.00 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 3kvl h TYR 38 CO 0.00 0.52 -0.48 0.00 -0.00 0.00 0.00 178.16 178.20 3kvl h ALA 39 N 0.65 1.20 0.00 3.88 0.00 -1.85 -1.55 119.26 121.59 3kvl h ALA 39 Ca 0.02 -0.44 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 3kvl h ALA 39 Cb 0.46 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3kvl h ALA 39 CO 0.01 0.61 -2.25 0.39 0.00 0.00 0.00 179.25 178.01 3kvl n GLU 40 N -3.96 0.71 0.07 0.00 1.02 -1.23 -4.67 120.64 112.57 3kvl n GLU 40 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3kvl n GLU 40 Cb 0.50 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3kvl n GLU 40 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kvl n HIS 41 N -2.59 -0.91 0.08 -0.32 8.25 -0.14 -4.77 115.22 114.82 3kvl n HIS 41 Ca -0.24 0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.26 3kvl n HIS 41 Cb 0.97 0.29 -0.08 0.00 1.12 0.00 0.00 29.99 32.28 3kvl n HIS 41 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kvl h LEU 42 N 0.00 -0.19 -0.27 2.41 6.46 -1.30 -1.88 115.31 120.53 3kvl h LEU 42 Ca 0.00 -0.31 -0.00 0.00 -0.12 0.00 0.00 57.88 57.45 3kvl h LEU 42 Cb 0.16 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3kvl h LEU 42 CO 0.00 0.24 0.15 0.24 -0.62 0.00 0.00 178.44 178.45 3kvl h MET 43 N -0.68 0.37 -0.52 1.25 2.86 -1.52 0.26 114.93 116.95 3kvl h MET 43 Ca -0.02 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3kvl h MET 43 Cb 0.49 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3kvl h MET 43 CO 0.04 0.32 0.31 -1.35 1.06 0.00 0.00 176.91 177.29 3kvl h PRO 44 N 0.32 0.70 -0.12 -0.22 0.11 -1.74 0.68 132.00 131.72 3kvl h PRO 44 Ca 0.09 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.94 3kvl h PRO 44 Cb 0.06 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3kvl h PRO 44 CO -0.02 0.49 -0.76 1.15 -0.21 0.00 0.00 178.00 178.66 3kvl h THR 45 N 0.71 1.32 -0.02 -1.15 2.02 -0.81 -2.87 112.91 112.12 3kvl h THR 45 Ca 0.19 -2.04 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 3kvl h THR 45 Cb -0.02 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3kvl h THR 45 CO -0.03 0.63 -0.01 0.25 0.37 0.00 0.00 175.52 176.73 3kvl h LEU 46 N 0.43 0.04 -2.49 2.58 5.85 -0.07 -3.07 115.31 118.58 3kvl h LEU 46 Ca -0.04 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3kvl h LEU 46 Cb 1.36 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 3kvl h LEU 46 CO 0.15 0.42 -0.02 1.56 -0.34 0.00 0.00 178.44 180.21 3kvl h GLN 47 N -0.34 0.00 0.00 1.25 4.20 -0.94 0.12 115.11 119.39 3kvl h GLN 47 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kvl h GLN 47 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3kvl h GLN 47 CO 0.00 0.02 -0.04 0.41 -0.67 0.00 0.00 178.83 178.56 3kvl n GLY 48 N -1.00 -1.53 0.16 3.46 0.00 -1.08 -4.10 105.19 101.09 3kvl n GLY 48 Ca -0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 3kvl n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvl n LEU 49 N -1.69 2.64 -4.62 0.99 4.77 0.30 -5.01 117.00 114.37 3kvl n LEU 49 Ca 0.07 -0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.68 3kvl n LEU 49 Cb 0.36 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 3kvl n LEU 49 CO 0.28 0.71 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.94 3kvl s LEU 50 N -6.20 3.34 0.81 2.23 1.43 -0.54 -5.11 118.68 114.64 3kvl s LEU 50 Ca -0.24 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 3kvl s LEU 50 Cb 0.07 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.62 3kvl s LEU 50 CO 0.38 0.37 1.15 1.51 0.23 0.00 0.00 176.35 179.99 3kvl s ASP 51 N -0.87 3.83 0.37 2.29 -4.77 -1.26 -4.65 116.67 111.62 3kvl s ASP 51 Ca 0.13 2.14 0.05 0.00 -3.30 0.00 0.00 52.55 51.57 3kvl s ASP 51 Cb -0.11 -2.56 0.72 0.00 -1.09 0.00 0.00 42.92 39.87 3kvl s ASP 51 CO 0.02 -2.49 1.97 1.55 0.70 0.00 0.00 175.17 176.92 3kvl h PRO 52 N -1.08 0.58 -0.32 2.11 0.13 -1.93 -0.95 132.00 130.54 3kvl h PRO 52 Ca -0.45 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 3kvl h PRO 52 Cb 1.27 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3kvl h PRO 52 CO 0.47 0.47 -0.23 1.49 -0.23 0.00 0.00 178.00 179.98 3kvl h GLU 53 N 0.58 0.72 -0.74 0.86 4.81 -1.92 0.30 114.58 119.20 3kvl h GLU 53 Ca 0.14 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3kvl h GLU 53 Cb 0.10 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3kvl h GLU 53 CO -0.02 0.96 0.37 0.77 -0.73 0.00 0.00 179.01 180.36 3kvl h SER 54 N 0.49 0.95 -0.75 1.04 0.02 -1.83 -0.38 113.55 113.09 3kvl h SER 54 Ca 0.06 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3kvl h SER 54 Cb 0.78 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3kvl h SER 54 CO 0.06 0.81 0.32 0.00 -1.14 0.00 0.00 176.83 176.88 3kvl h ALA 55 N 1.19 0.97 -0.17 3.77 0.00 -1.04 -0.99 119.26 122.99 3kvl h ALA 55 Ca 0.26 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kvl h ALA 55 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kvl h ALA 55 CO -0.03 0.57 0.09 1.25 0.00 0.00 0.00 179.25 181.13 3kvl h HIS 56 N 1.07 0.23 -0.74 0.00 6.17 -0.48 0.01 115.15 121.41 3kvl h HIS 56 Ca 0.25 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.36 3kvl h HIS 56 Cb 0.18 -0.07 -0.05 0.00 2.52 0.00 0.00 27.41 29.99 3kvl h HIS 56 CO 0.01 0.23 0.47 0.00 0.71 0.00 0.00 177.93 179.35 3kvl h ARG 57 N 0.17 0.88 -0.52 5.26 3.08 -0.81 -0.58 114.38 121.86 3kvl h ARG 57 Ca 0.06 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 3kvl h ARG 57 Cb 0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3kvl h ARG 57 CO -0.01 0.58 -0.07 1.25 -1.07 0.00 0.00 179.97 180.66 3kvl h LEU 58 N 0.91 0.92 -0.67 3.04 5.85 -0.97 -1.96 115.31 122.43 3kvl h LEU 58 Ca 0.30 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 3kvl h LEU 58 Cb 0.02 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3kvl h LEU 58 CO -0.11 1.02 0.14 0.00 -0.34 0.00 0.00 178.44 179.15 3kvl h ALA 59 N 1.07 0.89 -0.48 1.25 0.00 -0.37 0.14 119.26 121.76 3kvl h ALA 59 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kvl h ALA 59 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kvl h ALA 59 CO 0.04 0.63 0.18 0.28 0.00 0.00 0.00 179.25 180.38 3kvl h VAL 60 N 1.02 1.22 0.11 0.00 2.07 -0.95 -1.11 116.25 118.61 3kvl h VAL 60 Ca 0.21 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3kvl h VAL 60 Cb 0.40 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3kvl h VAL 60 CO 0.01 0.25 -0.05 -0.09 0.02 0.00 0.00 177.57 177.71 3kvl h ARG 61 N 0.64 -0.14 -0.96 1.57 9.65 -1.03 0.35 114.38 124.45 3kvl h ARG 61 Ca 0.16 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.09 3kvl h ARG 61 Cb 0.22 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.78 3kvl h ARG 61 CO -0.01 -0.01 0.63 0.74 2.80 0.00 0.00 179.97 184.12 3kvl h PHE 62 N -0.24 1.17 -0.24 2.20 -1.00 -0.91 -1.32 116.94 116.59 3kvl h PHE 62 Ca -0.02 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.69 3kvl h PHE 62 Cb 0.20 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.37 3kvl h PHE 62 CO -0.04 0.66 -0.24 1.15 -1.61 0.00 0.00 178.31 178.23 3kvl h THR 63 N 1.20 1.32 -0.10 -1.55 2.02 -0.94 -0.96 112.91 113.89 3kvl h THR 63 Ca 0.39 -1.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.08 3kvl h THR 63 Cb 0.04 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3kvl h THR 63 CO -0.13 0.44 -0.28 0.77 0.37 0.00 0.00 175.52 176.69 3kvl h SER 64 N 0.28 0.18 0.28 4.18 4.64 -0.54 -0.95 113.55 121.63 3kvl h SER 64 Ca 0.04 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3kvl h SER 64 Cb 0.80 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3kvl h SER 64 CO 0.06 0.47 -0.03 0.18 -0.87 0.00 0.00 176.83 176.64 3kvl n LEU 65 N -4.15 0.25 -2.56 5.97 4.77 -0.53 -4.77 117.00 115.97 3kvl n LEU 65 Ca -0.01 0.06 -0.17 0.00 -0.03 0.00 0.00 56.01 55.85 3kvl n LEU 65 Cb 0.37 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3kvl n LEU 65 CO 0.39 0.04 0.12 0.61 -1.33 0.00 0.00 177.39 177.23 3kvl n GLY 66 N 1.19 -0.14 0.19 -0.72 0.00 -0.36 -4.91 105.19 100.43 3kvl n GLY 66 Ca 0.18 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3kvl n GLY 66 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kvl h LEU 67 N -1.65 0.00-10.28 0.99 3.38 -1.41 -3.46 115.31 102.89 3kvl h LEU 67 Ca -0.40 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.08 3kvl h LEU 67 Cb 1.26 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.05 3kvl h LEU 67 CO 0.40 0.00 0.40 -0.76 0.09 0.00 0.00 178.44 178.57 3kvl s LEU 68 N -5.71 3.42 0.48 1.67 1.02 -1.26 -5.03 118.68 113.28 3kvl s LEU 68 Ca 0.08 1.49 -0.22 0.00 0.02 0.00 0.00 54.13 55.50 3kvl s LEU 68 Cb 0.07 -4.49 -0.07 0.00 0.02 0.00 0.00 46.19 41.73 3kvl s LEU 68 CO 0.64 -0.73 1.19 -2.16 0.02 0.00 0.00 176.35 175.31 3kvl s PRO 69 N -4.63 3.63 0.01 1.29 0.04 -1.26 -4.96 135.00 129.11 3kvl s PRO 69 Ca 0.57 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.14 3kvl s PRO 69 Cb -0.10 -2.35 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 3kvl s PRO 69 CO 0.43 -0.68 1.46 0.50 0.04 0.00 0.00 177.00 178.76 3kvl s ARG 70 N -2.78 4.26 0.23 4.56 3.52 -1.26 -4.85 118.95 122.63 3kvl s ARG 70 Ca 0.66 2.05 -0.31 0.00 -0.13 0.00 0.00 55.73 58.00 3kvl s ARG 70 Cb -0.30 -3.59 -0.14 0.00 -1.56 0.00 0.00 34.95 29.36 3kvl s ARG 70 CO 0.36 -0.62 1.22 0.00 -0.81 0.00 0.00 175.30 175.45 3kvl n ALA 71 N 5.46 0.07 0.07 6.12 0.00 -1.09 -4.91 120.51 126.23 3kvl n ALA 71 Ca 0.14 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.79 3kvl n ALA 71 Cb 0.43 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.63 3kvl n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kvl h ARG 72 N 3.35 0.60 -6.33 0.00 3.08 -1.93 -3.45 114.38 109.70 3kvl h ARG 72 Ca -0.43 -0.77 -0.62 0.00 0.07 0.00 0.00 59.98 58.23 3kvl h ARG 72 Cb 1.32 0.25 0.03 0.00 0.08 0.00 0.00 29.97 31.64 3kvl h ARG 72 CO 0.70 1.34 0.96 0.34 -1.07 0.00 0.00 179.97 182.24 3kvl n PHE 73 N -3.87 2.25 -3.70 3.04 7.35 -1.26 -4.95 117.46 116.32 3kvl n PHE 73 Ca -0.13 0.15 -0.36 0.00 -0.76 0.00 0.00 57.45 56.35 3kvl n PHE 73 Cb 0.93 -2.60 -0.09 0.00 0.35 0.00 0.00 39.48 38.07 3kvl n PHE 73 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3kvl s GLN 74 N 2.92 4.10 0.15 -4.13 -0.21 -1.26 -5.06 119.66 116.18 3kvl s GLN 74 Ca 0.89 -0.26 -0.31 0.00 0.02 0.00 0.00 55.36 55.70 3kvl s GLN 74 Cb -0.73 -3.49 -0.09 0.00 1.00 0.00 0.00 33.01 29.70 3kvl s GLN 74 CO 0.49 0.14 1.44 -0.51 -2.12 0.00 0.00 175.29 174.73 3kvl s ASP 75 N 0.81 6.74 0.48 5.90 -0.00 -1.26 -5.01 116.67 124.33 3kvl s ASP 75 Ca 0.07 2.46 -0.04 0.00 -0.00 0.00 0.00 52.55 55.05 3kvl s ASP 75 Cb -0.13 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.18 3kvl s ASP 75 CO 0.02 -0.69 0.76 -0.94 -0.00 0.00 0.00 175.17 174.31 3kvl s SER 76 N 0.94 6.07 0.61 0.27 1.04 -1.26 -4.96 113.70 116.42 3kvl s SER 76 Ca 0.65 0.72 0.32 0.00 0.48 0.00 0.00 55.95 58.11 3kvl s SER 76 Cb -0.39 -2.01 1.81 0.00 0.10 0.00 0.00 66.02 65.53 3kvl s SER 76 CO 0.33 -0.65 2.15 0.44 0.98 0.00 0.00 173.24 176.49 3kvl h ASP 77 N 0.25 0.00 -0.07 7.02 3.45 -1.95 -1.56 116.42 123.56 3kvl h ASP 77 Ca -0.47 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.01 3kvl h ASP 77 Cb 1.22 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3kvl h ASP 77 CO 0.61 0.00 0.06 0.24 -1.57 0.00 0.00 179.24 178.58 3kvl h MET 78 N 0.00 0.00 -0.00 3.56 2.86 -1.93 -2.64 114.93 116.78 3kvl h MET 78 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3kvl h MET 78 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3kvl h MET 78 CO -0.00 0.00 -0.50 1.28 1.06 0.00 0.00 176.91 178.74 3kvl n LEU 79 N -4.18 0.91 -4.74 1.22 4.77 -0.59 -1.32 117.00 113.06 3kvl n LEU 79 Ca -0.01 -0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.31 3kvl n LEU 79 Cb 0.17 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3kvl n LEU 79 CO 0.31 0.19 0.96 -0.70 -1.33 0.00 0.00 177.39 176.82 3kvl s GLU 80 N -2.79 4.41 -0.03 3.23 2.12 -1.00 -3.54 118.70 121.11 3kvl s GLU 80 Ca 0.15 2.05 0.04 0.00 0.36 0.00 0.00 54.97 57.57 3kvl s GLU 80 Cb 0.18 -3.18 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 3kvl s GLU 80 CO 0.66 -0.19 -0.13 0.08 -0.54 0.00 0.00 175.26 175.13 3kvl s VAL 81 N -0.20 1.10 -0.27 3.70 1.01 0.04 -4.59 120.40 121.18 3kvl s VAL 81 Ca 0.54 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 3kvl s VAL 81 Cb -0.36 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.09 3kvl s VAL 81 CO 0.41 0.32 -0.01 -0.13 0.00 0.00 0.00 175.10 175.69 3kvl s ARG 82 N 0.01 2.92 0.10 2.72 0.52 -1.26 0.21 118.95 124.17 3kvl s ARG 82 Ca -0.01 -0.94 -0.25 0.00 -0.52 0.00 0.00 55.73 