#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvk s ASP 34 N 0.00 7.06 0.22 1.61 -1.08 -1.26 -4.74 116.67 118.49 3kvk s ASP 34 Ca 0.00 1.61 -0.09 0.00 -0.52 0.00 0.00 52.55 53.55 3kvk s ASP 34 Cb 0.00 -2.55 0.19 0.00 -1.46 0.00 0.00 42.92 39.10 3kvk s ASP 34 CO 0.00 -0.64 1.90 -0.33 0.52 0.00 0.00 175.17 176.61 3kvk h GLU 35 N 7.64 1.10 -0.12 4.34 5.08 -1.96 -2.49 114.58 128.17 3kvk h GLU 35 Ca -0.27 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 57.87 3kvk h GLU 35 Cb 1.11 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3kvk h GLU 35 CO 0.93 0.73 -0.58 0.00 -1.00 0.00 0.00 179.01 179.09 3kvk h ARG 36 N 1.14 0.39 -0.36 2.33 3.08 -1.96 -0.78 114.38 118.21 3kvk h ARG 36 Ca 0.31 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 3kvk h ARG 36 Cb -0.13 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3kvk h ARG 36 CO -0.07 0.86 -0.37 0.35 -1.07 0.00 0.00 179.97 179.67 3kvk h PHE 37 N 0.29 1.02 -0.24 3.04 3.57 -1.88 0.14 116.94 122.88 3kvk h PHE 37 Ca -0.00 -0.30 -0.09 0.00 3.53 0.00 0.00 57.97 61.11 3kvk h PHE 37 Cb 1.10 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 3kvk h PHE 37 CO 0.03 1.09 -0.22 1.88 -2.23 0.00 0.00 178.31 178.87 3kvk h TYR 38 N 0.71 0.68 -0.20 0.41 -1.99 -1.42 -0.95 116.97 114.22 3kvk h TYR 38 Ca 0.06 -0.20 -0.17 0.00 2.00 0.00 0.00 58.73 60.43 3kvk h TYR 38 Cb 0.94 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 39.52 3kvk h TYR 38 CO 0.06 0.89 -0.56 0.00 -0.00 0.00 0.00 178.16 178.55 3kvk h ALA 39 N 0.68 0.66 0.00 3.88 0.00 -1.00 -1.39 119.26 122.08 3kvk h ALA 39 Ca 0.04 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3kvk h ALA 39 Cb 0.77 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3kvk h ALA 39 CO 0.06 0.69 -1.87 0.39 0.00 0.00 0.00 179.25 178.51 3kvk n GLU 40 N -3.96 0.65 0.08 0.00 1.02 0.47 -4.65 120.64 114.26 3kvk n GLU 40 Ca -0.03 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3kvk n GLU 40 Cb 0.61 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3kvk n GLU 40 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kvk n HIS 41 N -2.54 -0.94 0.27 -0.32 8.25 -0.76 -4.78 115.22 114.40 3kvk n HIS 41 Ca -0.12 0.17 -0.16 0.00 -0.26 0.00 0.00 57.72 57.35 3kvk n HIS 41 Cb 0.76 0.23 -0.08 0.00 1.12 0.00 0.00 29.99 32.02 3kvk n HIS 41 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kvk h LEU 42 N 0.00 -0.57 -0.18 2.41 6.46 -1.22 -2.57 115.31 119.65 3kvk h LEU 42 Ca 0.00 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 3kvk h LEU 42 Cb 0.00 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3kvk h LEU 42 CO 0.00 -0.31 0.08 0.24 -0.62 0.00 0.00 178.44 177.83 3kvk h MET 43 N -0.80 0.26 -0.71 1.25 2.86 -1.50 0.03 114.93 116.32 3kvk h MET 43 Ca -0.07 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3kvk h MET 43 Cb 0.57 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 3kvk h MET 43 CO 0.11 0.31 0.47 -1.35 1.06 0.00 0.00 176.91 177.51 3kvk h PRO 44 N 0.15 0.67 -0.12 -0.22 0.11 -1.76 -0.06 132.00 130.77 3kvk h PRO 44 Ca 0.06 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.91 3kvk h PRO 44 Cb 0.13 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.10 3kvk h PRO 44 CO -0.01 0.44 -0.78 1.15 -0.21 0.00 0.00 178.00 178.60 3kvk h THR 45 N 0.69 1.29 -0.69 -1.15 2.02 -1.02 -2.40 112.91 111.65 3kvk h THR 45 Ca 0.31 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.49 3kvk h THR 45 Cb 0.33 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 3kvk h THR 45 CO -0.11 0.62 0.38 0.25 0.37 0.00 0.00 175.52 177.04 3kvk h LEU 46 N 0.44 0.85 -1.21 2.58 5.85 -0.27 -2.31 115.31 121.24 3kvk h LEU 46 Ca -0.06 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3kvk h LEU 46 Cb 1.41 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3kvk h LEU 46 CO 0.16 0.70 -0.27 1.56 -0.34 0.00 0.00 178.44 180.25 3kvk h GLN 47 N 0.94 0.00 0.00 1.25 4.20 -1.04 -0.48 115.11 119.98 3kvk h GLN 47 Ca 0.24 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.87 3kvk h GLN 47 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3kvk h GLN 47 CO -0.04 0.27 -0.39 0.78 -0.67 0.00 0.00 178.83 178.77 3kvk h GLY 48 N 1.78 0.00 0.49 3.46 0.00 -0.91 -3.33 103.07 104.56 3kvk h GLY 48 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3kvk h GLY 48 CO 0.03 0.00 -2.06 1.04 0.00 0.00 0.00 176.54 175.55 3kvk n LEU 49 N -3.44 1.16 -4.23 3.11 4.77 -0.78 -4.95 117.00 112.63 3kvk n LEU 49 Ca 0.00 0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 3kvk n LEU 49 Cb 0.56 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 3kvk n LEU 49 CO 0.37 0.57 -0.55 -0.76 -1.33 0.00 0.00 177.39 175.69 3kvk s LEU 50 N -6.11 2.03 0.86 2.23 1.43 -0.26 -5.11 118.68 113.74 3kvk s LEU 50 Ca -0.13 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 3kvk s LEU 50 Cb 0.07 -1.25 0.11 0.00 0.03 0.00 0.00 46.19 45.15 3kvk s LEU 50 CO 0.79 0.23 1.12 1.51 0.23 0.00 0.00 176.35 180.23 3kvk s ASP 51 N -0.17 3.56 0.25 2.29 -4.77 -1.26 -4.59 116.67 111.98 3kvk s ASP 51 Ca -0.02 2.00 -0.05 0.00 -3.30 0.00 0.00 52.55 51.18 3kvk s ASP 51 Cb -0.13 -2.53 0.28 0.00 -1.09 0.00 0.00 42.92 39.46 3kvk s ASP 51 CO 0.03 -2.66 1.89 1.55 0.70 0.00 0.00 175.17 176.67 3kvk h PRO 52 N -1.57 1.21 -0.44 2.11 0.13 -1.93 -1.30 132.00 130.21 3kvk h PRO 52 Ca -0.44 -0.12 -0.09 0.00 -0.87 0.00 0.00 66.00 64.48 3kvk h PRO 52 Cb 1.25 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 3kvk h PRO 52 CO 0.46 0.86 -0.11 1.49 -0.23 0.00 0.00 178.00 180.48 3kvk h GLU 53 N 1.23 0.79 -0.47 0.86 4.81 -1.92 -0.60 114.58 119.27 3kvk h GLU 53 Ca 0.32 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3kvk h GLU 53 Cb -0.02 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3kvk h GLU 53 CO -0.06 0.87 0.11 0.77 -0.73 0.00 0.00 179.01 179.97 3kvk h SER 54 N 0.71 0.71 -0.82 1.04 0.02 -1.83 -1.21 113.55 112.18 3kvk h SER 54 Ca 0.12 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3kvk h SER 54 Cb 0.59 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3kvk h SER 54 CO 0.04 0.76 0.54 0.00 -1.14 0.00 0.00 176.83 177.03 3kvk h ALA 55 N 0.98 1.04 -0.06 3.77 0.00 -1.01 -0.76 119.26 123.21 3kvk h ALA 55 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kvk h ALA 55 Cb 0.33 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kvk h ALA 55 CO 0.00 0.45 0.03 1.25 0.00 0.00 0.00 179.25 180.98 3kvk h HIS 56 N 1.11 0.08 -0.62 0.00 6.17 -0.81 0.57 115.15 121.63 3kvk h HIS 56 Ca 0.30 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.35 3kvk h HIS 56 Cb -0.13 -0.02 -0.03 0.00 2.52 0.00 0.00 27.41 29.75 3kvk h HIS 56 CO -0.02 0.12 0.26 0.00 0.71 0.00 0.00 177.93 179.01 3kvk h ARG 57 N 0.01 0.92 -0.74 5.26 3.08 -0.99 -0.96 114.38 120.97 3kvk h ARG 57 Ca 0.02 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 3kvk h ARG 57 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3kvk h ARG 57 CO -0.00 0.77 0.25 1.25 -1.07 0.00 0.00 179.97 181.17 3kvk h LEU 58 N 0.87 1.05 -0.61 3.04 5.85 -0.98 -1.76 115.31 122.78 3kvk h LEU 58 Ca 0.21 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 3kvk h LEU 58 Cb 0.18 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3kvk h LEU 58 CO -0.02 0.97 0.06 0.00 -0.34 0.00 0.00 178.44 179.11 3kvk h ALA 59 N 1.13 0.81 -0.64 1.25 0.00 -0.46 0.15 119.26 121.50 3kvk h ALA 59 Ca 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kvk h ALA 59 Cb 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3kvk h ALA 59 CO -0.01 0.60 0.27 0.28 0.00 0.00 0.00 179.25 180.38 3kvk h VAL 60 N 0.93 1.23 -0.10 0.00 2.07 -1.01 -1.07 116.25 118.30 3kvk h VAL 60 Ca 0.18 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3kvk h VAL 60 Cb 0.47 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3kvk h VAL 60 CO 0.02 0.28 0.03 -0.09 0.02 0.00 0.00 177.57 177.83 3kvk h ARG 61 N 0.89 0.16 -0.90 1.57 9.65 -0.88 -1.02 114.38 123.85 3kvk h ARG 61 Ca 0.21 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3kvk h ARG 61 Cb 0.18 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 3kvk h ARG 61 CO -0.02 0.31 0.56 0.74 2.80 0.00 0.00 179.97 184.36 3kvk h PHE 62 N -0.03 1.16 -0.34 2.20 -1.00 -0.91 -2.75 116.94 115.27 3kvk h PHE 62 Ca 0.03 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 3kvk h PHE 62 Cb 0.22 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 3kvk h PHE 62 CO -0.00 0.76 -0.07 1.15 -1.61 0.00 0.00 178.31 178.54 3kvk h THR 63 N 1.23 1.28 0.00 -1.55 2.02 -0.98 -2.13 112.91 112.77 3kvk h THR 63 Ca 0.32 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.39 3kvk h THR 63 Cb -0.08 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3kvk h THR 63 CO -0.06 0.36 0.00 0.77 0.37 0.00 0.00 175.52 176.96 3kvk h SER 64 N 0.44 0.00 -0.14 4.18 4.64 -1.01 -0.51 113.55 121.14 3kvk h SER 64 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3kvk h SER 64 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3kvk h SER 64 CO 0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 3kvk n LEU 65 N -2.73 2.62 -0.34 5.97 4.77 -0.99 -4.84 117.00 121.46 3kvk n LEU 65 Ca -0.00 -0.98 -0.04 0.00 -0.03 0.00 0.00 56.01 54.95 3kvk n LEU 65 Cb 0.18 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3kvk n LEU 65 CO 0.20 0.49 -0.04 0.61 -1.33 0.00 0.00 177.39 177.32 3kvk n GLY 66 N 1.32 0.61 0.00 -0.72 0.00 -0.20 -4.85 105.19 101.36 3kvk n GLY 66 Ca 0.17 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3kvk n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvk n LEU 67 N -0.51 0.00 -5.00 0.99 4.77 -0.84 -4.81 117.00 111.60 3kvk n LEU 67 Ca -0.04 0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 3kvk n LEU 67 Cb 0.34 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3kvk n LEU 67 CO 0.07 -0.02 0.13 -0.76 -1.33 0.00 0.00 177.39 175.48 3kvk s LEU 68 N -2.15 3.70 0.40 2.23 1.43 -1.26 -5.02 118.68 118.01 3kvk s LEU 68 Ca 0.30 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 