54.01 3kvl s ARG 82 Cb -0.09 -3.13 0.08 0.00 0.52 0.00 0.00 34.95 32.33 3kvl s ARG 82 CO 0.01 -0.42 0.72 0.54 0.02 0.00 0.00 175.30 176.17 3kvl s VAL 83 N 1.39 0.00 -1.87 3.52 0.11 -0.50 -4.94 120.40 118.10 3kvl s VAL 83 Ca 0.01 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 3kvl s VAL 83 Cb -0.17 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 3kvl s VAL 83 CO -0.02 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 171.93 3kvl n LEU 84 N -0.33 -1.53 0.00 2.54 4.77 -1.26 -1.27 117.00 119.93 3kvl n LEU 84 Ca -0.13 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3kvl n LEU 84 Cb 0.64 -2.70 0.00 0.00 -2.33 0.00 0.00 43.42 39.03 3kvl n LEU 84 CO 0.12 -0.70 0.00 0.61 -1.33 0.00 0.00 177.39 176.08 3kvl n GLY 85 N -0.58 0.51 3.14 -0.72 0.00 -1.26 -4.78 105.19 101.50 3kvl n GLY 85 Ca -0.20 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 3kvl n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kvl s HIS 86 N -2.00 0.63 -0.06 1.61 3.76 -0.39 -5.14 115.29 113.69 3kvl s HIS 86 Ca 0.00 -1.09 -0.15 0.00 -0.15 0.00 0.00 55.06 53.68 3kvl s HIS 86 Cb 0.00 -0.38 -0.05 0.00 1.11 0.00 0.00 32.58 33.26 3kvl s HIS 86 CO 0.00 -0.47 0.39 0.21 -0.85 0.00 0.00 174.74 174.01 3kvl s LYS 87 N -3.97 4.05 -0.21 1.40 2.20 -1.26 -1.41 119.74 120.53 3kvl s LYS 87 Ca 0.15 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 3kvl s LYS 87 Cb 0.07 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 3kvl s LYS 87 CO -0.05 0.50 -0.15 -0.06 -0.36 0.00 0.00 175.35 175.23 3kvl s PHE 88 N -0.41 2.92 0.37 4.03 0.40 0.13 -4.09 117.98 121.33 3kvl s PHE 88 Ca 0.22 -1.68 0.20 0.00 -0.60 0.00 0.00 56.93 55.08 3kvl s PHE 88 Cb -0.15 -1.96 1.08 0.00 0.51 0.00 0.00 43.02 42.49 3kvl s PHE 88 CO 0.10 -0.78 1.95 0.07 0.70 0.00 0.00 175.22 177.26 3kvl h ARG 89 N 7.94 0.00 -3.76 0.44 0.11 -1.03 0.14 114.38 118.21 3kvl h ARG 89 Ca -0.39 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.61 3kvl h ARG 89 Cb 1.12 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.06 3kvl h ARG 89 CO 0.60 0.23 -0.33 0.54 0.10 0.00 0.00 179.97 181.10 3kvl s ASN 90 N -6.54 0.07 -0.01 0.08 2.20 -1.25 -3.24 114.94 106.25 3kvl s ASN 90 Ca -0.03 -0.63 0.11 0.00 -0.94 0.00 0.00 52.86 51.37 3kvl s ASN 90 Cb 0.14 0.36 0.33 0.00 -2.00 0.00 0.00 41.25 40.07 3kvl s ASN 90 CO 0.65 -0.75 1.25 -0.81 -2.94 0.00 0.00 177.10 174.50 3kvl n PRO 91 N -0.09 1.95 -3.70 3.55 -0.04 -1.23 -4.23 135.00 131.21 3kvl n PRO 91 Ca -0.15 -1.33 -0.39 0.00 -0.04 0.00 0.00 63.50 61.60 3kvl n PRO 91 Cb 0.63 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.62 3kvl n PRO 91 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kvl s VAL 92 N -1.55 4.02 0.31 0.52 1.01 -1.26 -0.38 120.40 123.07 3kvl s VAL 92 Ca 0.24 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 61.23 3kvl s VAL 92 Cb 0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3kvl s VAL 92 CO 0.16 -0.22 0.12 -0.83 0.00 0.00 0.00 175.10 174.33 3kvl s GLY 93 N 1.49 1.81 -0.11 4.51 0.00 0.30 -0.34 107.32 114.98 3kvl s GLY 93 Ca -0.00 -1.73 -0.24 0.00 0.00 0.00 0.00 44.72 42.74 3kvl s GLY 93 CO 0.04 -1.71 0.75 -1.50 0.00 0.00 0.00 173.10 170.68 3kvl s ILE 94 N -2.37 4.98 0.70 0.90 1.10 -1.10 -1.46 121.20 123.96 3kvl s ILE 94 Ca 0.36 1.50 -0.12 0.00 -0.51 0.00 0.00 60.65 61.88 3kvl s ILE 94 Cb -0.04 -4.07 0.01 0.00 0.15 0.00 0.00 42.46 38.51 3kvl s ILE 94 CO 0.22 0.16 1.08 0.00 -2.11 0.00 0.00 174.94 174.29 3kvl s ALA 95 N 1.36 2.52 0.67 1.50 0.00 -0.70 -3.03 121.76 124.07 3kvl s ALA 95 Ca 0.37 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 3kvl s ALA 95 Cb -0.17 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3kvl s ALA 95 CO 0.16 -1.33 1.07 0.00 0.00 0.00 0.00 175.76 175.66 3kvl n ALA 96 N -2.94 0.31 0.00 0.00 0.00 -1.26 -3.65 120.51 112.97 3kvl n ALA 96 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kvl n ALA 96 Cb 0.53 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3kvl n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvl n GLY 97 N 1.10 1.95 0.08 0.00 0.00 0.38 -4.91 105.19 103.79 3kvl n GLY 97 Ca 0.14 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3kvl n GLY 97 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kvl h PHE 98 N 0.00 -0.06 -3.30 1.61 3.57 -1.80 -3.37 116.94 113.59 3kvl h PHE 98 Ca 0.00 -0.00 -0.72 0.00 3.53 0.00 0.00 57.97 60.78 3kvl h PHE 98 Cb 0.00 0.02 -0.34 0.00 2.79 0.00 0.00 35.95 38.41 3kvl h PHE 98 CO 0.00 0.58 -0.01 -3.47 -2.23 0.00 0.00 178.31 173.19 3kvl n ASP 99 N -4.77 4.43 0.19 0.41 2.03 -1.26 -4.90 116.55 112.67 3kvl n ASP 99 Ca -0.08 -3.14 0.03 0.00 0.52 0.00 0.00 54.79 52.12 3kvl n ASP 99 Cb 0.33 -1.09 0.38 0.00 -0.72 0.00 0.00 41.12 40.02 3kvl n ASP 99 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3kvl h LYS 100 N 5.99 0.00 -0.19 -0.67 1.57 -1.74 -2.18 116.57 119.35 3kvl h LYS 100 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kvl h LYS 100 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3kvl h LYS 100 CO 0.89 0.35 0.00 0.72 -0.57 0.00 0.00 179.45 180.85 3kvl n HIS 101 N -4.03 0.32 -2.71 -1.35 8.25 -1.26 -2.73 115.22 111.70 3kvl n HIS 101 Ca -0.02 -0.58 -0.10 0.00 -0.26 0.00 0.00 57.72 56.77 3kvl n HIS 101 Cb 0.40 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.46 3kvl n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kvl n GLY 102 N -0.09 0.22 0.03 -1.41 0.00 -1.22 -4.71 105.19 98.01 3kvl n GLY 102 Ca 0.09 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.86 3kvl n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kvl n GLU 103 N -2.22 0.40 -0.36 1.61 1.02 -1.26 -4.55 120.64 115.27 3kvl n GLU 103 Ca -0.03 -0.05 0.04 0.00 -0.02 0.00 0.00 57.16 57.11 3kvl n GLU 103 Cb 0.54 -1.58 0.07 0.00 -0.02 0.00 0.00 31.44 30.44 3kvl n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kvl n ALA 104 N -1.96 2.17 -0.08 0.62 0.00 -1.26 -4.62 120.51 115.39 3kvl n ALA 104 Ca 0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 53.44 51.57 3kvl n ALA 104 Cb 0.48 -0.45 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 3kvl n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kvl h VAL 105 N 3.91 0.87 -0.33 0.00 2.07 -1.94 -0.73 116.25 120.10 3kvl h VAL 105 Ca -0.01 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 3kvl h VAL 105 Cb 1.24 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3kvl h VAL 105 CO 0.00 0.03 -0.30 0.44 0.02 0.00 0.00 177.57 177.76 3kvl h ASP 106 N 0.17 0.74 -0.27 0.57 5.19 -1.93 -2.31 116.42 118.58 3kvl h ASP 106 Ca 0.13 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 3kvl h ASP 106 Cb 0.14 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 3kvl h ASP 106 CO -0.17 0.99 0.07 1.23 -3.12 0.00 0.00 179.24 178.24 3kvl h GLY 107 N 0.97 0.54 1.40 2.75 0.00 -1.59 -1.92 103.07 105.22 3kvl h GLY 107 Ca 0.07 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 3kvl h GLY 107 CO 0.07 0.27 -0.50 1.41 0.00 0.00 0.00 176.54 177.78 3kvl h LEU 108 N 0.50 0.70 -0.93 3.11 3.38 -0.67 -1.75 115.31 119.65 3kvl h LEU 108 Ca 0.12 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3kvl h LEU 108 Cb 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kvl h LEU 108 CO -0.00 1.08 0.05 1.88 0.09 0.00 0.00 178.44 181.54 3kvl h TYR 109 N 0.50 0.89 -0.01 1.13 0.99 -1.16 -2.24 116.97 117.06 3kvl h TYR 109 Ca 0.02 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.62 3kvl h TYR 109 Cb 1.05 -0.25 -0.00 0.00 1.00 0.00 0.00 36.73 38.53 3kvl h TYR 109 CO 0.05 0.78 -0.09 -0.22 -0.00 0.00 0.00 178.16 178.68 3kvl h LYS 110 N 0.79 0.02 0.00 4.88 3.64 -1.03 -1.23 116.57 123.65 3kvl h LYS 110 Ca 0.16 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3kvl h LYS 110 Cb 0.40 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3kvl h LYS 110 CO 0.01 0.11 0.00 1.98 -2.27 0.00 0.00 179.45 179.29 3kvl h MET 111 N 0.02 0.00 0.00 1.90 4.05 -0.70 -2.89 114.93 117.31 3kvl h MET 111 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3kvl h MET 111 Cb 0.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 3kvl h MET 111 CO 0.01 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.56 3kvl n GLY 112 N 0.34 0.95 3.76 1.39 0.00 -0.46 -4.66 105.19 106.50 3kvl n GLY 112 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3kvl n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kvl s PHE 113 N -2.00 3.10 -0.59 1.61 0.40 -1.17 -4.91 117.98 114.41 3kvl s PHE 113 Ca 0.00 1.34 0.25 0.00 -0.60 0.00 0.00 56.93 57.91 3kvl s PHE 113 Cb 0.00 -3.67 0.57 0.00 0.51 0.00 0.00 43.02 40.43 3kvl s PHE 113 CO 0.00 -1.93 1.68 0.78 0.70 0.00 0.00 175.22 176.45 3kvl h GLY 114 N 3.94 0.00 -3.23 4.36 0.00 -0.86 -3.43 103.07 103.86 3kvl h GLY 114 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3kvl h GLY 114 CO 0.69 0.00 0.11 -0.11 0.00 0.00 0.00 176.54 177.23 3kvl s PHE 115 N -3.16 -0.45 -0.05 5.60 -0.12 -1.25 -3.95 117.98 114.59 3kvl s PHE 115 Ca 0.09 0.33 0.05 0.00 -0.05 0.00 0.00 56.93 57.35 3kvl s PHE 115 Cb 0.09 0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 3kvl s PHE 115 CO 0.64 -0.75 -0.22 0.08 -0.05 0.00 0.00 175.22 174.92 3kvl s VAL 116 N -3.28 1.79 -0.15 -2.49 1.01 -0.99 -2.70 120.40 113.60 3kvl s VAL 116 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3kvl s VAL 116 Cb -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3kvl s VAL 116 CO -0.09 0.50 -0.18 -0.70 0.00 0.00 0.00 175.10 174.64 3kvl s GLU 117 N -0.03 3.15 0.31 2.72 2.12 -1.17 0.18 118.70 125.98 3kvl s GLU 117 Ca -0.05 -0.79 0.07 0.00 0.36 0.00 0.00 54.97 54.56 3kvl s GLU 117 Cb -0.13 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 3kvl s GLU 117 CO 0.03 0.02 0.33 0.96 -0.54 0.00 0.00 175.26 176.07 3kvl s ILE 118 N 0.77 3.98 0.00 -3.70 -4.36 -0.46 -4.16 121.20 113.27 3kvl s ILE 118 Ca -0.07 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 3kvl s ILE 118 Cb -0.16 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.21 3kvl s ILE 118 CO 0.00 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 175.58 3kvl n GLY 119 N -1.42 -0.91 3.77 6.27 0.00 -0.82 -0.50 105.19 111.58 3kvl n GLY 119 Ca -0.03 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 3kvl n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kvl s SER 120 N -2.24 6.72 -0.13 1.61 0.01 -1.26 -0.47 113.70 117.94 3kvl s SER 120 Ca 0.00 2.31 -0.03 0.00 1.31 0.00 0.00 55.95 59.54 3kvl s SER 120 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 3kvl s SER 120 CO 0.00 -0.53 -0.03 -0.69 0.41 0.00 0.00 173.24 172.40 3kvl s VAL 121 N -1.38 3.96 0.23 3.43 1.01 -0.07 -4.81 120.40 122.77 3kvl s VAL 121 Ca 0.54 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.22 3kvl s VAL 121 Cb -0.30 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3kvl s VAL 121 CO 0.38 0.53 0.27 0.42 0.00 0.00 0.00 175.10 176.70 3kvl s THR 122 N -0.07 4.86 0.09 3.92 -4.23 -1.26 -0.40 115.64 118.54 3kvl s THR 122 Ca 0.02 -1.15 -0.32 0.00 -1.18 0.00 0.00 61.69 59.07 3kvl s THR 122 Cb -0.13 -3.61 -0.15 0.00 1.34 0.00 0.00 72.50 69.95 3kvl s THR 122 CO 0.02 -0.30 1.62 -0.65 -0.54 0.00 0.00 174.62 174.77 3kvl h PRO 123 N 1.49 -0.76 -6.19 3.99 0.11 -1.87 -1.79 132.00 126.99 3kvl h PRO 123 Ca -0.50 0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 3kvl h PRO 123 Cb 1.23 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.49 3kvl h PRO 123 CO 0.62 -0.51 -0.35 0.15 -0.21 0.00 0.00 178.00 177.70 3kvl s LYS 124 N -6.02 3.52 0.52 1.05 -0.14 -1.26 -1.82 119.74 115.58 3kvl s LYS 124 Ca -0.17 -0.35 -0.23 0.00 -1.36 0.00 0.00 55.97 53.87 3kvl s LYS 124 Cb 0.05 -2.86 -0.06 0.00 -1.68 0.00 0.00 37.83 33.28 3kvl s LYS 124 CO 0.63 0.43 1.35 -2.30 -0.76 0.00 0.00 175.35 174.69 3kvl n PRO 125 N -0.54 1.78 -3.60 -1.68 -0.02 -1.26 -4.43 135.00 125.26 3kvl n PRO 125 Ca -0.05 0.65 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 3kvl n PRO 125 Cb 0.53 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 3kvl n PRO 125 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3kvl s GLN 126 N -2.73 1.01 0.27 -0.52 -2.07 -0.68 -4.95 119.66 109.99 3kvl s GLN 126 Ca 0.69 -0.28 0.20 0.00 -1.82 0.00 0.00 55.36 54.15 3kvl s GLN 126 Cb -0.43 0.46 0.09 0.00 -1.09 0.00 0.00 33.01 32.04 3kvl s GLN 126 CO 0.51 -0.36 1.26 0.93 -1.32 0.00 0.00 175.29 176.31 3kvl h GLU 127 N 2.83 0.00 0.00 9.60 5.08 -1.85 -1.49 114.58 128.75 3kvl h GLU 127 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3kvl h GLU 127 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3kvl h GLU 127 CO 0.42 0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.99 3kvl n GLY 128 N 1.20 -1.99 3.80 -3.84 0.00 -1.26 -4.47 105.19 98.63 3kvl n GLY 128 Ca -0.00 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3kvl n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kvl s ASN 129 N -4.00 5.41 0.71 1.61 0.01 0.12 -4.96 114.94 113.85 3kvl s ASN 129 Ca 0.00 1.76 -0.15 0.00 -0.71 0.00 0.00 52.86 53.76 3kvl s ASN 129 Cb 0.00 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 39.17 3kvl s ASN 129 CO 0.00 -1.42 1.21 -2.16 -1.51 0.00 0.00 177.10 173.22 3kvl s PRO 130 N -4.54 2.24 0.35 -0.60 0.04 -1.26 -4.94 135.00 126.30 3kvl s PRO 130 Ca 0.62 1.78 -0.09 0.00 0.04 0.00 0.00 61.00 63.34 3kvl s PRO 130 Cb -0.16 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3kvl s PRO 130 CO 0.46 -1.76 0.69 1.03 0.04 0.00 0.00 177.00 177.46 3kvl s ARG 131 N -3.84 3.76 0.51 4.56 0.52 -1.26 -4.18 118.95 119.02 3kvl s ARG 131 Ca 0.75 0.34 -0.19 0.00 -0.52 0.00 0.00 55.73 56.11 3kvl s ARG 131 Cb -0.30 -2.49 -0.08 0.00 0.52 0.00 0.00 34.95 32.61 3kvl s ARG 131 CO 0.44 0.08 1.02 -1.25 0.02 0.00 0.00 175.30 175.61 3kvl s PRO 132 N -3.60 3.79 0.00 3.54 0.04 -1.26 -5.14 135.00 132.37 3kvl s PRO 132 Ca 0.49 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3kvl s PRO 132 Cb -0.10 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3kvl s PRO 132 CO 0.29 -0.42 0.45 2.89 0.04 0.00 0.00 177.00 180.25 3kvl n ARG 133 N -1.26 0.00 -3.83 4.56 1.85 -1.26 -5.01 116.66 111.71 3kvl n ARG 133 Ca 0.08 -0.45 -0.12 0.00 -1.00 0.00 0.00 57.85 56.36 3kvl n ARG 133 Cb 0.53 -0.43 -0.13 0.00 -1.05 0.00 0.00 32.46 31.38 3kvl n ARG 133 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3kvl s VAL 134 N 0.00 -0.00 -0.04 8.89 -7.23 -1.26 0.03 120.40 120.78 3kvl s VAL 134 Ca 0.00 0.01 -0.02 0.00 -1.81 0.00 0.00 61.98 60.16 3kvl s VAL 134 Cb 0.00 -0.14 0.02 0.00 0.56 0.00 0.00 36.38 36.82 3kvl s VAL 134 CO 0.00 0.00 0.09 -0.36 -0.31 0.00 0.00 175.10 174.52 3kvl s PHE 135 N 0.11 -0.09 0.04 2.82 0.40 0.63 -4.70 117.98 117.20 3kvl s PHE 135 Ca -0.01 0.28 -0.16 0.00 -0.60 0.00 0.00 56.93 56.44 3kvl s PHE 135 Cb -0.01 -0.07 -0.06 0.00 0.51 0.00 0.00 43.02 43.39 3kvl s PHE 135 CO -0.00 -0.09 0.48 1.03 0.70 0.00 0.00 175.22 177.33 3kvl s ARG 136 N 0.64 4.03 -0.70 0.44 0.52 -1.26 -1.08 118.95 121.53 3kvl s ARG 136 Ca -0.05 0.54 0.05 0.00 -0.52 0.00 0.00 55.73 55.75 3kvl s ARG 136 Cb -0.07 -3.21 0.19 0.00 0.52 0.00 0.00 34.95 32.38 3kvl s ARG 136 CO -0.03 0.66 0.59 1.28 0.02 0.00 0.00 175.30 177.82 3kvl n LEU 137 N 1.72 3.32 -0.09 2.53 4.32 0.35 -4.76 117.00 124.38 3kvl n LEU 137 Ca -0.12 -5.28 0.03 0.00 -0.02 0.00 0.00 56.01 50.62 3kvl n LEU 137 Cb 0.52 -0.75 0.36 0.00 -1.62 0.00 0.00 43.42 41.92 3kvl n LEU 137 CO 0.39 1.83 1.19 1.55 -1.22 0.00 0.00 177.39 181.14 3kvl h PRO 138 N 5.07 0.70 0.00 3.23 0.13 -1.96 -0.17 132.00 139.00 3kvl h PRO 138 Ca 0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3kvl h PRO 138 Cb 0.73 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.70 3kvl h PRO 138 CO 0.76 0.47 0.00 0.93 -0.23 0.00 0.00 178.00 179.93 3kvl h GLU 139 N 0.73 0.00 -0.01 0.86 3.07 -1.94 -2.47 114.58 114.81 3kvl h GLU 139 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3kvl h GLU 139 Cb -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3kvl h GLU 139 CO -0.05 0.00 -0.08 -0.25 -1.40 0.00 0.00 179.01 177.23 3kvl n ASP 140 N -2.94 1.57 -3.93 1.42 8.00 -0.17 -4.84 116.55 115.64 3kvl n ASP 140 Ca -0.02 -1.28 -0.25 0.00 0.71 0.00 0.00 54.79 53.95 3kvl n ASP 140 Cb 0.14 0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.42 3kvl n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kvl n GLN 141 N 0.22 -3.52 -4.21 -1.24 6.02 -0.63 -4.24 117.38 109.79 3kvl n GLN 141 Ca 0.05 0.43 -0.12 0.00 -0.01 0.00 0.00 57.00 57.35 3kvl n GLN 141 Cb 0.23 -4.64 -0.10 0.00 1.02 0.00 0.00 30.24 26.75 3kvl n GLN 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kvl s ALA 142 N -3.89 1.17 0.05 -1.58 0.00 -0.92 -1.97 121.76 114.61 3kvl s ALA 142 Ca 0.04 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.57 3kvl s ALA 142 Cb -0.02 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 3kvl s ALA 142 CO 0.88 -0.29 -0.13 0.08 0.00 0.00 0.00 175.76 176.30 3kvl s VAL 143 N -3.66 1.01 -0.10 0.00 1.01 -1.06 -0.50 120.40 117.09 3kvl s VAL 143 Ca 0.19 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3kvl s VAL 143 Cb 0.06 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3kvl s VAL 143 CO 0.00 -0.11 -0.21 -0.63 0.00 0.00 0.00 175.10 174.15 3kvl s ILE 144 N -1.01 2.37 0.04 2.22 1.01 -0.24 -0.70 121.20 124.89 3kvl s ILE 144 Ca -0.01 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3kvl s ILE 144 Cb -0.08 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 3kvl s ILE 144 CO 0.01 0.55 -0.11 0.54 0.00 0.00 0.00 174.94 175.93 3kvl s ASN 145 N 0.26 1.29 -0.37 3.58 2.20 -0.77 -0.27 114.94 120.86 3kvl s ASN 145 Ca -0.14 -0.47 0.13 0.00 -0.94 0.00 0.00 52.86 51.44 3kvl s ASN 145 Cb -0.17 -0.05 0.40 0.00 -2.00 0.00 0.00 41.25 39.43 3kvl s ASN 145 CO 0.07 -0.05 0.86 -2.11 -2.94 0.00 0.00 177.10 172.93 3kvl n ARG 146 N 1.79 1.42 -0.22 3.55 1.85 0.10 -1.06 116.66 124.09 3kvl n ARG 146 Ca -0.19 -3.54 -0.03 0.00 -1.00 0.00 0.00 57.85 53.08 3kvl n ARG 146 Cb 0.55 -1.62 0.07 0.00 -1.05 0.00 0.00 32.46 30.41 3kvl n ARG 146 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 3kvl h TYR 147 N 2.97 0.70 -0.97 2.89 -1.99 -1.94 -3.40 116.97 115.22 3kvl h TYR 147 Ca 0.04 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.76 3kvl h TYR 147 Cb 1.00 -0.22 0.01 0.00 2.00 0.00 0.00 36.73 39.52 3kvl h TYR 147 CO 0.53 0.38 -0.04 0.41 -0.00 0.00 0.00 178.16 179.44 3kvl n GLY 148 N -1.27 0.68 3.37 3.88 0.00 -1.26 0.15 105.19 110.73 3kvl n GLY 148 Ca 0.07 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 3kvl n GLY 148 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kvl n PHE 149 N -3.11 -2.27 -1.93 1.61 0.99 -1.26 -4.33 117.46 107.17 3kvl n PHE 149 Ca -0.01 0.91 -0.42 0.00 -0.00 0.00 0.00 57.45 57.94 3kvl n PHE 149 Cb 0.51 -4.80 -0.03 0.00 -1.00 0.00 0.00 39.48 34.16 3kvl n PHE 149 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3kvl s ASN 150 N -4.07 6.60 -0.15 4.37 4.22 -1.26 -4.38 114.94 120.28 3kvl s ASN 150 Ca 0.14 2.49 -0.12 0.00 -2.14 0.00 0.00 52.86 53.23 3kvl s ASN 150 Cb -0.02 -2.56 0.04 0.00 1.28 0.00 0.00 41.25 39.99 3kvl s ASN 150 CO 0.73 -0.88 0.38 -0.55 -2.04 0.00 0.00 177.10 174.74 3kvl s SER 151 N 2.34 -0.41 0.33 3.54 0.15 -0.56 -4.95 113.70 114.14 3kvl s SER 151 Ca 0.74 0.78 0.26 0.00 0.70 0.00 0.00 55.95 58.42 3kvl s SER 151 Cb -0.40 0.76 1.09 0.00 -1.71 0.00 0.00 66.02 65.77 3kvl s SER 151 CO 0.32 -0.14 1.78 0.45 1.20 0.00 0.00 173.24 176.84 3kvl h HIS 152 N 5.85 0.00 0.00 3.44 3.86 -1.90 -1.80 115.15 124.60 3kvl h HIS 152 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3kvl h HIS 152 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 3kvl h HIS 152 CO 0.37 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.57 3kvl n GLY 153 N -0.07 0.39 0.25 2.45 0.00 -1.26 -4.19 105.19 102.76 3kvl n GLY 153 Ca 0.02 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 3kvl n GLY 153 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kvl h LEU 154 N 0.00 0.71 -0.04 0.99 3.38 -0.53 -2.65 115.31 117.18 3kvl h LEU 154 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kvl h LEU 154 Cb 0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3kvl h LEU 154 CO 0.00 0.54 0.02 0.28 0.09 0.00 0.00 178.44 179.37 3kvl h SER 155 N 0.82 0.04 -0.22 -0.43 0.02 -1.86 0.30 113.55 112.23 3kvl h SER 155 Ca 0.22 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3kvl h SER 155 Cb -0.06 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3kvl h SER 155 CO -0.05 0.08 0.14 0.58 -1.14 0.00 0.00 176.83 176.45 3kvl h VAL 156 N -0.00 1.06 -0.50 2.27 2.07 -1.76 -2.01 116.25 117.38 3kvl h VAL 156 Ca 0.01 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 3kvl h VAL 156 Cb 0.05 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3kvl h VAL 156 CO -0.00 0.06 -0.03 0.58 0.02 0.00 0.00 177.57 178.19 3kvl h VAL 157 N 0.30 1.25 -0.21 2.57 2.07 -1.29 -1.46 116.25 119.48 3kvl h VAL 157 Ca 0.08 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.55 3kvl h VAL 157 Cb -0.03 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3kvl h VAL 157 CO -0.02 0.39 -0.06 -0.08 0.02 0.00 0.00 177.57 177.82 3kvl h GLU 158 N 0.79 -0.02 -0.18 1.57 4.81 -0.08 0.01 114.58 121.49 3kvl h GLU 158 Ca 0.14 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 3kvl h GLU 158 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3kvl h GLU 158 CO 0.03 -0.01 -0.39 0.45 -0.73 0.00 0.00 179.01 178.35 3kvl h HIS 159 N -0.02 0.47 -0.49 0.92 3.86 -1.16 -0.27 115.15 118.45 3kvl h HIS 159 Ca 0.10 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3kvl h HIS 159 Cb 0.18 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3kvl h HIS 159 CO -0.23 0.74 0.24 -0.09 0.86 0.00 0.00 177.93 179.44 3kvl h ARG 160 N 0.33 0.71 -0.09 2.45 2.43 -0.76 -2.10 114.38 117.35 3kvl h ARG 160 Ca 0.03 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 3kvl h ARG 160 Cb 0.84 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3kvl h ARG 160 CO 0.07 0.59 -0.65 -0.07 -1.51 0.00 0.00 179.97 178.40 3kvl h LEU 161 N 0.65 0.40 -1.48 3.80 3.38 -0.78 -3.05 115.31 118.22 3kvl h LEU 161 Ca 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kvl h LEU 161 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kvl h LEU 161 CO -0.02 0.94 -0.02 0.03 0.09 0.00 0.00 178.44 179.46 3kvl h ARG 162 N 0.25 0.31 0.00 1.13 3.08 -0.84 -1.60 114.38 116.71 3kvl h ARG 162 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kvl h ARG 162 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3kvl h ARG 162 CO 0.11 0.35 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 3kvl h ALA 163 N 1.69 1.00 0.00 0.04 0.00 -1.27 -2.75 119.26 117.96 3kvl h ALA 163 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kvl h ALA 163 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3kvl h ALA 163 CO 0.01 0.00 -0.32 2.89 0.00 0.00 0.00 179.25 181.83 3kvl n ARG 164 N -2.84 0.82 -0.30 0.00 1.85 -0.89 -4.90 116.66 110.41 3kvl n ARG 164 Ca -0.00 -2.16 -0.04 0.00 -1.00 0.00 0.00 57.85 54.65 3kvl n ARG 164 Cb 0.20 -1.08 0.07 0.00 -1.05 0.00 0.00 32.46 30.61 3kvl n ARG 164 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 3kvl h GLN 165 N 0.23 1.13 -0.00 2.89 4.15 -1.00 -0.95 115.11 121.57 3kvl h GLN 165 Ca -0.02 -0.12 -0.20 0.00 0.77 0.00 0.00 58.65 59.08 3kvl h GLN 165 Cb 1.20 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 3kvl h GLN 165 CO 0.01 0.82 -0.87 1.96 -1.93 0.00 0.00 178.83 178.81 3kvl h GLN 166 N 1.14 0.24 -0.84 1.69 1.08 -1.88 -1.26 115.11 115.27 3kvl h GLN 166 Ca 0.29 -0.25 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3kvl h GLN 166 Cb -0.00 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.45 3kvl h GLN 166 CO -0.05 0.97 0.55 -0.22 -0.95 0.00 0.00 178.83 179.13 3kvl h LYS 167 N 0.14 1.08 -0.41 1.46 3.64 -1.83 -2.25 116.57 118.39 3kvl h LYS 167 Ca -0.05 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 3kvl h LYS 167 Cb 1.50 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3kvl h LYS 167 CO 0.14 0.71 -0.26 0.37 -2.27 0.00 0.00 179.45 178.14 3kvl h GLN 168 N 1.11 0.85 -0.99 1.90 5.75 -1.00 -1.42 115.11 121.32 3kvl h GLN 168 Ca 0.32 -0.37 0.09 0.00 -0.15 0.00 0.00 58.65 58.54 3kvl h GLN 168 Cb -0.08 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.37 3kvl h GLN 168 CO -0.09 1.01 0.63 0.00 -2.65 0.00 0.00 178.83 177.74 3kvl h ALA 169 N 0.98 1.48 -0.19 3.38 0.00 -0.86 0.29 119.26 124.33 3kvl h ALA 169 Ca 0.09 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 3kvl h ALA 169 Cb 0.80 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3kvl h ALA 169 CO 0.07 0.32 -0.65 0.87 0.00 0.00 0.00 179.25 179.86 3kvl h LYS 170 N 1.07 0.78 -0.23 0.00 1.57 -1.12 -1.95 116.57 116.67 3kvl h LYS 170 Ca 0.46 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3kvl h LYS 170 Cb 0.33 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3kvl h LYS 170 CO -0.21 1.20 0.15 -0.07 -0.57 0.00 0.00 179.45 179.95 3kvl h LEU 171 N 0.51 0.27 -0.13 2.94 3.38 -0.53 -0.66 115.31 121.08 3kvl h LEU 171 Ca -0.03 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3kvl h LEU 171 Cb 1.27 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3kvl h LEU 171 CO 0.14 0.20 -0.06 0.74 0.09 0.00 0.00 178.44 179.55 3kvl h THR 172 N 0.31 0.79 -0.15 0.22 2.02 -0.44 0.25 112.91 115.91 3kvl h THR 