3kvk s LEU 68 Cb 0.15 -2.65 -0.10 0.00 0.03 0.00 0.00 46.19 43.61 3kvk s LEU 68 CO 0.28 -0.71 1.23 -2.65 0.23 0.00 0.00 176.35 174.73 3kvk n PRO 69 N -1.81 1.88 -3.49 1.29 -0.02 -1.26 -5.00 135.00 126.59 3kvk n PRO 69 Ca 0.07 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.84 3kvk n PRO 69 Cb 0.59 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3kvk n PRO 69 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kvk s ARG 70 N -2.10 4.13 0.00 -0.52 3.52 -1.26 -4.42 118.95 118.29 3kvk s ARG 70 Ca 0.60 0.27 -0.35 0.00 -0.13 0.00 0.00 55.73 56.12 3kvk s ARG 70 Cb -0.53 -3.35 -0.14 0.00 -1.56 0.00 0.00 34.95 29.37 3kvk s ARG 70 CO 0.59 0.38 1.69 0.00 -0.81 0.00 0.00 175.30 177.15 3kvk n ALA 71 N 2.99 0.71 0.01 6.12 0.00 -0.34 -4.85 120.51 125.15 3kvk n ALA 71 Ca -0.12 0.38 -0.06 0.00 0.00 0.00 0.00 53.44 53.65 3kvk n ALA 71 Cb 0.52 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.50 3kvk n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kvk h ARG 72 N 7.20 0.00 -6.24 0.00 3.08 -1.94 -3.45 114.38 113.03 3kvk h ARG 72 Ca -0.47 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.03 3kvk h ARG 72 Cb 1.28 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.34 3kvk h ARG 72 CO 0.91 0.52 1.31 0.34 -1.07 0.00 0.00 179.97 181.97 3kvk n PHE 73 N -3.06 2.34 -3.65 3.04 7.35 -1.26 -4.94 117.46 117.27 3kvk n PHE 73 Ca -0.11 -0.28 -0.36 0.00 -0.76 0.00 0.00 57.45 55.93 3kvk n PHE 73 Cb 0.96 -2.77 -0.09 0.00 0.35 0.00 0.00 39.48 37.93 3kvk n PHE 73 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3kvk s GLN 74 N 5.02 4.09 0.13 -4.13 0.74 -1.26 -5.05 119.66 119.20 3kvk s GLN 74 Ca 0.93 -0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.81 3kvk s GLN 74 Cb -0.42 -3.53 -0.07 0.00 1.10 0.00 0.00 33.01 30.09 3kvk s GLN 74 CO 0.41 0.08 1.21 -0.51 -0.55 0.00 0.00 175.29 175.92 3kvk s ASP 75 N 0.98 7.07 0.51 6.67 -0.00 -1.26 -5.02 116.67 125.63 3kvk s ASP 75 Ca 0.09 2.14 -0.08 0.00 -0.00 0.00 0.00 52.55 54.70 3kvk s ASP 75 Cb -0.13 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.15 3kvk s ASP 75 CO 0.04 -0.43 0.86 -0.94 -0.00 0.00 0.00 175.17 174.70 3kvk s SER 76 N 0.59 6.30 0.60 0.27 1.04 -1.26 -4.96 113.70 116.29 3kvk s SER 76 Ca 0.56 1.11 0.31 0.00 0.48 0.00 0.00 55.95 58.42 3kvk s SER 76 Cb -0.31 -2.33 1.84 0.00 0.10 0.00 0.00 66.02 65.32 3kvk s SER 76 CO 0.33 -0.64 2.20 0.44 0.98 0.00 0.00 173.24 176.55 3kvk h ASP 77 N 0.23 0.00 -0.07 7.02 3.45 -1.95 -1.46 116.42 123.63 3kvk h ASP 77 Ca -0.46 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.02 3kvk h ASP 77 Cb 1.20 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.96 3kvk h ASP 77 CO 0.62 0.00 0.07 0.24 -1.57 0.00 0.00 179.24 178.60 3kvk h MET 78 N 0.00 0.00 -0.01 3.56 2.86 -1.93 -2.53 114.93 116.88 3kvk h MET 78 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3kvk h MET 78 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3kvk h MET 78 CO -0.00 0.00 -0.32 1.28 1.06 0.00 0.00 176.91 178.93 3kvk n LEU 79 N -4.06 1.24 -4.75 1.22 4.77 -0.55 -0.74 117.00 114.13 3kvk n LEU 79 Ca -0.01 -0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.19 3kvk n LEU 79 Cb 0.17 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3kvk n LEU 79 CO 0.30 0.23 0.74 -0.70 -1.33 0.00 0.00 177.39 176.64 3kvk s GLU 80 N -2.51 4.68 0.01 3.23 2.12 -0.96 -3.41 118.70 121.86 3kvk s GLU 80 Ca 0.22 1.66 0.04 0.00 0.36 0.00 0.00 54.97 57.25 3kvk s GLU 80 Cb 0.19 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 3kvk s GLU 80 CO 0.54 0.24 -0.11 0.08 -0.54 0.00 0.00 175.26 175.47 3kvk s VAL 81 N -0.72 0.87 -0.27 3.70 1.01 -0.14 -4.56 120.40 120.30 3kvk s VAL 81 Ca 0.46 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3kvk s VAL 81 Cb -0.29 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.38 3kvk s VAL 81 CO 0.35 0.15 -0.05 -0.13 0.00 0.00 0.00 175.10 175.42 3kvk s ARG 82 N -0.53 2.58 0.19 2.72 0.52 -1.26 0.15 118.95 123.33 3kvk s ARG 82 Ca 0.03 -1.15 -0.15 0.00 -0.52 0.00 0.00 55.73 53.94 3kvk s ARG 82 Cb -0.05 -3.03 0.02 0.00 0.52 0.00 0.00 34.95 32.41 3kvk s ARG 82 CO 0.00 -0.51 0.46 0.14 0.02 0.00 0.00 175.30 175.41 3kvk s VAL 83 N 1.26 0.04 -1.41 3.52 -7.23 -0.60 -4.93 120.40 111.04 3kvk s VAL 83 Ca -0.03 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3kvk s VAL 83 Cb -0.18 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.11 3kvk s VAL 83 CO -0.04 -0.17 0.00 0.18 -0.31 0.00 0.00 175.10 174.76 3kvk n LEU 84 N -0.30 -0.69 0.00 1.32 4.77 -1.26 -0.93 117.00 119.90 3kvk n LEU 84 Ca -0.09 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3kvk n LEU 84 Cb 0.63 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 3kvk n LEU 84 CO 0.19 -0.97 0.00 0.61 -1.33 0.00 0.00 177.39 175.89 3kvk n GLY 85 N -0.25 0.56 3.14 -0.72 0.00 -1.26 -4.76 105.19 101.90 3kvk n GLY 85 Ca -0.13 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 3kvk n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kvk s HIS 86 N -2.00 0.40 -0.06 1.61 3.76 -0.11 -5.14 115.29 113.74 3kvk s HIS 86 Ca 0.00 -0.90 -0.16 0.00 -0.15 0.00 0.00 55.06 53.85 3kvk s HIS 86 Cb 0.00 -0.27 -0.05 0.00 1.11 0.00 0.00 32.58 33.37 3kvk s HIS 86 CO 0.00 -0.45 0.42 0.21 -0.85 0.00 0.00 174.74 174.08 3kvk s LYS 87 N -3.90 4.14 -0.19 1.40 2.20 -1.26 -1.55 119.74 120.57 3kvk s LYS 87 Ca 0.07 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 3kvk s LYS 87 Cb 0.07 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 33.07 3kvk s LYS 87 CO -0.10 0.42 -0.17 -0.06 -0.36 0.00 0.00 175.35 175.08 3kvk s PHE 88 N -0.21 2.83 0.12 4.03 0.40 0.12 -4.15 117.98 121.12 3kvk s PHE 88 Ca 0.24 -1.55 0.26 0.00 -0.60 0.00 0.00 56.93 55.28 3kvk s PHE 88 Cb -0.16 -1.95 1.03 0.00 0.51 0.00 0.00 43.02 42.45 3kvk s PHE 88 CO 0.11 -0.77 1.87 0.07 0.70 0.00 0.00 175.22 177.20 3kvk h ARG 89 N 7.96 0.00 -3.49 0.44 0.11 -1.20 -0.33 114.38 117.87 3kvk h ARG 89 Ca -0.44 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.55 3kvk h ARG 89 Cb 1.14 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.07 3kvk h ARG 89 CO 0.63 0.16 -0.25 0.54 0.10 0.00 0.00 179.97 181.15 3kvk s ASN 90 N -6.07 -0.07 0.00 0.08 2.20 -1.25 -3.50 114.94 106.33 3kvk s ASN 90 Ca 0.01 -0.37 0.08 0.00 -0.94 0.00 0.00 52.86 51.63 3kvk s ASN 90 Cb 0.10 0.38 0.22 0.00 -2.00 0.00 0.00 41.25 39.94 3kvk s ASN 90 CO 0.61 -0.70 1.18 -0.81 -2.94 0.00 0.00 177.10 174.44 3kvk n PRO 91 N 0.20 1.56 -3.74 3.55 -0.04 -1.22 -4.19 135.00 131.12 3kvk n PRO 91 Ca -0.17 -0.88 -0.38 0.00 -0.04 0.00 0.00 63.50 62.04 3kvk n PRO 91 Cb 0.61 -1.19 -0.12 0.00 -0.04 0.00 0.00 33.50 32.76 3kvk n PRO 91 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kvk s VAL 92 N -1.68 3.81 0.37 0.52 1.01 -1.26 -0.37 120.40 122.81 3kvk s VAL 92 Ca 0.16 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 61.07 3kvk s VAL 92 Cb 0.09 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3kvk s VAL 92 CO 0.11 -0.20 0.23 -0.83 0.00 0.00 0.00 175.10 174.41 3kvk s GLY 93 N 1.45 2.02 -0.17 4.51 0.00 0.32 -0.36 107.32 115.09 3kvk s GLY 93 Ca -0.01 -1.85 -0.17 0.00 0.00 0.00 0.00 44.72 42.68 3kvk s GLY 93 CO 0.03 -1.73 0.44 -1.50 0.00 0.00 0.00 173.10 170.33 3kvk s ILE 94 N -2.44 5.19 0.72 0.90 1.10 -1.04 -1.95 121.20 123.68 3kvk s ILE 94 Ca 0.41 0.83 -0.11 0.00 -0.51 0.00 0.00 60.65 61.26 3kvk s ILE 94 Cb -0.02 -3.77 0.03 0.00 0.15 0.00 0.00 42.46 38.84 3kvk s ILE 94 CO 0.25 0.28 1.08 0.00 -2.11 0.00 0.00 174.94 174.44 3kvk s ALA 95 N 1.02 2.47 0.62 1.50 0.00 -0.83 -2.81 121.76 123.73 3kvk s ALA 95 Ca 0.22 0.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 3kvk s ALA 95 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3kvk s ALA 95 CO 0.09 -1.45 1.08 0.00 0.00 0.00 0.00 175.76 175.47 3kvk n ALA 96 N -3.17 0.51 0.00 0.00 0.00 -1.25 -3.78 120.51 112.82 3kvk n ALA 96 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3kvk n ALA 96 Cb 0.53 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3kvk n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvk n GLY 97 N 1.16 2.13 0.08 0.00 0.00 0.19 -4.92 105.19 103.83 3kvk n GLY 97 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3kvk n GLY 97 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kvk h PHE 98 N 0.00 0.00 -3.51 1.61 3.57 -1.79 -3.40 116.94 113.41 3kvk h PHE 98 Ca 0.00 0.00 -0.79 0.00 3.53 0.00 0.00 57.97 60.71 3kvk h PHE 98 Cb 0.00 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 38.45 3kvk h PHE 98 CO 0.00 0.59 0.43 -3.47 -2.23 0.00 0.00 178.31 173.63 3kvk n ASP 99 N -4.60 5.46 0.17 0.41 2.03 -1.26 -4.88 116.55 113.88 3kvk n ASP 99 Ca -0.13 -3.06 0.02 0.00 0.52 0.00 0.00 54.79 52.13 3kvk n ASP 99 Cb 0.36 -1.35 0.34 0.00 -0.72 0.00 0.00 41.12 39.75 3kvk n ASP 99 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3kvk h LYS 100 N 6.54 0.04 -0.18 -0.67 1.57 -1.78 -2.45 116.57 119.63 3kvk h LYS 100 Ca 0.18 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3kvk h LYS 100 Cb 0.85 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3kvk h LYS 100 CO 1.02 0.41 0.00 0.72 -0.57 0.00 0.00 179.45 181.03 3kvk n HIS 101 N -4.09 0.24 -2.29 -1.35 8.25 -1.26 -2.75 115.22 111.97 3kvk n HIS 101 Ca -0.02 -0.40 -0.03 0.00 -0.26 0.00 0.00 57.72 57.02 3kvk n HIS 101 Cb 0.41 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.50 3kvk n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kvk n GLY 102 N 0.21 0.48 0.01 -1.41 0.00 -1.24 -4.69 105.19 98.56 3kvk n GLY 102 Ca 0.07 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.50 3kvk n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kvk n GLU 103 N -1.15 0.31 -0.31 1.61 1.02 -1.26 -4.55 120.64 116.31 3kvk n GLU 103 Ca -0.02 -0.08 0.03 0.00 -0.02 0.00 0.00 57.16 57.08 3kvk n GLU 103 Cb 0.52 -1.53 0.05 0.00 -0.02 0.00 0.00 31.44 30.46 3kvk n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kvk n ALA 104 N -1.86 2.03 -0.14 0.62 0.00 -1.26 -4.60 120.51 115.29 3kvk n ALA 104 Ca 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 53.44 51.87 3kvk n ALA 104 Cb 0.44 -0.41 0.05 0.00 0.00 0.00 0.00 19.45 19.53 3kvk n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kvk h VAL 105 N 4.11 0.85 -0.31 0.00 2.07 -1.95 -1.06 116.25 119.96 3kvk h VAL 105 Ca 0.00 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 3kvk h VAL 105 Cb 1.21 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3kvk h VAL 105 CO 0.00 0.06 -0.40 0.44 0.02 0.00 0.00 177.57 177.69 3kvk h ASP 106 N 0.33 0.79 0.19 0.57 5.19 -1.93 -2.21 116.42 119.34 3kvk h ASP 106 Ca 0.22 -0.36 -0.04 0.00 -0.62 0.00 0.00 57.03 56.23 3kvk h ASP 106 Cb 0.22 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3kvk h ASP 106 CO -0.23 1.09 -0.20 1.23 -3.12 0.00 0.00 179.24 178.02 3kvk h GLY 107 N 0.93 0.01 1.17 2.75 0.00 -1.59 -1.62 103.07 104.72 3kvk h GLY 107 Ca 0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 47.33 47.16 3kvk h GLY 107 CO 0.09 0.01 -0.71 1.41 0.00 0.00 0.00 176.54 177.34 3kvk h LEU 108 N 0.01 0.96 -0.87 3.11 3.38 -0.74 -1.89 115.31 119.27 3kvk h LEU 108 Ca -0.00 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3kvk h LEU 108 Cb 0.35 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3kvk h LEU 108 CO 0.03 1.40 0.47 1.88 0.09 0.00 0.00 178.44 182.30 3kvk h TYR 109 N 0.59 1.20 -0.08 1.13 0.99 -1.17 -2.20 116.97 117.43 3kvk h TYR 109 Ca -0.03 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 3kvk h TYR 109 Cb 1.33 -0.38 -0.00 0.00 1.00 0.00 0.00 36.73 38.67 3kvk h TYR 109 CO 0.08 0.84 0.04 -0.22 -0.00 0.00 0.00 178.16 178.90 3kvk h LYS 110 N 1.22 0.11 0.00 4.88 3.64 -1.12 -0.68 116.57 124.61 3kvk h LYS 110 Ca 0.31 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3kvk h LYS 110 Cb 0.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3kvk h LYS 110 CO -0.05 0.08 0.00 1.98 -2.27 0.00 0.00 179.45 179.20 3kvk h MET 111 N 0.11 0.00 0.00 1.90 4.05 -0.69 -0.90 114.93 119.40 3kvk h MET 111 Ca 0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3kvk h MET 111 Cb 0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3kvk h MET 111 CO -0.00 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.55 3kvk n GLY 112 N 0.27 0.98 3.77 1.39 0.00 -0.26 -4.38 105.19 106.96 3kvk n GLY 112 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3kvk n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kvk s PHE 113 N -2.00 2.93 -0.72 1.61 0.40 -1.21 -4.92 117.98 114.08 3kvk s PHE 113 Ca 0.00 1.29 0.26 0.00 -0.60 0.00 0.00 56.93 57.88 3kvk s PHE 113 Cb 0.00 -3.79 0.72 0.00 0.51 0.00 0.00 43.02 40.46 3kvk s PHE 113 CO 0.00 -2.26 1.68 0.41 0.70 0.00 0.00 175.22 175.75 3kvk n GLY 114 N 0.93 -1.65 3.42 4.36 0.00 0.52 -4.66 105.19 108.11 3kvk n GLY 114 Ca 0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3kvk n GLY 114 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kvk s PHE 115 N -3.11 -0.53 -0.05 1.61 -0.12 -1.25 -3.88 117.98 110.64 3kvk s PHE 115 Ca 0.10 0.35 0.04 0.00 -0.05 0.00 0.00 56.93 57.36 3kvk s PHE 115 Cb 0.13 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 43.06 3kvk s PHE 115 CO 0.62 -0.83 -0.16 0.08 -0.05 0.00 0.00 175.22 174.88 3kvk s VAL 116 N -3.63 1.34 -0.17 -2.49 1.01 -1.04 -2.50 120.40 112.92 3kvk s VAL 116 Ca 0.01 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3kvk s VAL 116 Cb -0.01 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.21 3kvk s VAL 116 CO -0.12 0.39 -0.18 -0.70 0.00 0.00 0.00 175.10 174.50 3kvk s GLU 117 N 0.16 3.10 0.31 2.72 2.12 -1.12 0.21 118.70 126.20 3kvk s GLU 117 Ca -0.06 -0.79 0.07 0.00 0.36 0.00 0.00 54.97 54.54 3kvk s GLU 117 Cb -0.12 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 3kvk s GLU 117 CO 0.02 -0.09 0.37 0.96 -0.54 0.00 0.00 175.26 175.99 3kvk s ILE 118 N 1.04 4.14 0.00 -3.70 -4.36 -0.48 -3.91 121.20 113.92 3kvk s ILE 118 Ca -0.01 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 3kvk s ILE 118 Cb -0.14 -3.41 0.00 0.00 1.25 0.00 0.00 42.46 40.15 3kvk s ILE 118 CO -0.05 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 175.53 3kvk n GLY 119 N -1.48 -0.73 3.77 6.27 0.00 -0.92 -0.49 105.19 111.61 3kvk n GLY 119 Ca -0.03 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 3kvk n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kvk s SER 120 N -2.47 6.91 -0.14 1.61 0.01 -1.26 -0.64 113.70 117.72 3kvk s SER 120 Ca 0.00 2.26 -0.03 0.00 1.31 0.00 0.00 55.95 59.49 3kvk s SER 120 Cb 0.00 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 3kvk s SER 120 CO 0.00 -0.40 -0.03 -0.69 0.41 0.00 0.00 173.24 172.53 3kvk s VAL 121 N -1.35 3.96 0.23 3.43 1.01 -0.28 -4.79 120.40 122.61 3kvk s VAL 121 Ca 0.51 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3kvk s VAL 121 Cb -0.30 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3kvk s VAL 121 CO 0.38 0.52 0.33 0.42 0.00 0.00 0.00 175.10 176.75 3kvk s THR 122 N 0.09 5.19 