172 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 3kvl h THR 172 Cb -0.03 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3kvl h THR 172 CO -0.02 0.00 0.12 -0.08 0.37 0.00 0.00 175.52 175.91 3kvl h GLU 173 N -0.05 0.00 -0.06 6.66 4.57 -1.15 0.54 114.58 125.08 3kvl h GLU 173 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3kvl h GLU 173 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3kvl h GLU 173 CO -0.17 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.41 3kvl n ASP 174 N -4.24 0.72 0.00 1.04 8.00 -0.18 -4.89 116.55 117.01 3kvl n ASP 174 Ca 0.01 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.04 3kvl n ASP 174 Cb 0.25 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3kvl n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kvl n GLY 175 N 0.98 1.01 2.54 0.44 0.00 0.18 -4.79 105.19 105.55 3kvl n GLY 175 Ca 0.17 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3kvl n GLY 175 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvl n LEU 176 N 0.00 1.64 -4.78 0.99 4.77 -0.10 -0.54 117.00 118.98 3kvl n LEU 176 Ca 0.00 -4.92 -0.31 0.00 -0.03 0.00 0.00 56.01 50.76 3kvl n LEU 176 Cb 0.06 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.11 3kvl n LEU 176 CO 0.00 1.89 0.70 -2.84 -1.33 0.00 0.00 177.39 175.81 3kvl s PRO 177 N -1.15 2.29 -0.12 3.23 0.02 -1.25 -3.28 135.00 134.74 3kvl s PRO 177 Ca 0.32 0.95 0.03 0.00 0.02 0.00 0.00 61.00 62.32 3kvl s PRO 177 Cb 0.05 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.66 3kvl s PRO 177 CO -0.14 -1.56 -0.22 -1.17 -0.33 0.00 0.00 177.00 173.58 3kvl s LEU 178 N -5.82 2.07 0.05 -5.54 2.96 -1.26 -2.33 118.68 108.80 3kvl s LEU 178 Ca 0.60 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 3kvl s LEU 178 Cb -0.16 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 3kvl s LEU 178 CO 0.56 0.11 0.03 -0.83 -1.32 0.00 0.00 176.35 174.89 3kvl s GLY 179 N 0.62 1.94 -0.11 7.98 0.00 0.13 -0.76 107.32 117.11 3kvl s GLY 179 Ca -0.12 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.60 3kvl s GLY 179 CO 0.03 -0.95 -0.16 0.14 0.00 0.00 0.00 173.10 172.15 3kvl s VAL 180 N -1.25 1.60 -0.23 1.40 1.01 -0.18 -1.35 120.40 121.40 3kvl s VAL 180 Ca 0.24 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 3kvl s VAL 180 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3kvl s VAL 180 CO 0.16 0.46 0.12 0.21 0.00 0.00 0.00 175.10 176.05 3kvl s ASN 181 N 0.96 5.82 -0.14 3.32 3.84 0.35 -0.85 114.94 128.23 3kvl s ASN 181 Ca -0.07 0.05 -0.05 0.00 0.21 0.00 0.00 52.86 53.00 3kvl s ASN 181 Cb -0.15 -2.04 -0.04 0.00 -0.55 0.00 0.00 41.25 38.47 3kvl s ASN 181 CO -0.02 0.07 0.04 -0.76 -2.79 0.00 0.00 177.10 173.65 3kvl s LEU 182 N 0.99 3.74 0.00 3.21 1.43 0.09 -0.90 118.68 127.25 3kvl s LEU 182 Ca 0.06 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3kvl s LEU 182 Cb -0.14 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3kvl s LEU 182 CO 0.04 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3kvl n GLY 183 N 2.88 4.95 3.12 -3.19 0.00 0.46 -2.59 105.19 110.83 3kvl n GLY 183 Ca -0.18 -2.15 -0.23 0.00 0.00 0.00 0.00 46.02 43.47 3kvl n GLY 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kvl s LYS 184 N -1.36 1.21 0.54 1.61 2.20 -1.26 -4.50 119.74 118.17 3kvl s LYS 184 Ca 0.00 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 54.86 3kvl s LYS 184 Cb 0.00 -1.17 -0.05 0.00 -1.51 0.00 0.00 37.83 35.10 3kvl s LYS 184 CO 0.00 0.32 1.19 -0.80 -0.36 0.00 0.00 175.35 175.70 3kvl s ASN 185 N -0.38 5.59 0.25 1.43 -0.87 -1.26 -4.94 114.94 114.77 3kvl s ASN 185 Ca 0.06 2.35 -0.04 0.00 -1.57 0.00 0.00 52.86 53.66 3kvl s ASN 185 Cb -0.06 -2.60 0.36 0.00 -0.02 0.00 0.00 41.25 38.94 3kvl s ASN 185 CO -0.00 -1.32 1.87 0.50 -2.57 0.00 0.00 177.10 175.58 3kvl h LYS 186 N 1.33 1.06 -0.65 -0.60 3.64 -1.95 -2.92 116.57 116.48 3kvl h LYS 186 Ca -0.50 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3kvl h LYS 186 Cb 1.28 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3kvl h LYS 186 CO 0.57 0.70 0.00 0.25 -2.27 0.00 0.00 179.45 178.70 3kvl n THR 187 N -4.55 1.57 -2.23 1.00 -2.24 -1.26 -4.97 114.28 101.59 3kvl n THR 187 Ca 0.14 -1.15 -0.41 0.00 -2.27 0.00 0.00 64.05 60.36 3kvl n THR 187 Cb 0.17 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3kvl n THR 187 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kvl s SER 188 N -0.97 6.93 -0.02 3.42 1.04 -1.10 -4.93 113.70 118.07 3kvl s SER 188 Ca 0.49 2.53 0.20 0.00 0.48 0.00 0.00 55.95 59.65 3kvl s SER 188 Cb 0.30 -2.64 0.61 0.00 0.10 0.00 0.00 66.02 64.39 3kvl s SER 188 CO 0.27 -0.42 1.51 1.33 0.98 0.00 0.00 173.24 176.91 3kvl n VAL 189 N 1.16 1.18 -3.25 5.02 0.24 -1.26 -4.73 118.33 116.69 3kvl n VAL 189 Ca 0.01 -1.05 -0.04 0.00 -2.04 0.00 0.00 64.34 61.21 3kvl n VAL 189 Cb 0.43 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 3kvl n VAL 189 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kvl s ASP 190 N -1.00 -0.58 0.16 -1.34 -1.08 -1.26 -5.04 116.67 106.53 3kvl s ASP 190 Ca 0.45 -0.67 -0.14 0.00 -0.52 0.00 0.00 52.55 51.67 3kvl s ASP 190 Cb 0.25 1.50 0.05 0.00 -1.46 0.00 0.00 42.92 43.26 3kvl s ASP 190 CO 0.29 -0.25 1.78 0.00 0.52 0.00 0.00 175.17 177.50 3kvl h ALA 191 N 7.46 0.66 -0.42 3.66 0.00 -1.98 -2.30 119.26 126.34 3kvl h ALA 191 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kvl h ALA 191 Cb 1.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3kvl h ALA 191 CO 0.17 0.17 0.22 0.00 0.00 0.00 0.00 179.25 179.80 3kvl h ALA 192 N 1.13 1.59 -0.24 0.00 0.00 -1.96 -1.77 119.26 118.01 3kvl h ALA 192 Ca 0.18 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3kvl h ALA 192 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kvl h ALA 192 CO -0.03 0.34 -0.42 1.49 0.00 0.00 0.00 179.25 180.62 3kvl h GLU 193 N 0.58 0.58 -0.22 0.00 4.57 -1.85 -0.58 114.58 117.66 3kvl h GLU 193 Ca 0.15 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3kvl h GLU 193 Cb 0.04 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3kvl h GLU 193 CO -0.02 0.90 0.11 -0.44 -1.18 0.00 0.00 179.01 178.38 3kvl h ASP 194 N 0.47 0.18 -0.46 1.04 5.19 -0.96 -0.53 116.42 121.36 3kvl h ASP 194 Ca 0.04 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.35 3kvl h ASP 194 Cb 0.93 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 3kvl h ASP 194 CO 0.08 0.13 -0.09 1.88 -3.12 0.00 0.00 179.24 178.13 3kvl h TYR 195 N 0.24 1.01 -0.62 4.55 -1.99 -1.29 -2.12 116.97 116.75 3kvl h TYR 195 Ca 0.09 -0.19 0.03 0.00 2.00 0.00 0.00 58.73 60.66 3kvl h TYR 195 Cb 0.01 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 38.45 3kvl h TYR 195 CO -0.09 0.95 0.38 0.00 -0.00 0.00 0.00 178.16 179.40 3kvl h ALA 196 N 1.07 0.81 -0.69 3.88 0.00 -0.86 -0.65 119.26 122.81 3kvl h ALA 196 Ca 0.14 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kvl h ALA 196 Cb 0.61 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3kvl h ALA 196 CO 0.04 0.11 0.42 0.93 0.00 0.00 0.00 179.25 180.75 3kvl h GLU 197 N 0.74 0.78 -0.68 0.00 5.08 -0.81 -1.48 114.58 118.20 3kvl h GLU 197 Ca 0.25 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3kvl h GLU 197 Cb 0.04 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3kvl h GLU 197 CO -0.11 0.52 0.24 0.78 -1.00 0.00 0.00 179.01 179.43 3kvl h GLY 198 N 0.80 1.09 0.96 -3.84 0.00 -0.67 -0.98 103.07 100.43 3kvl h GLY 198 Ca 0.29 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3kvl h GLY 198 CO -0.13 0.57 0.20 -2.08 0.00 0.00 0.00 176.54 175.10 3kvl h VAL 199 N 0.99 1.20 -0.47 4.60 2.07 -0.65 -0.78 116.25 123.21 3kvl h VAL 199 Ca 0.22 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 3kvl h VAL 199 Cb 0.24 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3kvl h VAL 199 CO -0.01 0.22 -0.14 0.03 0.02 0.00 0.00 177.57 177.69 3kvl h ARG 200 N 0.59 0.88 0.07 1.57 3.08 -0.89 -0.76 114.38 118.93 3kvl h ARG 200 Ca 0.15 -0.32 -0.23 0.00 0.07 0.00 0.00 59.98 59.65 3kvl h ARG 200 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3kvl h ARG 200 CO -0.02 0.96 -1.21 0.28 -1.07 0.00 0.00 179.97 178.91 3kvl h VAL 201 N 0.78 1.09 0.00 2.04 2.07 -1.13 -3.41 116.25 117.69 3kvl h VAL 201 Ca 0.12 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3kvl h VAL 201 Cb 0.66 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3kvl h VAL 201 CO 0.05 0.61 -1.20 0.18 0.02 0.00 0.00 177.57 177.23 3kvl n LEU 202 N -4.12 0.39 -0.26 2.57 4.77 -0.31 -4.48 117.00 115.58 3kvl n LEU 202 Ca -0.25 -0.27 0.05 0.00 -0.03 0.00 0.00 56.01 55.51 3kvl n LEU 202 Cb 0.80 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 42.07 3kvl n LEU 202 CO 0.35 0.10 1.03 1.23 -1.33 0.00 0.00 177.39 178.77 3kvl h GLY 203 N 3.32 1.15 2.00 -0.72 0.00 -1.04 -0.73 103.07 107.05 3kvl h GLY 203 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kvl h GLY 203 CO 0.00 -0.07 0.00 -2.55 0.00 0.00 0.00 176.54 173.92 3kvl h PRO 204 N 0.48 0.00 -0.12 4.80 0.11 -1.73 -2.48 132.00 133.06 3kvl h PRO 204 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3kvl h PRO 204 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3kvl h PRO 204 CO -0.38 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.69 3kvl n LEU 205 N -2.34 2.46 -4.41 2.35 4.77 -0.30 -4.80 117.00 114.73 3kvl n LEU 205 Ca -0.01 -1.22 -0.31 0.00 -0.03 0.00 0.00 56.01 54.45 3kvl n LEU 205 Cb 0.10 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 3kvl n LEU 205 CO 0.14 0.49 -0.52 0.00 -1.33 0.00 0.00 177.39 176.17 3kvl s ALA 206 N -1.19 2.45 0.09 -1.18 0.00 -0.93 -5.00 121.76 115.99 3kvl s ALA 206 Ca 0.20 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 3kvl s ALA 206 Cb 0.13 -0.65 -0.22 0.00 0.00 0.00 0.00 23.12 22.39 3kvl s ALA 206 CO 0.19 0.55 1.19 -0.44 0.00 0.00 0.00 175.76 177.25 3kvl h ASP 207 N 4.75 0.71 -5.05 0.00 3.32 -1.25 -3.38 116.42 115.51 3kvl h ASP 207 Ca -0.47 -0.62 -0.15 0.00 0.02 0.00 0.00 57.03 55.80 3kvl h ASP 207 Cb 1.15 -0.22 -0.19 0.00 0.22 0.00 0.00 39.33 40.28 3kvl h ASP 207 CO 0.46 1.44 -0.68 -0.72 -1.72 0.00 0.00 179.24 178.03 3kvl s TYR 208 N -3.07 0.31 0.09 4.55 1.13 -1.12 -2.16 117.35 117.07 3kvl s TYR 208 Ca -0.07 -0.65 0.05 0.00 -1.41 0.00 0.00 57.07 54.99 3kvl s TYR 208 Cb 0.07 -0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.66 3kvl s TYR 208 CO 0.90 -0.25 -0.03 -0.51 -2.51 0.00 0.00 175.55 173.15 3kvl s LEU 209 N -1.86 3.33 -0.16 -3.49 1.43 0.82 -1.01 118.68 117.73 3kvl s LEU 209 Ca -0.10 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3kvl s LEU 209 Cb -0.05 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3kvl s LEU 209 CO -0.03 0.19 -0.19 -0.69 0.23 0.00 0.00 176.35 175.85 3kvl s VAL 210 N -1.26 2.20 -0.64 -1.59 1.01 -0.03 -0.78 120.40 119.32 3kvl s VAL 210 Ca 0.24 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 3kvl s VAL 210 Cb -0.11 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.41 3kvl s VAL 210 CO 0.16 0.53 0.98 -0.69 0.00 0.00 0.00 175.10 176.09 3kvl s VAL 211 N 1.05 4.29 -0.67 2.92 1.01 0.38 -0.73 120.40 128.65 3kvl s VAL 211 Ca -0.01 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 3kvl s VAL 211 Cb -0.14 -4.66 0.06 0.00 0.00 0.00 0.00 36.38 31.63 3kvl s VAL 211 CO -0.06 -1.40 1.04 0.21 0.00 0.00 0.00 175.10 174.89 3kvl s ASN 212 N 3.45 6.18 -0.25 3.32 2.47 -1.07 -1.98 114.94 127.07 3kvl s ASN 212 Ca 0.25 -0.82 0.12 0.00 0.42 0.00 0.00 52.86 52.84 3kvl s ASN 212 Cb -0.15 -2.45 0.51 0.00 -1.45 0.00 0.00 41.25 37.71 3kvl s ASN 212 CO 0.13 -1.53 1.45 1.33 -3.72 0.00 0.00 177.10 174.77 3kvl n VAL 213 N 6.05 2.45 -0.53 -5.21 0.24 -1.22 -4.67 118.33 115.45 3kvl n VAL 213 Ca -0.02 -2.38 0.00 0.00 -2.04 0.00 0.00 64.34 59.91 3kvl n VAL 213 Cb 0.46 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 3kvl n VAL 213 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3kvl n SER 214 N -0.91 1.03 -4.71 -1.34 3.41 -1.24 -3.87 113.62 105.99 3kvl n SER 214 Ca 0.29 -1.55 -0.42 0.00 -0.26 0.00 0.00 58.87 56.93 3kvl n SER 214 Cb 0.99 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 3kvl n SER 214 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kvl s SER 215 N -0.57 6.59 0.00 4.04 0.15 -1.26 -4.69 113.70 117.96 3kvl s SER 215 Ca 0.01 2.59 0.28 0.00 0.70 0.00 0.00 55.95 59.53 3kvl s SER 215 Cb 0.01 -2.59 1.69 0.00 -1.71 0.00 0.00 66.02 63.42 3kvl s SER 215 CO 0.00 -0.83 2.06 -0.81 1.20 0.00 0.00 173.24 174.86 3kvl n PRO 216 N 4.24 0.95 -0.11 5.44 -0.04 -1.26 -4.05 135.00 140.17 3kvl n PRO 216 Ca 0.14 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.64 3kvl n PRO 216 Cb 0.39 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 3kvl n PRO 216 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kvl n ASN 217 N -0.96 2.55 -3.99 3.54 3.02 -1.26 -4.87 115.26 113.29 3kvl n ASN 217 Ca 0.21 -2.12 -0.29 0.00 -0.03 0.00 0.00 54.58 52.35 3kvl n ASN 217 Cb 0.10 -0.16 -0.17 0.00 -0.61 0.00 0.00 39.78 38.94 3kvl n ASN 217 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kvl s THR 218 N -1.21 1.40 0.13 3.41 2.01 -1.26 -4.47 115.64 115.65 3kvl s THR 218 Ca 0.15 -0.53 -0.33 0.00 0.31 0.00 0.00 61.69 61.29 3kvl s THR 218 Cb 0.09 -1.33 -0.12 0.00 0.01 0.00 0.00 72.50 71.15 3kvl s THR 218 CO 0.08 0.43 1.74 0.00 -0.69 0.00 0.00 174.62 176.18 3kvl n ALA 219 N 4.75 1.97 0.00 7.40 0.00 -1.26 -1.92 120.51 131.46 3kvl n ALA 219 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3kvl n ALA 219 Cb 0.50 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3kvl n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvl n GLY 220 N 3.95 2.15 0.28 0.00 0.00 -1.26 -4.91 105.19 105.40 3kvl n GLY 220 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 3kvl n GLY 220 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kvl h LEU 221 N 0.00 0.89 -1.21 0.99 5.85 -1.69 -2.80 115.31 117.34 3kvl h LEU 221 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3kvl h LEU 221 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 3kvl h LEU 221 CO 0.00 0.81 0.00 0.03 -0.34 0.00 0.00 178.44 178.94 3kvl h ARG 222 N 0.92 0.00 0.00 1.25 3.08 -1.78 -1.44 114.38 116.41 3kvl h ARG 222 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3kvl h ARG 222 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3kvl h ARG 222 CO -0.02 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.54 3kvl h SER 223 N 0.00 0.00 0.39 7.04 4.64 -1.78 -1.77 113.55 122.08 3kvl h SER 223 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kvl h SER 223 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3kvl h SER 223 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3kvl n LEU 224 N -2.48 0.00 0.09 5.97 4.77 -0.54 -1.59 117.00 123.22 3kvl n LEU 224 Ca 0.01 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.55 3kvl n LEU 224 Cb 0.24 -0.43 0.43 0.00 -2.33 0.00 0.00 43.42 41.33 3kvl n LEU 224 CO 0.21 -0.23 0.90 0.00 -1.33 0.00 0.00 177.39 176.94 3kvl n GLN 225 N -1.43 0.23 -1.85 3.23 6.02 -0.66 -3.08 117.38 119.84 3kvl n GLN 225 Ca 0.04 0.19 -0.37 0.00 -0.01 0.00 0.00 57.00 56.86 3kvl n GLN 225 Cb 0.14 -1.77 0.05 0.00 1.02 0.00 0.00 30.24 29.68 3kvl n GLN 225 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3kvl s GLY 226 N -3.51 2.83 0.13 1.08 0.00 -0.62 -4.72 107.32 102.50 3kvl s GLY 226 Ca 0.11 1.16 -0.26 0.00 0.00 0.00 0.00 44.72 45.74 3kvl s GLY 226 CO 0.58 1.59 1.63 1.70 0.00 0.00 0.00 173.10 178.61 3kvl h LYS 227 N 0.83 -0.38 -0.46 2.90 3.64 -1.89 0.26 116.57 121.47 3kvl h LYS 227 Ca -0.51 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 3kvl h LYS 227 Cb 1.32 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 3kvl h LYS 227 CO 0.55 -0.25 -0.01 0.00 -2.27 0.00 0.00 179.45 177.46 3kvl h ALA 228 N 0.44 0.62 -0.39 5.00 0.00 -1.95 -0.68 119.26 122.29 3kvl h ALA 228 Ca 0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3kvl h ALA 228 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kvl h ALA 228 CO -0.25 0.43 -0.32 1.49 0.00 0.00 0.00 179.25 180.59 3kvl h GLU 229 N 0.66 0.87 -0.46 0.00 4.81 -1.80 -2.56 114.58 116.10 3kvl h GLU 229 Ca 0.13 -0.42 -0.13 0.00 -0.13 0.00 0.00 59.36 58.81 3kvl h GLU 229 Cb 0.52 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3kvl h GLU 229 CO 0.03 1.06 -0.21 1.25 -0.73 0.00 0.00 179.01 180.40 3kvl h LEU 230 N 0.73 0.99 -0.44 1.64 5.85 -0.31 -1.11 115.31 122.66 3kvl h LEU 230 Ca 0.08 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 3kvl h LEU 230 Cb 0.89 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3kvl h LEU 230 CO 0.08 1.17 0.10 -0.09 -0.34 0.00 0.00 178.44 179.36 3kvl h ARG 231 N 0.80 0.70 -0.20 1.25 2.43 -1.05 0.65 114.38 118.97 3kvl h ARG 231 Ca 0.10 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3kvl h ARG 231 Cb 0.79 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3kvl h ARG 231 CO 0.07 0.71 0.08 -0.09 -1.51 0.00 0.00 179.97 179.23 3kvl h ARG 232 N 0.58 0.30 -0.06 0.20 2.43 -1.40 -0.87 114.38 115.56 3kvl h ARG 232 Ca 0.14 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3kvl h ARG 232 Cb 0.33 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3kvl h ARG 232 CO 0.00 0.36 0.04 1.25 -1.51 0.00 0.00 179.97 180.11 3kvl h LEU 233 N 0.17 0.07 -0.73 3.80 5.85 -1.04 -2.78 115.31 120.66 3kvl h LEU 233 Ca 0.07 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3kvl h LEU 233 Cb 0.17 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3kvl h LEU 233 CO -0.01 0.10 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.51 3kvl h LEU 234 N 0.04 0.00 -0.60 2.25 3.38 -0.84 -1.17 115.31 118.37 3kvl h LEU 234 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kvl h LEU 234 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3kvl h LEU 234 CO -0.00 0.61 0.32 0.74 0.09 0.00 0.00 178.44 180.20 3kvl h THR 235 N 0.00 1.20 -0.29 0.22 2.02 -1.10 0.25 112.91 115.21 3kvl h THR 235 Ca -0.01 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 3kvl h THR 235 Cb 1.12 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3kvl h THR 235 CO 0.08 0.22 -0.07 0.50 0.37 0.00 0.00 175.52 176.61 3kvl h LYS 236 N 0.82 0.56 -0.38 6.66 3.64 -1.20 -1.85 116.57 124.82 3kvl h LYS 236 Ca 0.21 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3kvl h LYS 236 Cb 0.06 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3kvl h LYS 236 CO -0.03 0.76 0.20 0.28 -2.27 0.00 0.00 179.45 178.38 3kvl h VAL 237 N 0.31 0.99 -0.25 2.00 2.07 -1.08 -1.82 116.25 118.47 3kvl h VAL 237 Ca 0.07 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3kvl h VAL 237 Cb 0.56 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3kvl h VAL 237 CO 0.03 0.07 -0.25 -0.07 0.02 0.00 0.00 177.57 177.38 3kvl h LEU 238 N 0.40 0.48 -0.46 2.57 3.38 -0.91 -0.78 115.31 119.99 3kvl h LEU 238 Ca 0.16 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3kvl h LEU 238 Cb 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kvl h LEU 238 CO -0.10 0.72 0.02 -0.61 0.09 0.00 0.00 178.44 178.56 3kvl h GLN 239 N 0.42 0.81 -0.77 1.13 4.15 -1.06 0.22 115.11 120.02 3kvl h GLN 239 Ca 0.06 -0.25 -0.05 0.00 0.77 0.00 0.00 58.65 59.18 3kvl h GLN 239 Cb 0.66 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 3kvl h GLN 239 CO 0.05 0.86 0.29 0.93 -1.93 0.00 0.00 178.83 179.02 3kvl h GLU 240 N 0.66 1.16 -0.43 1.69 4.39 -1.06 -2.16 114.58 118.83 3kvl h GLU 240 Ca 0.13 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3kvl h GLU 240 Cb 0.48 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3kvl h GLU 240 CO 0.02 0.95 0.17 -0.09 -1.16 0.00 0.00 179.01 178.90 3kvl h ARG 241 N 1.12 0.65 0.00 2.33 1.12 -0.91 -2.63 114.38 116.06 3kvl h ARG 241 Ca 0.25 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 58.99 3kvl h ARG 241 Cb 0.24 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.10 3kvl h ARG 241 CO -0.02 0.61 -0.06 -0.44 -3.11 0.00 0.00 179.97 176.94 3kvl h ASP 242 N 0.55 0.00 0.36 -3.80 3.32 -0.69 -1.98 116.42 114.19 3kvl h ASP 242 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kvl h ASP 242 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3kvl h ASP 242 CO -0.01 0.06 -0.02 0.61 -1.72 0.00 0.00 179.24 178.16 3kvl n GLY 243 N -0.46 -1.12 3.82 2.75 0.00 -0.83 -4.83 105.19 104.51 3kvl n GLY 243 Ca -0.01 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3kvl n GLY 243 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvl s LEU 244 N -2.38 4.16 0.52 0.99 1.43 -0.74 -5.03 118.68 117.62 3kvl s LEU 244 Ca 0.34 1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 54.75 3kvl s LEU 244 Cb 0.21 -4.05 -0.07 0.00 0.03 0.00 0.00 46.19 42.31 3kvl s LEU 244 CO 0.44 -0.15 1.16 0.54 0.23 0.00 0.00 176.35 178.56 3kvl n ARG 245 N 0.03 1.42 -0.22 1.70 1.74 -1.26 -4.71 116.66 115.36 3kvl n ARG 245 Ca 0.03 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3kvl n ARG 245 Cb 0.52 -2.32 0.12 0.00 -1.02 0.00 0.00 32.46 29.76 3kvl n ARG 245 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3kvl h ARG 246 N 1.27 0.47 0.00 5.56 -0.00 -1.95 0.20 114.38 119.92 3kvl h ARG 246 Ca -0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.47 3kvl h ARG 246 Cb 1.33 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 3kvl h ARG 246 CO 0.56 0.31 0.00 1.33 -0.00 0.00 0.00 179.97 182.17 3kvl n VAL 247 N -4.94 0.84 -1.19 0.08 0.24 -1.26 -2.31 118.33 109.79 3kvl n VAL 247 Ca 0.09 0.19 0.03 0.00 -2.04 0.00 0.00 64.34 62.62 3kvl n VAL 247 Cb 0.27 -1.01 0.22 0.00 -1.47 0.00 0.00 33.84 31.85 3kvl n VAL 247 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3kvl n HIS 248 N -1.86 0.92 -3.55 6.34 8.25 0.66 -4.97 115.22 121.02 3kvl n HIS 248 Ca 0.03 -1.18 -0.41 0.00 -0.26 0.00 0.00 57.72 55.90 3kvl n HIS 248 Cb 0.22 -0.37 -0.10 0.00 1.12 0.00 0.00 29.99 30.86 3kvl n HIS 248 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3kvl s ARG 249 N -3.01 2.79 0.48 -0.41 3.52 -0.98 -3.81 118.95 117.53 3kvl s ARG 249 Ca 0.42 -1.24 -0.16 0.00 -0.13 0.00 0.00 55.73 54.62 3kvl s ARG 249 Cb 0.36 -3.83 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 3kvl s ARG 249 CO 0.05 -0.84 0.93 -1.25 -0.81 0.00 0.00 175.30 173.38 3kvl s PRO 250 N 1.54 3.96 0.63 5.12 0.04 -1.26 -5.03 135.00 140.00 3kvl s PRO 250 Ca 0.03 0.88 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 3kvl s PRO 250 Cb -0.21 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3kvl s PRO 250 CO 0.05 -0.18 1.20 0.00 0.04 0.00 0.00 177.00 178.12 3kvl s ALA 251 N -2.49 2.43 -0.15 8.56 0.00 -0.92 -4.82 121.76 124.37 3kvl s ALA 251 Ca 0.58 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.49 3kvl s ALA 251 Cb -0.10 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.59 3kvl s ALA 251 CO 0.28 -1.35 -0.21 0.08 0.00 0.00 0.00 175.76 174.56 3kvl s VAL 252 N -1.76 2.09 0.23 0.00 1.01 -1.26 -0.13 120.40 120.59 3kvl s VAL 252 Ca 0.76 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.88 3kvl s VAL 252 Cb -0.29 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3kvl s VAL 252 CO 0.37 0.55 -0.17 -0.76 0.00 0.00 0.00 175.10 175.09 3kvl s LEU 253 N 0.87 2.69 -0.13 3.92 1.02 0.04 -1.54 118.68 125.56 3kvl s LEU 253 Ca -0.05 -0.85 0.00 0.00 0.02 0.00 0.00 54.13 53.25 3kvl s LEU 253 Cb -0.15 -1.30 -0.01 0.00 0.02 0.00 0.00 46.19 44.74 3kvl s LEU 253 CO -0.03 0.07 -0.14 -0.69 0.02 0.00 0.00 176.35 175.58 3kvl s VAL 254 N -2.08 2.94 -0.22 -1.59 1.01 -0.78 -0.47 120.40 119.20 3kvl s VAL 254 Ca 0.26 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 3kvl s VAL 254 Cb -0.07 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3kvl s VAL 254 CO 0.14 0.53 0.22 -0.75 0.00 0.00 0.00 175.10 175.24 3kvl s LYS 255 N 0.34 4.11 0.31 2.72 2.20 -0.84 -0.74 119.74 127.84 3kvl s LYS 255 Ca -0.12 -0.14 0.10 0.00 -0.36 0.00 0.00 55.97 55.45 3kvl s LYS 255 Cb -0.16 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 3kvl s LYS 255 CO 0.06 0.06 -0.06 0.96 -0.36 0.00 0.00 175.35 176.01 3kvl s ILE 256 N 1.04 2.73 0.62 5.43 -4.36 -0.41 -3.40 121.20 122.85 3kvl s ILE 256 Ca 0.11 -2.11 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 3kvl s ILE 256 Cb -0.14 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 3kvl s ILE 256 CO 0.05 -0.30 1.03 0.00 0.24 0.00 0.00 174.94 175.96 3kvl s ALA 257 N -2.48 3.09 -1.84 2.27 0.00 -1.26 -1.17 121.76 120.37 3kvl s ALA 257 Ca 0.32 -0.12 0.30 0.00 0.00 0.00 0.00 51.96 52.46 3kvl s ALA 257 Cb -0.03 -3.06 1.52 0.00 0.00 0.00 0.00 23.12 21.55 3kvl s ALA 257 CO 0.18 -0.72 2.02 -0.35 0.00 0.00 0.00 175.76 176.89 3kvl n PRO 258 N -2.76 0.87 -0.62 0.00 -0.04 -1.26 -4.26 135.00 126.93 3kvl n PRO 258 Ca 0.06 -0.19 0.03 0.00 -0.04 0.00 0.00 63.50 63.36 3kvl n PRO 258 Cb 0.54 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.76 3kvl n PRO 258 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kvl n ASP 259 N -0.90 3.66 -4.79 3.54 8.00 -1.26 -4.95 116.55 119.85 3kvl n ASP 259 Ca 0.18 -3.24 -0.36 0.00 0.71 0.00 0.00 54.79 52.09 3kvl n ASP 259 Cb 0.22 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.66 3kvl n ASP 259 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kvl s LEU 260 N -2.96 4.17 0.81 0.64 1.43 -1.26 -5.05 118.68 116.45 3kvl s LEU 260 Ca 0.45 1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 3kvl s LEU 260 Cb 0.37 -4.23 0.08 0.00 0.03 