0.09 3.92 -4.23 -1.26 -0.07 115.64 119.37 3kvk s THR 122 Ca -0.00 -0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 59.23 3kvk s THR 122 Cb -0.13 -3.79 -0.14 0.00 1.34 0.00 0.00 72.50 69.78 3kvk s THR 122 CO 0.03 -0.29 1.62 -0.65 -0.54 0.00 0.00 174.62 174.79 3kvk h PRO 123 N 1.37 -0.67 -6.19 3.99 0.11 -1.87 -1.59 132.00 127.15 3kvk h PRO 123 Ca -0.51 0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 3kvk h PRO 123 Cb 1.22 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.47 3kvk h PRO 123 CO 0.62 -0.45 -0.37 0.15 -0.21 0.00 0.00 178.00 177.74 3kvk s LYS 124 N -6.03 3.48 0.38 1.05 -0.14 -1.26 -1.85 119.74 115.37 3kvk s LYS 124 Ca -0.17 -0.46 -0.27 0.00 -1.36 0.00 0.00 55.97 53.71 3kvk s LYS 124 Cb 0.06 -2.87 -0.11 0.00 -1.68 0.00 0.00 37.83 33.23 3kvk s LYS 124 CO 0.63 0.42 1.33 -2.30 -0.76 0.00 0.00 175.35 174.67 3kvk n PRO 125 N -0.80 2.18 -3.67 -1.68 -0.02 -1.26 -4.38 135.00 125.37 3kvk n PRO 125 Ca -0.06 0.77 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 3kvk n PRO 125 Cb 0.54 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 3kvk n PRO 125 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3kvk s GLN 126 N -2.04 0.96 0.23 -0.52 -2.07 -0.55 -4.94 119.66 110.72 3kvk s GLN 126 Ca 0.57 -0.52 0.19 0.00 -1.82 0.00 0.00 55.36 53.78 3kvk s GLN 126 Cb -0.53 0.42 0.04 0.00 -1.09 0.00 0.00 33.01 31.86 3kvk s GLN 126 CO 0.61 -0.34 1.20 0.93 -1.32 0.00 0.00 175.29 176.37 3kvk h GLU 127 N 2.80 0.00 0.00 9.60 5.08 -1.86 -0.68 114.58 129.53 3kvk h GLU 127 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3kvk h GLU 127 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3kvk h GLU 127 CO 0.45 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 179.10 3kvk n GLY 128 N 1.24 -1.97 3.81 -3.84 0.00 -1.26 -4.48 105.19 98.69 3kvk n GLY 128 Ca -0.01 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 3kvk n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kvk s ASN 129 N -4.00 5.50 0.70 1.61 0.01 0.56 -4.96 114.94 114.35 3kvk s ASN 129 Ca 0.00 1.70 -0.16 0.00 -0.71 0.00 0.00 52.86 53.69 3kvk s ASN 129 Cb 0.00 -2.51 0.02 0.00 0.41 0.00 0.00 41.25 39.17 3kvk s ASN 129 CO 0.00 -1.36 1.22 -2.16 -1.51 0.00 0.00 177.10 173.29 3kvk s PRO 130 N -4.66 2.34 0.42 -0.60 0.04 -1.26 -4.94 135.00 126.34 3kvk s PRO 130 Ca 0.60 1.80 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 3kvk s PRO 130 Cb -0.15 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 3kvk s PRO 130 CO 0.48 -1.69 0.78 1.03 0.04 0.00 0.00 177.00 177.64 3kvk s ARG 131 N -3.76 3.77 0.44 4.56 0.52 -1.26 -4.17 118.95 119.05 3kvk s ARG 131 Ca 0.76 0.48 -0.22 0.00 -0.52 0.00 0.00 55.73 56.22 3kvk s ARG 131 Cb -0.30 -2.38 -0.09 0.00 0.52 0.00 0.00 34.95 32.70 3kvk s ARG 131 CO 0.43 -0.06 1.04 -1.25 0.02 0.00 0.00 175.30 175.47 3kvk s PRO 132 N -3.92 4.01 0.00 3.54 0.04 -1.26 -5.14 135.00 132.27 3kvk s PRO 132 Ca 0.51 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3kvk s PRO 132 Cb -0.10 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3kvk s PRO 132 CO 0.32 -0.26 0.46 2.89 0.04 0.00 0.00 177.00 180.45 3kvk n ARG 133 N -0.51 0.00 -4.04 4.56 1.85 -1.26 -5.01 116.66 112.25 3kvk n ARG 133 Ca 0.07 -0.46 -0.16 0.00 -1.00 0.00 0.00 57.85 56.30 3kvk n ARG 133 Cb 0.51 -0.49 -0.15 0.00 -1.05 0.00 0.00 32.46 31.29 3kvk n ARG 133 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3kvk s VAL 134 N 0.00 0.28 -0.01 8.89 1.01 -1.26 -0.32 120.40 129.00 3kvk s VAL 134 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3kvk s VAL 134 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.09 3kvk s VAL 134 CO 0.00 0.12 -0.02 -0.36 0.00 0.00 0.00 175.10 174.83 3kvk s PHE 135 N 0.35 0.25 -0.09 5.22 0.40 0.11 -4.65 117.98 119.58 3kvk s PHE 135 Ca -0.04 -0.04 -0.14 0.00 -0.60 0.00 0.00 56.93 56.11 3kvk s PHE 135 Cb -0.07 -0.19 -0.05 0.00 0.51 0.00 0.00 43.02 43.23 3kvk s PHE 135 CO -0.01 -0.02 0.35 1.03 0.70 0.00 0.00 175.22 177.28 3kvk s ARG 136 N 0.08 4.05 -0.68 0.44 0.52 -1.26 -0.94 118.95 121.16 3kvk s ARG 136 Ca -0.00 0.26 0.05 0.00 -0.52 0.00 0.00 55.73 55.51 3kvk s ARG 136 Cb -0.03 -3.32 0.17 0.00 0.52 0.00 0.00 34.95 32.29 3kvk s ARG 136 CO -0.00 0.46 0.47 -0.51 0.02 0.00 0.00 175.30 175.74 3kvk s LEU 137 N -0.27 4.68 0.26 2.53 1.02 -0.08 -4.74 118.68 122.08 3kvk s LEU 137 Ca 0.21 -3.77 -0.05 0.00 0.02 0.00 0.00 54.13 50.55 3kvk s LEU 137 Cb -0.15 -1.60 0.32 0.00 0.02 0.00 0.00 46.19 44.78 3kvk s LEU 137 CO 0.09 -0.10 1.93 -0.65 0.02 0.00 0.00 176.35 177.63 3kvk h PRO 138 N 5.49 1.26 0.00 1.29 0.11 -1.97 -1.30 132.00 136.88 3kvk h PRO 138 Ca 0.13 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3kvk h PRO 138 Cb 0.77 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3kvk h PRO 138 CO 0.70 0.83 0.00 0.93 -0.21 0.00 0.00 178.00 180.26 3kvk h GLU 139 N 1.30 0.00 -0.01 1.05 3.07 -1.93 -2.52 114.58 115.53 3kvk h GLU 139 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3kvk