0.00 0.00 46.19 42.44 3kvl s LEU 260 CO 0.07 -0.24 1.09 0.42 0.23 0.00 0.00 176.35 177.92 3kvl s THR 261 N -1.82 3.09 0.27 5.49 -4.23 -1.26 -4.87 115.64 112.31 3kvl s THR 261 Ca 0.56 0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 61.41 3kvl s THR 261 Cb -0.16 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.95 3kvl s THR 261 CO 0.21 -0.46 1.84 0.28 -0.54 0.00 0.00 174.62 175.95 3kvl h SER 262 N -1.18 0.92 -0.66 3.99 0.02 -2.00 -1.69 113.55 112.95 3kvl h SER 262 Ca -0.47 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.49 3kvl h SER 262 Cb 1.26 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 3kvl h SER 262 CO 0.57 0.52 0.29 -0.61 -1.14 0.00 0.00 176.83 176.46 3kvl h GLN 263 N 1.01 0.97 -0.45 3.45 5.75 -1.99 -1.53 115.11 122.32 3kvl h GLN 263 Ca 0.47 -0.16 0.04 0.00 -0.15 0.00 0.00 58.65 58.84 3kvl h GLN 263 Cb 0.39 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 3kvl h GLN 263 CO -0.24 0.79 0.22 -0.44 -2.65 0.00 0.00 178.83 176.52 3kvl h ASP 264 N 0.92 0.32 -0.47 -0.69 3.32 -1.70 -1.25 116.42 116.88 3kvl h ASP 264 Ca 0.22 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 3kvl h ASP 264 Cb 0.17 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3kvl h ASP 264 CO -0.02 0.23 -0.21 0.11 -1.72 0.00 0.00 179.24 177.63 3kvl h LYS 265 N 0.45 0.97 -0.81 3.56 1.57 -1.07 -1.29 116.57 119.94 3kvl h LYS 265 Ca 0.19 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3kvl h LYS 265 Cb 0.10 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3kvl h LYS 265 CO -0.14 1.08 0.52 0.93 -0.57 0.00 0.00 179.45 181.27 3kvl h GLU 266 N 0.81 1.08 -0.39 3.15 5.08 -1.06 -1.32 114.58 121.94 3kvl h GLU 266 Ca 0.11 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3kvl h GLU 266 Cb 0.78 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3kvl h GLU 266 CO 0.07 0.73 -0.25 -0.44 -1.00 0.00 0.00 179.01 178.12 3kvl h ASP 267 N 1.10 0.89 -0.43 1.42 3.32 -0.97 -1.57 116.42 120.18 3kvl h ASP 267 Ca 0.29 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3kvl h ASP 267 Cb -0.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3kvl h ASP 267 CO -0.06 1.13 0.21 0.40 -1.72 0.00 0.00 179.24 179.19 3kvl h ILE 268 N 0.67 1.18 -0.62 0.35 2.04 -1.08 -0.88 117.51 119.16 3kvl h ILE 268 Ca 0.08 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.45 3kvl h ILE 268 Cb 0.82 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3kvl h ILE 268 CO 0.07 0.19 0.40 0.00 0.00 0.00 0.00 178.15 178.81 3kvl h ALA 269 N 1.05 0.80 -0.37 1.87 0.00 -1.15 -0.05 119.26 121.41 3kvl h ALA 269 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kvl h ALA 269 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kvl h ALA 269 CO -0.02 0.18 0.24 1.03 0.00 0.00 0.00 179.25 180.68 3kvl h SER 270 N 0.80 0.41 -0.42 0.00 0.87 -0.96 -2.08 113.55 112.17 3kvl h SER 270 Ca 0.24 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.68 3kvl h SER 270 Cb -0.05 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3kvl h SER 270 CO -0.07 0.29 -0.15 0.58 -0.53 0.00 0.00 176.83 176.95 3kvl h VAL 271 N 0.49 1.28 -0.94 2.23 2.07 -0.82 -0.39 116.25 120.17 3kvl h VAL 271 Ca 0.14 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.44 3kvl h VAL 271 Cb -0.04 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 3kvl h VAL 271 CO -0.04 0.43 0.60 0.58 0.02 0.00 0.00 177.57 179.16 3kvl h VAL 272 N 0.67 1.11 0.00 2.57 2.07 -0.90 -0.68 116.25 121.10 3kvl h VAL 272 Ca 0.10 -0.39 -0.23 0.00 0.82 0.00 0.00 66.70 67.01 3kvl h VAL 272 Cb 0.70 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3kvl h VAL 272 CO 0.05 0.20 -0.95 0.11 0.02 0.00 0.00 177.57 177.00 3kvl h LYS 273 N 1.12 0.42 -0.71 1.57 1.57 -1.19 -1.23 116.57 118.12 3kvl h LYS 273 Ca 0.39 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3kvl h LYS 273 Cb 0.10 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3kvl h LYS 273 CO -0.15 1.12 0.34 1.49 -0.57 0.00 0.00 179.45 181.68 3kvl h GLU 274 N 0.23 1.01 0.00 3.15 4.81 -0.63 -3.25 114.58 119.91 3kvl h GLU 274 Ca -0.08 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3kvl h GLU 274 Cb 1.59 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.79 3kvl h GLU 274 CO 0.17 0.79 -1.14 1.28 -0.73 0.00 0.00 179.01 179.38 3kvl n LEU 275 N -4.44 0.64 -0.13 1.64 4.77 -0.30 -4.97 117.00 114.21 3kvl n LEU 275 Ca 0.06 -0.18 -0.01 0.00 -0.03 0.00 0.00 56.01 55.84 3kvl n LEU 275 Cb 0.13 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kvl n LEU 275 CO 0.39 0.11 -0.01 0.61 -1.33 0.00 0.00 177.39 177.16 3kvl n GLY 276 N 1.41 0.33 3.66 -0.72 0.00 -0.53 -5.00 105.19 104.34 3kvl n GLY 276 Ca 0.02 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 3kvl n GLY 276 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kvl n ILE 277 N -3.94 1.61 0.17 -0.61 2.08 -0.79 -4.89 119.36 112.99 3kvl n ILE 277 Ca -0.01 -0.40 0.06 0.00 0.56 0.00 0.00 62.75 62.95 3kvl n ILE 277 Cb 0.48 -1.41 0.18 0.00 -0.75 0.00 0.00 39.64 38.14 3kvl n ILE 277 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3kvl h ASP 278 N 3.03 0.00 -5.87 4.38 3.32 -1.62 -3.47 116.42 116.18 3kvl h ASP 278 Ca -0.44 0.00 0.36 0.00 0.02 0.00 0.00 57.03 56.97 3kvl h ASP 278 Cb 1.29 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.74 3kvl h ASP 278 CO 0.67 0.37 0.92 -0.83 -1.72 0.00 0.00 179.24 178.65 3kvl s GLY 279 N -4.38 -0.33 0.06 2.75 0.00 -1.17 -4.00 107.32 100.24 3kvl s GLY 279 Ca 0.03 0.50 0.07 0.00 0.00 0.00 0.00 44.72 45.32 3kvl s GLY 279 CO 0.71 2.60 -0.19 1.08 0.00 0.00 0.00 173.10 177.29 3kvl s LEU 280 N -3.35 2.20 -0.16 0.66 1.43 -0.31 -1.87 118.68 117.27 3kvl s LEU 280 Ca 0.21 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3kvl s LEU 280 Cb 0.03 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.37 3kvl s LEU 280 CO -0.04 0.10 -0.08 -0.63 0.23 0.00 0.00 176.35 175.94 3kvl s ILE 281 N -0.91 3.37 -0.23 -0.59 1.01 0.08 -0.62 121.20 123.31 3kvl s ILE 281 Ca 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 3kvl s ILE 281 Cb -0.09 -2.47 0.09 0.00 0.01 0.00 0.00 42.46 40.00 3kvl s ILE 281 CO 0.02 0.49 0.16 -0.69 0.00 0.00 0.00 174.94 174.92 3kvl s VAL 282 N 0.67 -0.18 0.26 2.92 1.01 -0.25 -1.29 120.40 123.54 3kvl s VAL 282 Ca -0.04 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3kvl s VAL 282 Cb -0.15 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3kvl s VAL 282 CO 0.02 -0.42 0.14 0.42 0.00 0.00 0.00 175.10 175.26 3kvl s THR 283 N 2.20 0.24 0.16 3.92 -4.23 0.06 -0.08 115.64 117.91 3kvl s THR 283 Ca 0.06 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 3kvl s THR 283 Cb -0.16 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.18 3kvl s THR 283 CO -0.21 0.00 0.17 -3.20 -0.54 0.00 0.00 174.62 170.84 3kvl n ASN 284 N -0.64 -0.63 -4.79 3.99 2.85 -0.32 -4.52 115.26 111.21 3kvl n ASN 284 Ca 0.02 -0.81 -0.30 0.00 -0.11 0.00 0.00 54.58 53.38 3kvl n ASN 284 Cb 0.65 -0.14 0.09 0.00 1.24 0.00 0.00 39.78 41.62 3kvl n ASN 284 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3kvl s THR 285 N -1.34 3.28 -0.08 -0.44 -4.23 -1.26 -4.36 115.64 107.20 3kvl s THR 285 Ca 0.10 0.42 -0.03 0.00 -1.18 0.00 0.00 61.69 61.00 3kvl s THR 285 Cb -0.01 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 3kvl s THR 285 CO 0.08 -0.54 0.06 0.28 -0.54 0.00 0.00 174.62 173.95 3kvl s THR 286 N -3.05 4.76 -1.79 3.99 -1.32 -0.76 -4.44 115.64 113.04 3kvl s THR 286 Ca 0.61 -0.13 0.28 0.00 -1.21 0.00 0.00 61.69 61.23 3kvl s THR 286 Cb -0.15 -3.06 0.41 0.00 -1.51 0.00 0.00 72.50 68.19 3kvl s THR 286 CO 0.55 0.57 1.75 1.33 -2.21 0.00 0.00 174.62 176.60 3kvl n VAL 287 N 1.92 0.00 -1.63 5.08 0.24 -1.26 -0.25 118.33 122.42 3kvl n VAL 287 Ca -0.18 -0.10 -0.31 0.00 -2.04 0.00 0.00 64.34 61.71 3kvl n VAL 287 Cb 0.54 0.15 0.05 0.00 -1.47 0.00 0.00 33.84 33.10 3kvl n VAL 287 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kvl s SER 288 N -2.42 5.43 -0.41 -1.34 1.04 -1.26 -4.99 113.70 109.76 3kvl s SER 288 Ca 0.29 1.53 0.02 0.00 0.48 0.00 0.00 55.95 58.26 3kvl s SER 288 Cb 0.20 -2.42 0.12 0.00 0.10 0.00 0.00 66.02 64.02 3kvl s SER 288 CO 0.47 -1.40 0.19 -0.13 0.98 0.00 0.00 173.24 173.35 3kvl s ARG 289 N -5.09 1.24 0.41 4.02 1.81 -1.26 -4.77 118.95 115.31 3kvl s ARG 289 Ca 0.58 -1.83 -0.25 0.00 -1.72 0.00 0.00 55.73 52.51 3kvl s ARG 289 Cb -0.13 -2.45 -0.10 0.00 -0.45 0.00 0.00 34.95 31.81 3kvl s ARG 289 CO 0.55 -1.09 1.14 -2.30 -0.68 0.00 0.00 175.30 172.92 3kvl n PRO 290 N 3.89 1.63 -1.69 3.54 -0.02 -1.26 -4.88 135.00 136.21 3kvl n PRO 290 Ca 0.05 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 3kvl n PRO 290 Cb 0.37 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3kvl n PRO 290 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kvl n ALA 291 N -0.32 1.13 0.00 3.55 0.00 -1.26 -3.14 120.51 120.47 3kvl n ALA 291 Ca 0.08 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3kvl n ALA 291 Cb 0.39 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3kvl n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvl n GLY 292 N 0.84 1.17 3.70 0.00 0.00 -1.26 -5.07 105.19 104.58 3kvl n GLY 292 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3kvl n GLY 292 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvl n LEU 293 N 0.00 3.69 -0.03 0.99 4.77 -1.19 -4.91 117.00 120.33 3kvl n LEU 293 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 3kvl n LEU 293 Cb 0.00 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 39.49 3kvl n LEU 293 CO 0.00 -0.16 -0.75 0.00 -1.33 0.00 0.00 177.39 175.15 3kvl n GLN 294 N 2.33 1.27 -1.64 3.23 1.13 -1.26 -5.02 117.38 117.41 3kvl n GLN 294 Ca 0.11 -0.06 -0.43 0.00 -1.94 0.00 0.00 57.00 54.68 3kvl n GLN 294 Cb 0.34 -1.29 -0.01 0.00 0.11 0.00 0.00 30.24 29.39 3kvl n GLN 294 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kvl n GLY 295 N 2.06 0.14 0.28 1.08 0.00 -1.26 -4.85 105.19 102.64 3kvl n GLY 295 Ca -0.10 0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3kvl n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvl h ALA 296 N 2.17 1.84 -0.54 4.61 0.00 -1.95 -2.51 119.26 122.87 3kvl h ALA 296 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kvl h ALA 296 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kvl h ALA 296 CO 0.61 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 181.12 3kvl n LEU 297 N -4.27 4.71 0.30 0.00 4.77 -1.26 -4.55 117.00 116.70 3kvl n LEU 297 Ca -0.03 -2.38 0.17 0.00 -0.03 0.00 0.00 56.01 53.74 3kvl n LEU 297 Cb 0.10 -0.61 0.95 0.00 -2.33 0.00 0.00 43.42 41.54 3kvl n LEU 297 CO 0.32 0.65 1.10 0.08 -1.33 0.00 0.00 177.39 178.20 3kvl h ARG 298 N 3.56 0.00 -0.69 3.23 0.11 -1.81 -2.22 114.38 116.56 3kvl h ARG 298 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3kvl h ARG 298 Cb 1.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.64 3kvl h ARG 298 CO 0.32 0.03 0.00 0.43 0.10 0.00 0.00 179.97 180.85 3kvl n SER 299 N -3.52 3.69 -4.77 0.08 7.64 -1.26 -4.92 113.62 110.56 3kvl n SER 299 Ca -0.02 -2.01 -0.40 0.00 1.01 0.00 0.00 58.87 57.45 3kvl n SER 299 Cb 0.13 -0.46 -0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3kvl n SER 299 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3kvl s GLU 300 N -1.09 4.05 0.31 1.43 0.41 -0.84 -4.98 118.70 118.00 3kvl s GLU 300 Ca 0.46 2.36 -0.29 0.00 -0.41 0.00 0.00 54.97 57.09 3kvl s GLU 300 Cb 0.24 -2.88 -0.10 0.00 -1.78 0.00 0.00 34.13 29.61 3kvl s GLU 300 CO 0.31 -0.49 1.30 0.99 -0.49 0.00 0.00 175.26 176.87 3kvl s THR 301 N -1.18 2.82 -5.00 3.63 2.01 -1.26 -4.93 115.64 111.73 3kvl s THR 301 Ca 0.54 0.80 0.00 0.00 0.31 0.00 0.00 61.69 63.35 3kvl s THR 301 Cb -0.42 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.58 3kvl s THR 301 CO 0.56 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 3kvl n GLY 302 N 1.05 0.34 3.79 4.40 0.00 -1.26 -4.45 105.19 109.05 3kvl n GLY 302 Ca 0.01 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3kvl n GLY 302 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kvl s GLY 303 N 0.00 2.55 -0.11 -0.02 0.00 -0.23 -4.58 107.32 104.94 3kvl s GLY 303 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 44.72 44.50 3kvl s GLY 303 CO 0.00 0.52 0.33 -2.27 0.00 0.00 0.00 173.10 171.68 3kvl s LEU 304 N -0.52 4.33 0.38 0.66 2.96 0.65 -1.85 118.68 125.29 3kvl s LEU 304 Ca 0.27 0.67 0.04 0.00 -0.22 0.00 0.00 54.13 54.89 3kvl s LEU 304 Cb -0.18 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 3kvl s LEU 304 CO 0.15 0.18 0.09 -0.94 -1.32 0.00 0.00 176.35 174.52 3kvl s SER 305 N -0.10 2.70 0.00 3.68 1.04 0.13 -1.82 113.70 119.33 3kvl s SER 305 Ca 0.20 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 55.07 3kvl s SER 305 Cb -0.14 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3kvl s SER 305 CO 0.07 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3kvl n GLY 306 N -0.85 -1.43 0.37 7.32 0.00 -1.26 -2.57 105.19 106.78 3kvl n GLY 306 Ca -0.05 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3kvl n GLY 306 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kvl h LYS 307 N 0.00 1.18 0.00 1.61 3.64 -1.57 -1.12 116.57 120.30 3kvl h LYS 307 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3kvl h LYS 307 Cb 0.00 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 3kvl h LYS 307 CO 0.00 0.78 0.00 -1.35 -2.27 0.00 0.00 179.45 176.61 3kvl h PRO 308 N 1.21 0.00 0.00 1.90 0.11 -1.81 -1.24 132.00 132.17 3kvl h PRO 308 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3kvl h PRO 308 Cb -0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3kvl h PRO 308 CO -0.11 0.00 -0.95 -0.11 -0.21 0.00 0.00 178.00 176.62 3kvl n LEU 309 N -2.73 0.78 0.09 2.35 7.94 -0.43 -4.68 117.00 120.31 3kvl n LEU 309 Ca -0.01 0.27 -0.14 0.00 -1.11 0.00 0.00 56.01 55.02 3kvl n LEU 309 Cb 0.11 -0.09 -0.07 0.00 0.53 0.00 0.00 43.42 43.91 3kvl n LEU 309 CO 0.18 -0.14 0.60 -0.09 -1.11 0.00 0.00 177.39 176.83 3kvl h ARG 310 N 0.00 -0.58 0.00 1.96 2.43 -1.12 -1.31 114.38 115.76 3kvl h ARG 310 Ca 0.00 0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 3kvl h ARG 310 Cb 0.92 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3kvl h ARG 310 CO 0.00 -0.38 -0.70 -0.44 -1.51 0.00 0.00 179.97 176.93 3kvl h ASP 311 N -0.60 0.00 -0.75 -3.80 5.19 -1.83 -0.97 116.42 113.66 3kvl h ASP 311 Ca 0.04 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.48 3kvl h ASP 311 Cb 0.65 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.11 3kvl h ASP 311 CO -0.27 0.70 0.47 0.25 -3.12 0.00 0.00 179.24 177.27 3kvl h LEU 312 N 0.00 0.77 -0.26 1.55 5.85 -1.77 -0.17 115.31 121.27 3kvl h LEU 312 Ca -0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3kvl h LEU 312 Cb 1.44 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3kvl h LEU 312 CO 0.09 0.53 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.42 3kvl h SER 313 N 0.91 0.46 -0.87 1.25 0.87 -0.87 -2.30 113.55 113.01 3kvl h SER 313 Ca 0.30 -0.33 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3kvl h SER 313 Cb 0.04 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 3kvl h SER 313 CO -0.12 0.68 0.57 0.74 -0.53 0.00 0.00 176.83 178.17 3kvl h THR 314 N 0.24 1.16 -0.06 2.23 2.02 -0.89 -0.30 112.91 117.32 3kvl h THR 314 Ca 0.07 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.77 3kvl h THR 314 Cb 0.45 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3kvl h THR 314 CO 0.02 0.20 -0.41 1.56 0.37 0.00 0.00 175.52 177.26 3kvl h GLN 315 N 1.12 0.12 -0.35 6.66 1.08 -0.99 -0.46 115.11 122.28 3kvl h GLN 315 Ca 0.34 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.32 3kvl h GLN 315 Cb -0.03 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3kvl h GLN 315 CO -0.10 0.51 -0.43 1.15 -0.95 0.00 0.00 178.83 179.01 3kvl h THR 316 N 0.10 1.27 -0.43 -0.54 2.02 -0.75 -1.41 112.91 113.18 3kvl h THR 316 Ca 0.01 -1.61 0.04 0.00 0.77 0.00 0.00 66.41 65.61 3kvl h THR 316 Cb 0.77 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 3kvl h THR 316 CO 0.06 0.53 0.20 0.40 0.37 0.00 0.00 175.52 177.08 3kvl h ILE 317 N 0.72 0.95 -0.45 3.11 2.04 -0.75 -0.93 117.51 122.20 3kvl h ILE 317 Ca 0.04 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3kvl h ILE 317 Cb 1.04 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3kvl h ILE 317 CO 0.10 0.07 0.26 -0.09 0.00 0.00 0.00 178.15 178.50 3kvl h ARG 318 N 0.41 0.51 -0.25 2.37 2.43 -0.86 -0.56 114.38 118.43 3kvl h ARG 318 Ca 0.19 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3kvl h ARG 318 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3kvl h ARG 318 CO -0.14 0.34 0.02 1.49 -1.51 0.00 0.00 179.97 180.16 3kvl h GLU 319 N 0.53 0.44 -0.24 0.20 4.81 -1.06 -2.52 114.58 116.74 3kvl h GLU 319 Ca 0.18 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3kvl h GLU 319 Cb 0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3kvl h GLU 319 CO -0.08 0.59 -0.24 0.52 -0.73 0.00 0.00 179.01 179.07 3kvl h MET 320 N 0.22 0.44 -0.42 1.92 2.86 -0.91 -0.20 114.93 118.85 3kvl h MET 320 Ca 0.07 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3kvl h MET 320 Cb 0.38 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3kvl h MET 320 CO 0.01 0.65 0.20 -0.92 1.06 0.00 0.00 176.91 177.92 3kvl h TYR 321 N 0.39 0.60 -0.36 -0.22 3.20 -1.06 -1.67 116.97 117.85 3kvl h TYR 321 Ca 0.06 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3kvl h TYR 321 Cb 0.64 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kvl h TYR 321 CO 0.02 0.49 0.03 0.00 -1.64 0.00 0.00 178.16 177.06 3kvl h ALA 322 N 1.05 0.48 0.00 1.82 0.00 -1.00 0.31 119.26 121.93 3kvl h ALA 322 Ca 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3kvl h ALA 322 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kvl h ALA 322 CO -0.02 0.22 -0.18 -0.07 0.00 0.00 0.00 179.25 179.21 3kvl h LEU 323 N 0.44 0.00 -2.82 0.00 3.38 -0.93 -1.84 115.31 113.54 3kvl h LEU 323 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kvl h LEU 323 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3kvl h LEU 323 CO 0.01 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.07 3kvl n THR 324 N -3.95 1.12 -2.24 0.22 -2.24 -0.64 -4.90 114.28 101.65 3kvl n THR 324 Ca -0.02 -1.03 -0.19 0.00 -2.27 0.00 0.00 64.05 60.54 3kvl n THR 324 Cb 0.26 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 3kvl n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvl n GLN 325 N 1.46 -1.74 -1.05 -0.78 6.02 -0.68 -1.66 117.38 118.96 3kvl n GLN 325 Ca 0.24 0.95 -0.02 0.00 -0.01 0.00 0.00 57.00 58.16 3kvl n GLN 325 Cb 0.64 -5.55 -0.01 0.00 1.02 0.00 0.00 30.24 26.35 3kvl n GLN 325 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvl n GLY 326 N -0.85 0.40 0.19 1.08 0.00 0.01 -4.84 105.19 101.17 3kvl n GLY 326 Ca -0.22 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 45.83 3kvl n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvl n ARG 327 N -1.16 0.51 -4.03 1.61 1.74 -0.66 -4.82 116.66 109.84 3kvl n ARG 327 Ca -0.02 -0.38 -0.33 0.00 -0.77 0.00 0.00 57.85 56.35 3kvl n ARG 327 Cb 0.28 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 3kvl n ARG 327 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kvl s VAL 328 N -2.75 2.47 0.26 1.55 1.01 -1.26 -5.08 120.40 116.60 3kvl s VAL 328 Ca 0.15 -1.13 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 3kvl s VAL 328 Cb 0.18 -2.24 -0.13 0.00 0.00 0.00 0.00 36.38 34.19 3kvl s VAL 328 CO 0.67 0.26 1.43 -2.65 0.00 0.00 0.00 175.10 174.81 3kvl n PRO 329 N 4.60 2.16 -5.15 2.72 -0.02 -1.26 -4.79 135.00 133.27 3kvl n PRO 329 Ca -0.17 0.77 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 3kvl n PRO 329 Cb 0.47 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 3kvl n PRO 329 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kvl s ILE 330 N -0.16 1.94 -0.34 4.25 1.01 -1.26 -1.16 121.20 125.48 3kvl s ILE 330 Ca 0.66 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 3kvl s ILE 330 Cb -0.61 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 3kvl s ILE 330 CO 0.51 0.54 0.25 -0.63 0.00 0.00 0.00 174.94 175.60 3kvl s ILE 331 N 0.20 5.28 -0.10 2.92 1.01 0.20 -0.81 121.20 129.90 3kvl s ILE 331 Ca -0.13 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 3kvl s ILE 331 Cb -0.16 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3kvl s ILE 331 CO 0.07 0.00 0.43 -0.83 0.00 0.00 0.00 174.94 174.61 3kvl s GLY 332 N 1.73 2.38 -0.09 6.18 0.00 0.63 -1.09 107.32 117.06 3kvl s GLY 332 Ca 0.07 -0.24 -0.13 0.00 0.00 0.00 0.00 44.72 44.42 3kvl s GLY 332 CO 0.11 0.59 0.33 0.54 0.00 0.00 0.00 173.10 174.67 3kvl s VAL 333 N 0.24 0.02 0.00 1.40 0.11 0.89 -1.36 120.40 121.70 3kvl s VAL 333 Ca 0.24 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 3kvl s VAL 333 Cb -0.15 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 3kvl s VAL 333 CO 0.10 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 3kvl n GLY 334 N 2.29 2.66 2.23 6.54 0.00 -1.26 -0.76 105.19 116.89 3kvl n GLY 334 Ca -0.16 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 3kvl n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvl n GLY 335 N 0.00 0.83 3.64 -0.02 0.00 -1.23 -4.05 105.19 104.37 3kvl n GLY 335 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 3kvl n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvl s VAL 336 N -2.34 4.66 0.00 1.61 1.01 -1.26 -4.69 120.40 119.39 3kvl s VAL 336 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.66 3kvl s VAL 336 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3kvl s VAL 336 CO 0.00 -0.30 0.36 -0.24 0.00 0.00 0.00 175.10 174.93 3kvl n SER 337 N 6.46 0.23 -3.88 3.32 2.88 -1.26 -4.52 113.62 116.85 3kvl n SER 337 Ca 0.09 -1.09 -0.09 0.00 -1.33 0.00 0.00 58.87 56.46 3kvl n SER 337 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 3kvl n SER 337 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3kvl s SER 338 N -0.09 -0.18 0.30 -3.46 1.04 -1.26 -4.82 113.70 105.23 3kvl s SER 338 Ca 0.00 -0.71 -0.01 0.00 0.48 0.00 0.00 55.95 55.70 3kvl s SER 338 Cb 0.00 0.61 0.45 0.00 0.10 0.00 0.00 66.02 67.18 3kvl s SER 338 CO 0.00 -1.15 1.94 1.23 0.98 0.00 0.00 173.24 176.24 3kvl h GLY 339 N 2.20 1.06 0.98 7.32 0.00 -1.80 -1.83 103.07 111.00 3kvl h GLY 339 Ca -0.26 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 3kvl h GLY 339 CO 0.34 0.43 0.24 -1.61 0.00 0.00 0.00 176.54 175.94 3kvl h GLN 340 N 1.01 0.81 -0.70 4.80 4.15 -1.90 -0.03 115.11 123.25 3kvl h GLN 340 Ca 0.26 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.57 3kvl h GLN 340 Cb -0.01 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 3kvl h GLN 340 CO -0.05 0.69 0.44 -0.44 -1.93 0.00 0.00 178.83 177.55 3kvl h ASP 341 N 0.75 0.73 -0.17 -0.69 3.32 -1.81 -0.40 116.42 118.14 3kvl h ASP 341 Ca 0.19 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3kvl h ASP 341 Cb 0.17 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3kvl h ASP 341 CO -0.02 0.51 0.01 0.00 -1.72 0.00 0.00 179.24 178.02 3kvl h ALA 342 N 1.30 0.23 -0.24 3.45 0.00 -0.99 -2.89 119.26 120.12 3kvl h ALA 342 Ca 0.28 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3kvl h ALA 342 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kvl h ALA 342 CO -0.11 -0.08 -0.11 1.25 0.00 0.00 0.00 179.25 180.20 3kvl h LEU 343 N 0.06 0.38 -0.78 0.00 5.85 -0.72 -0.87 115.31 119.23 3kvl h LEU 343 Ca 0.05 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3kvl h LEU 343 Cb 0.35 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3kvl h LEU 343 CO 0.01 0.53 0.15 -0.33 -0.34 0.00 0.00 178.44 178.45 3kvl h GLU 344 N 0.37 1.07 -0.27 1.25 5.08 -0.97 0.20 114.58 121.31 3kvl h GLU 344 Ca 0.07 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 3kvl h GLU 344 Cb 0.43 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3kvl h GLU 344 CO 0.02 0.95 -0.51 0.87 -1.00 0.00 0.00 179.01 179.35 3kvl h LYS 345 N 1.01 0.77 -0.08 2.33 1.57 -1.23 -1.40 116.57 119.55 3kvl h LYS 345 Ca 0.21 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3kvl h LYS 345 Cb 0.37 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3kvl h LYS 345 CO 0.00 1.10 0.04 0.82 -0.57 0.00 0.00 179.45 180.84 3kvl h ILE 346 N 0.60 1.11 0.00 1.86 2.04 -0.84 0.11 117.51 122.39 3kvl h ILE 346 Ca 0.02 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3kvl h ILE 346 Cb 1.09 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3kvl h ILE 346 CO 0.11 0.09 -0.11 0.03 0.00 0.00 0.00 178.15 178.28 3kvl h ARG 347 N 0.00 0.00 0.00 2.37 3.08 -0.59 0.04 114.38 119.28 3kvl h ARG 347 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3kvl h ARG 347 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3kvl h ARG 347 CO -0.00 0.11 0.00 0.00 -1.07 0.00 0.00 179.97 179.01 3kvl h ALA 348 N 1.89 1.00 0.00 0.04 0.00 -0.89 -1.76 119.26 119.54 3kvl h ALA 348 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kvl h ALA 348 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kvl h ALA 348 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3kvl n GLY 349 N 0.72 -0.53 3.73 0.00 0.00 -0.38 -3.85 105.19 104.88 3kvl n GLY 349 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kvl n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvl s ALA 350 N -0.32 3.25 -0.05 4.61 0.00 -0.04 -4.42 121.76 124.79 3kvl s ALA 350 Ca 0.00 0.61 0.13 0.00 0.00 0.00 0.00 51.96 52.69 3kvl s ALA 350 Cb 0.00 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 3kvl s ALA 350 CO 0.00 -0.07 1.09 0.77 0.00 0.00 0.00 175.76 177.55 3kvl h SER 351 N 5.63 0.00 -5.17 0.00 0.02 -1.29 -3.38 113.55 109.37 3kvl h SER 351 Ca -0.43 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.39 3kvl h SER 351 Cb 1.21 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.59 3kvl h SER 351 CO 0.72 0.74 -0.65 -0.76 -1.14 0.00 0.00 176.83 175.75 3kvl s LEU 352 N -6.27 2.31 0.22 5.07 1.43 -1.18 -4.92 118.68 115.34 3kvl s LEU 352 Ca -0.00 -0.83 0.07 0.00 -1.03 0.00 0.00 54.13 52.33 3kvl s LEU 352 Cb 0.09 0.27 -0.05 0.00 0.03 0.00 0.00 46.19 46.52 3kvl s LEU 352 CO 0.80 -0.54 -0.10 0.68 0.23 0.00 0.00 176.35 177.42 3kvl s VAL 353 N -3.29 1.56 0.15 -1.59 -7.23 0.49 -0.27 120.40 110.21 3kvl s VAL 353 Ca 0.01 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 3kvl s VAL 353 Cb 0.03 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 3kvl s VAL 353 CO -0.08 -0.51 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.01 3kvl s GLN 354 N -3.71 1.07 0.04 4.82 -0.21 -0.47 -0.54 119.66 120.68 3kvl s GLN 354 Ca 0.24 -1.46 -0.03 0.00 0.02 0.00 0.00 55.36 54.13 3kvl s GLN 354 Cb 0.02 -0.60 -0.02 0.00 1.00 0.00 0.00 33.01 33.40 3kvl s GLN 354 CO 0.08 0.06 0.04 -0.48 -2.12 0.00 0.00 175.29 172.87 3kvl s LEU 355 N -3.17 2.08 0.23 2.90 0.05 -0.53 -4.27 118.68 115.96 3kvl s LEU 355 Ca 0.17 -0.70 0.00 0.00 0.05 0.00 0.00 54.13 53.65 3kvl s LEU 355 Cb 0.03 0.42 0.00 0.00 -2.05 0.00 0.00 46.19 44.59 3kvl s LEU 355 CO 0.01 -0.53 0.00 0.00 -0.55 0.00 0.00 176.35 175.28 3kvl n TYR 356 N 0.59 -2.05 -0.21 3.48 -0.00 -1.26 -1.72 117.16 115.98 3kvl n TYR 356 Ca -0.18 0.37 0.08 0.00 -0.00 0.00 0.00 57.90 58.17 3kvl n TYR 356 Cb 0.59 0.61 0.36 0.00 -0.00 0.00 0.00 39.34 40.90 3kvl n TYR 356 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.86 178.01 3kvl h THR 357 N 0.00 0.97 -0.63 2.97 2.02 -1.97 0.91 112.91 117.17 3kvl h THR 357 Ca 0.00 -0.25 0.09 0.00 0.77 0.00 0.00 66.41 67.02 3kvl h THR 357 Cb 0.00 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.54 3kvl h THR 357 CO 0.00 0.13 0.42 0.00 0.37 0.00 0.00 175.52 176.44 3kvl h ALA 358 N 1.60 1.92 -0.35 6.16 0.00 -1.93 -0.06 119.26 126.61 3kvl h ALA 358 Ca 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3kvl h ALA 358 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kvl h ALA 358 CO -0.13 -0.05 0.08 1.25 0.00 0.00 0.00 179.25 180.40 3kvl h LEU 359 N 0.50 0.47 -0.52 0.00 5.85 -1.09 0.26 115.31 120.78 3kvl h LEU 359 Ca 0.29 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3kvl h LEU 359 Cb 0.46 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3kvl h LEU 359 CO -0.09 0.48 0.00 0.71 -0.34 0.00 0.00 178.44 179.21 3kvl h THR 360 N 0.51 0.00 0.00 1.05 1.35 -1.03 0.11 112.91 114.90 3kvl h THR 360 Ca 0.12 -0.76 -0.38 0.00 -0.55 0.00 0.00 66.41 64.84 3kvl h THR 360 Cb 0.20 1.74 -0.07 0.00 -1.73 0.00 0.00 68.15 68.30 3kvl h THR 360 CO -0.00 0.00 -2.45 0.49 -0.25 0.00 0.00 175.52 173.31 3kvl n PHE 361 N -2.98 0.00 0.44 4.73 3.01 -0.96 -4.70 117.46 117.00 3kvl n PHE 361 Ca 0.03 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.56 3kvl n PHE 361 Cb 0.43 -0.98 -0.10 0.00 -0.01 0.00 0.00 39.48 38.83 3kvl n PHE 361 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3kvl n TRP 362 N -3.24 0.00 -1.61 1.38 5.03 0.04 -4.73 117.44 114.31 3kvl n TRP 362 Ca -0.45 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.10 3kvl n TRP 362 Cb 0.98 -0.13 -0.01 0.00 -1.03 0.00 0.00 31.31 31.12 3kvl n TRP 362 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3kvl n GLY 363 N 1.45 -2.10 0.43 6.99 0.00 0.36 -4.10 105.19 108.23 3kvl n GLY 363 Ca 0.01 -1.43 0.23 0.00 0.00 0.00 0.00 46.02 44.83 3kvl n GLY 363 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kvl h PRO 364 N 0.00 0.25 0.00 1.61 0.11 -1.95 -2.04 132.00 129.99 3kvl h PRO 364 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3kvl h PRO 364 Cb 0.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3kvl h PRO 364 CO 0.00 0.17 0.01 -1.35 -0.21 0.00 0.00 178.00 176.62 3kvl h PRO 365 N 0.26 0.00 0.00 1.05 0.11 -1.96 -2.44 132.00 129.02 3kvl h PRO 365 Ca 0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.54 3kvl h PRO 365 Cb 1.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.52 3kvl h PRO 365 CO -0.13 0.00 -0.22 -0.24 -0.21 0.00 0.00 178.00 177.19 3kvl h VAL 366 N 0.00 0.85 0.26 3.15 3.04 -1.58 -2.27 116.25 119.71 3kvl h VAL 366 Ca 0.00 -0.87 -0.01 0.00 -1.01 0.00 0.00 66.70 64.81 3kvl h VAL 366 Cb 0.02 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3kvl h VAL 366 CO 0.00 0.22 -0.13 0.58 -1.01 0.00 0.00 177.57 177.23 3kvl h VAL 367 N 0.00 0.79 -0.37 1.51 2.07 -1.67 -0.39 116.25 118.19 3kvl h VAL 367 Ca -0.00 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3kvl h VAL 367 Cb 0.50 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3kvl h VAL 367 CO 0.03 0.08 0.04 1.23 0.02 0.00 0.00 177.57 178.96 3kvl h GLY 368 N -0.54 0.61 0.93 2.17 0.00 -1.71 -2.43 103.07 102.10 3kvl h GLY 368 Ca -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3kvl h GLY 368 CO 0.06 0.32 0.13 1.70 0.00 0.00 0.00 176.54 178.75 3kvl h LYS 369 N 0.55 0.37 -0.62 4.80 3.64 -1.15 0.48 116.57 124.64 3kvl h LYS 369 Ca 0.12 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3kvl h LYS 369 Cb 0.29 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3kvl h LYS 369 CO 0.01 0.36 0.40 0.28 -2.27 0.00 0.00 179.45 178.23 3kvl h VAL 370 N 0.29 1.13 -0.35 2.00 2.07 -0.86 -0.56 116.25 119.97 3kvl h VAL 370 Ca 0.09 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3kvl h VAL 370 Cb 0.11 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3kvl h VAL 370 CO -0.01 0.15 -0.08 0.11 0.02 0.00 0.00 177.57 177.76 3kvl h LYS 371 N 0.81 0.68 -0.41 1.57 1.57 -1.20 -0.08 116.57 119.51 3kvl h LYS 371 Ca 0.23 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3kvl h LYS 371 Cb -0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3kvl h LYS 371 CO -0.06 0.83 0.15 -0.09 -0.57 0.00 0.00 179.45 179.71 3kvl h ARG 372 N 0.47 0.61 -0.42 3.15 2.43 -0.76 -1.44 114.38 118.43 3kvl h ARG 372 Ca 0.09 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 3kvl h ARG 372 Cb 0.58 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3kvl h ARG 372 CO 0.03 0.59 -0.17 0.93 -1.51 0.00 0.00 179.97 179.84 3kvl h GLU 373 N 0.51 0.79 -0.41 0.20 5.08 -1.05 -2.41 114.58 117.29 3kvl h GLU 373 Ca 0.13 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3kvl h GLU 373 Cb 0.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3kvl h GLU 373 CO -0.01 0.90 0.13 1.25 -1.00 0.00 0.00 179.01 180.29 3kvl h LEU 374 N 0.70 0.60 -0.48 1.33 5.85 -0.80 -1.17 115.31 121.34 3kvl h LEU 374 Ca 0.11 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3kvl h LEU 374 Cb 0.67 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3kvl h LEU 374 CO 0.05 0.64 0.29 -0.08 -0.34 0.00 0.00 178.44 179.00 3kvl h GLU 375 N 0.52 0.57 -0.67 1.25 4.81 -1.18 -0.91 114.58 118.98 3kvl h GLU 375 Ca 0.13 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3kvl h GLU 375 Cb 0.25 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3kvl h GLU 375 CO -0.01 0.38 0.28 0.00 -0.73 0.00 0.00 179.01 178.94 3kvl h ALA 376 N 1.20 0.87 -0.43 2.92 0.00 -1.18 -2.40 119.26 120.25 3kvl h ALA 376 Ca 0.19 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3kvl h ALA 376 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kvl h ALA 376 CO -0.07 0.48 -0.28 -0.07 0.00 0.00 0.00 179.25 179.30 3kvl h LEU 377 N 0.95 0.97 -0.54 0.00 3.38 -0.98 -1.04 115.31 118.04 3kvl h LEU 377 Ca 0.23 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3kvl h LEU 377 Cb 0.18 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3kvl h LEU 377 CO -0.02 1.18 0.30 -0.07 0.09 0.00 0.00 178.44 179.92 3kvl h LEU 378 N 0.79 0.46 -0.39 1.67 3.38 -0.99 -0.38 115.31 119.84 3kvl h LEU 378 Ca 0.09 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kvl h LEU 378 Cb 0.86 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3kvl h LEU 378 CO 0.08 0.32 0.15 0.11 0.09 0.00 0.00 178.44 179.18 3kvl h LYS 379 N 0.59 0.60 -0.28 1.13 1.57 -1.23 -0.86 116.57 118.08 3kvl h LYS 379 Ca 0.23 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3kvl h LYS 379 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3kvl h LYS 379 CO -0.13 0.58 0.11 0.93 -0.57 0.00 0.00 179.45 180.37 3kvl h GLU 380 N 0.49 0.39 -0.73 3.15 5.08 -0.68 -2.70 114.58 119.59 3kvl h GLU 380 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kvl h GLU 380 Cb 0.21 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3kvl h GLU 380 CO -0.01 0.32 0.00 1.04 -1.00 0.00 0.00 179.01 179.36 3kvl n GLN 381 N -4.43 2.80 -0.63 2.33 6.02 -0.20 -4.94 117.38 118.33 3kvl n GLN 381 Ca 0.01 -2.67 0.00 0.00 -0.01 0.00 0.00 57.00 54.33 3kvl n GLN 381 Cb 0.13 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.80 3kvl n GLN 381 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvl n GLY 382 N 1.60 0.67 3.76 1.08 0.00 -0.93 -5.04 105.19 106.33 3kvl n GLY 382 Ca 0.24 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3kvl n GLY 382 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kvl s PHE 383 N -2.00 3.69 0.11 1.61 0.40 -0.37 -4.96 117.98 116.46 3kvl s PHE 383 Ca 0.00 1.23 0.24 0.00 -0.60 0.00 0.00 56.93 57.81 3kvl s PHE 383 Cb 0.00 -2.63 0.90 0.00 0.51 0.00 0.00 43.02 41.80 3kvl s PHE 383 CO 0.00 0.35 1.81 0.78 0.70 0.00 0.00 175.22 178.87 3kvl h GLY 384 N 5.59 0.00 -1.74 4.36 0.00 -1.95 -3.38 103.07 105.94 3kvl h GLY 384 Ca -0.45 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.16 3kvl h GLY 384 CO 0.69 0.00 0.79 -0.32 0.00 0.00 0.00 176.54 177.71 3kvl s GLY 385 N -4.28 -0.04 0.26 4.60 0.00 -1.26 -4.76 107.32 101.83 3kvl s GLY 385 Ca 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.60 3kvl s GLY 385 CO 0.64 4.55 1.81 -2.08 0.00 0.00 0.00 173.10 178.02 3kvl h VAL 386 N 2.00 0.89 -0.85 1.40 2.07 -1.48 -2.46 116.25 117.82 3kvl h VAL 386 Ca -0.24 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3kvl h VAL 386 Cb 1.20 -0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3kvl h VAL 386 CO 0.33 0.15 0.56 0.74 0.02 0.00 0.00 177.57 179.37 3kvl h THR 387 N 0.82 1.14 0.00 2.57 2.02 -1.83 -0.60 112.91 117.03 3kvl h THR 387 Ca 0.43 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 3kvl h THR 387 Cb 0.43 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3kvl h THR 387 CO -0.26 0.19 -0.17 0.44 0.37 0.00 0.00 175.52 176.09 3kvl h ASP 388 N 1.06 0.00 0.85 4.18 3.45 -1.84 -3.00 116.42 121.11 3kvl h ASP 388 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 3kvl h ASP 388 Cb 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 3kvl h ASP 388 CO -0.10 0.17 -0.81 0.00 -1.57 0.00 0.00 179.24 176.93 3kvl h ALA 389 N 1.83 0.51 -2.21 3.45 0.00 -1.11 -3.44 119.26 118.30 3kvl h ALA 389 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3kvl h ALA 389 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kvl h ALA 389 CO 0.02 0.00 1.32 0.42 0.00 0.00 0.00 179.25 181.01 3kvl s ILE 390 N -3.24 3.06 -0.05 0.00 1.01 -1.07 -1.47 121.20 119.44 3kvl s ILE 390 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3kvl s ILE 390 Cb 0.12 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3kvl s ILE 390 CO 0.76 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.29 3kvl n GLY 391 N 4.98 0.45 0.34 6.18 0.00 -0.14 -4.90 105.19 112.09 3kvl n GLY 391 Ca 0.23 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3kvl n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvl h ALA 392 N 0.00 2.13 0.00 4.61 0.00 -0.90 -0.87 119.26 124.24 3kvl h ALA 392 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kvl h ALA 392 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kvl h ALA 392 CO 0.01 -0.23 -0.09 -0.44 0.00 0.00 0.00 179.25 178.50 3kvl h ASP 393 N 0.21 0.00 1.34 0.00 3.32 -1.60 -2.20 116.42 117.48 3kvl h ASP 393 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kvl h ASP 393 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3kvl h ASP 393 CO -0.03 0.09 0.00 1.41 -1.72 0.00 0.00 179.24 178.99 3kvl n HIS 394 N -4.18 0.68 0.80 4.55 8.25 -0.33 -5.10 115.22 119.90 3kvl n HIS 394 Ca -0.03 0.20 0.10 0.00 -0.26 0.00 0.00 57.72 57.73 3kvl n HIS 394 Cb 0.18 -0.83 0.08 0.00 1.12 0.00 0.00 29.99 30.54 3kvl n HIS 394 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52