h GLU 139 Cb -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 3kvk h GLU 139 CO -0.10 0.00 -0.03 -0.25 -1.40 0.00 0.00 179.01 177.23 3kvk n ASP 140 N -3.07 1.82 -3.97 1.42 8.00 -0.56 -4.86 116.55 115.32 3kvk n ASP 140 Ca -0.01 -1.41 -0.28 0.00 0.71 0.00 0.00 54.79 53.80 3kvk n ASP 140 Cb 0.20 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 3kvk n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kvk n GLN 141 N 0.50 -2.53 -4.16 -1.24 6.02 -0.76 -4.27 117.38 110.95 3kvk n GLN 141 Ca 0.06 0.35 -0.10 0.00 -0.01 0.00 0.00 57.00 57.30 3kvk n GLN 141 Cb 0.27 -4.23 -0.10 0.00 1.02 0.00 0.00 30.24 27.20 3kvk n GLN 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kvk s ALA 142 N -3.93 0.92 0.07 -1.58 0.00 -0.88 -1.95 121.76 114.40 3kvk s ALA 142 Ca 0.09 -1.34 0.06 0.00 0.00 0.00 0.00 51.96 50.78 3kvk s ALA 142 Cb -0.04 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3kvk s ALA 142 CO 0.90 -0.26 -0.17 0.08 0.00 0.00 0.00 175.76 176.31 3kvk s VAL 143 N -3.68 1.35 -0.10 0.00 1.01 -0.99 -0.90 120.40 117.09 3kvk s VAL 143 Ca 0.12 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 60.85 3kvk s VAL 143 Cb 0.06 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 3kvk s VAL 143 CO -0.05 -0.07 -0.23 -0.63 0.00 0.00 0.00 175.10 174.12 3kvk s ILE 144 N -1.08 2.14 0.02 2.22 1.01 -0.11 -0.86 121.20 124.54 3kvk s ILE 144 Ca 0.02 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3kvk s ILE 144 Cb -0.09 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 3kvk s ILE 144 CO 0.02 0.56 -0.10 0.54 0.00 0.00 0.00 174.94 175.97 3kvk s ASN 145 N 0.28 1.13 -0.40 3.58 2.20 -0.83 0.09 114.94 121.00 3kvk s ASN 145 Ca -0.17 -0.35 0.12 0.00 -0.94 0.00 0.00 52.86 51.52 3kvk s ASN 145 Cb -0.17 -0.07 0.40 0.00 -2.00 0.00 0.00 41.25 39.41 3kvk s ASN 145 CO 0.08 -0.00 0.91 -2.11 -2.94 0.00 0.00 177.10 173.04 3kvk n ARG 146 N 2.20 1.85 -0.21 3.55 1.85 0.57 -1.16 116.66 125.30 3kvk n ARG 146 Ca -0.17 -3.78 0.00 0.00 -1.00 0.00 0.00 57.85 52.90 3kvk n ARG 146 Cb 0.56 -1.73 0.12 0.00 -1.05 0.00 0.00 32.46 30.35 3kvk n ARG 146 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 3kvk h TYR 147 N 2.92 0.44 -0.47 2.89 0.99 -1.95 -3.40 116.97 118.39 3kvk h TYR 147 Ca 0.07 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3kvk h TYR 147 Cb 0.96 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 38.59 3kvk h TYR 147 CO 0.60 0.12 0.00 0.41 -0.00 0.00 0.00 178.16 179.29 3kvk n GLY 148 N -1.30 0.74 3.35 3.88 0.00 -1.26 -0.33 105.19 110.27 3kvk n GLY 148 Ca 0.09 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 3kvk n GLY 148 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kvk n PHE 149 N -3.01 -2.27 -1.82 1.61 0.99 -1.26 -4.28 117.46 107.41 3kvk n PHE 149 Ca 0.00 0.91 -0.42 0.00 -0.00 0.00 0.00 57.45 57.94 3kvk n PHE 149 Cb 0.46 -4.88 -0.03 0.00 -1.00 0.00 0.00 39.48 34.03 3kvk n PHE 149 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3kvk s ASN 150 N -3.98 6.50 -0.16 4.37 4.22 -1.26 -4.45 114.94 120.18 3kvk s ASN 150 Ca 0.17 2.68 -0.14 0.00 -2.14 0.00 0.00 52.86 53.44 3kvk s ASN 150 Cb -0.08 -2.58 0.04 0.00 1.28 0.00 0.00 41.25 39.92 3kvk s ASN 150 CO 0.69 -0.93 0.42 -0.55 -2.04 0.00 0.00 177.10 174.69 3kvk s SER 151 N 1.96 -0.45 0.26 3.54 0.15 -0.26 -4.94 113.70 113.96 3kvk s SER 151 Ca 0.75 0.86 0.24 0.00 0.70 0.00 0.00 55.95 58.50 3kvk s SER 151 Cb -0.45 0.84 0.99 0.00 -1.71 0.00 0.00 66.02 65.70 3kvk s SER 151 CO 0.33 -0.15 1.71 1.41 1.20 0.00 0.00 173.24 177.74 3kvk n HIS 152 N 3.12 0.82 0.00 3.44 8.25 -1.26 -1.48 115.22 128.11 3kvk n HIS 152 Ca -0.15 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3kvk n HIS 152 Cb 0.57 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.65 3kvk n HIS 152 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kvk n GLY 153 N -0.05 -0.21 0.18 -1.41 0.00 -1.26 -4.18 105.19 98.25 3kvk n GLY 153 Ca 0.02 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 3kvk n GLY 153 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kvk h LEU 154 N 0.00 0.39 -0.21 0.99 3.38 -0.52 -2.73 115.31 116.60 3kvk h LEU 154 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kvk h LEU 154 Cb 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3kvk h LEU 154 CO 0.00 0.28 0.14 0.28 0.09 0.00 0.00 178.44 179.23 3kvk h SER 155 N 0.49 0.24 -0.33 -0.43 0.02 -1.86 0.31 113.55 111.99 3kvk h SER 155 Ca 0.17 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3kvk h SER 155 Cb 0.02 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3kvk h SER 155 CO -0.08 0.18 0.17 0.58 -1.14 0.00 0.00 176.83 176.53 3kvk h VAL 156 N 0.29 1.15 -0.58 2.27 2.07 -1.76 -2.29 116.25 117.40 3kvk h VAL 156 Ca 0.08 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 3kvk h VAL 156 Cb -0.03 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3kvk h VAL 156 CO -0.02 0.16 0.04 0.58 0.02 0.00 0.00 177.57 178.35 3kvk h VAL 157 N 0.41 1.26 -0.27 2.57 2.07 -1.16 -1.77 116.25 119.35 3kvk h VAL 157 Ca 0.12 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.63 3kvk h VAL 157 Cb 0.10 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3kvk h VAL 157 CO -0.02 0.39 -0.07 -0.08 0.02 0.00 0.00 177.57 177.81 3kvk h GLU 158 N 0.91 -0.01 -0.22 1.57 4.81 -0.18 -0.65 114.58 120.81 3kvk h GLU 158 Ca 0.17 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 3kvk h GLU 158 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3kvk h GLU 158 CO 0.02 -0.01 -0.36 0.45 -0.73 0.00 0.00 179.01 178.38 3kvk h HIS 159 N -0.01 0.56 -0.55 0.92 3.86 -1.20 -0.33 115.15 118.41 3kvk h HIS 159 Ca 0.13 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3kvk h HIS 159 Cb 0.21 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 3kvk h HIS 159 CO -0.27 0.78 0.31 -0.09 0.86 0.00 0.00 177.93 179.53 3kvk h ARG 160 N 0.41 0.76 -0.07 2.45 2.43 -0.87 -2.13 114.38 117.36 3kvk h ARG 160 Ca 0.04 -0.08 -0.20 0.00 -0.81 0.00 0.00 59.98 58.93 3kvk h ARG 160 Cb 0.82 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3kvk h ARG 160 CO 0.07 0.58 -0.78 -0.07 -1.51 0.00 0.00 179.97 178.25 3kvk h LEU 161 N 0.74 0.53 -1.64 3.80 3.38 -0.87 -3.04 115.31 118.22 3kvk h LEU 161 Ca 0.20 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3kvk h LEU 161 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3kvk h LEU 161 CO -0.03 1.12 0.25 0.03 0.09 0.00 0.00 178.44 179.89 3kvk h ARG 162 N 0.28 0.48 0.00 1.13 3.08 -0.91 -1.15 114.38 117.29 3kvk h ARG 162 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kvk h ARG 162 Cb 1.37 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3kvk h ARG 162 CO 0.14 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 3kvk h ALA 163 N 1.77 1.00 0.00 0.04 0.00 -1.26 -2.74 119.26 118.07 3kvk h ALA 163 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kvk h ALA 163 Cb -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kvk h ALA 163 CO -0.03 0.00 -0.32 2.89 0.00 0.00 0.00 179.25 181.79 3kvk n ARG 164 N -2.86 0.73 -0.34 0.00 1.85 -0.75 -4.88 116.66 110.40 3kvk n ARG 164 Ca -0.00 -2.01 -0.02 0.00 -1.00 0.00 0.00 57.85 54.81 3kvk n ARG 164 Cb 0.20 -1.01 0.10 0.00 -1.05 0.00 0.00 32.46 30.69 3kvk n ARG 164 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 3kvk h GLN 165 N 0.18 1.18 -0.01 2.89 4.15 -0.92 -1.01 115.11 121.58 3kvk h GLN 165 Ca -0.02 -0.07 -0.21 0.00 0.77 0.00 0.00 58.65 59.12 3kvk h GLN 165 Cb 1.22 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.64 3kvk h GLN 165 CO 0.01 0.78 -0.89 1.96 -1.93 0.00 0.00 178.83 178.76 3kvk h GLN 166 N 1.22 0.32 -0.81 1.69 1.08 -1.88 -1.43 115.11 115.30 3kvk h GLN 166 Ca 0.34 -0.34 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3kvk h GLN 166 Cb -0.10 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 3kvk h GLN 166 CO -0.09 1.03 0.44 -0.22 -0.95 0.00 0.00 178.83 179.04 3kvk h LYS 167 N 0.18 1.13 -0.53 1.46 3.64 -1.81 -2.50 116.57 118.14 3kvk h LYS 167 Ca -0.06 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 3kvk h LYS 167 Cb 1.52 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3kvk h LYS 167 CO 0.15 0.83 0.00 0.37 -2.27 0.00 0.00 179.45 178.53 3kvk h GLN 168 N 1.12 0.90 -0.84 1.90 5.75 -0.97 -1.71 115.11 121.27 3kvk h GLN 168 Ca 0.28 -0.26 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3kvk h GLN 168 Cb 0.03 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.44 3kvk h GLN 168 CO -0.05 0.90 0.55 0.00 -2.65 0.00 0.00 178.83 177.58 3kvk h ALA 169 N 1.16 1.48 -0.22 3.38 0.00 -0.87 0.11 119.26 124.30 3kvk h ALA 169 Ca 0.16 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3kvk h ALA 169 Cb 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kvk h ALA 169 CO 0.02 0.44 -0.48 0.87 0.00 0.00 0.00 179.25 180.10 3kvk h LYS 170 N 1.04 0.71 -0.16 0.00 1.57 -1.07 -2.09 116.57 116.57 3kvk h LYS 170 Ca 0.33 -0.47 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3kvk h LYS 170 Cb 0.02 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3kvk h LYS 170 CO -0.10 1.09 0.05 -0.07 -0.57 0.00 0.00 179.45 179.86 3kvk h LEU 171 N 0.42 0.06 -0.26 2.94 3.38 -0.63 0.02 115.31 121.25 3kvk h LEU 171 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3kvk h LEU 171 Cb 1.09 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3kvk h LEU 171 CO 0.11 0.06 0.05 0.74 0.09 0.00 0.00 178.44 179.49 3kvk h THR 172 N 0.13 0.88 -0.28 0.22 2.02 -0.81 0.42 112.91 115.49 3kvk h THR 172 Ca 0.07 -0.05 0.07 0.00 0.77 0.00 0.00 66.41 67.27 3kvk h THR 172 Cb 0.04 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3kvk h THR 172 CO -0.07 0.03 0.20 -0.08 0.37 0.00 0.00 175.52 175.96 3kvk h GLU 173 N 0.15 0.06 -0.00 6.66 4.57 -1.09 0.95 114.58 125.88 3kvk h GLU 173 Ca 0.12 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3kvk h GLU 173 Cb 0.12 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3kvk h GLU 173 CO -0.16 0.04 -0.02 -0.25 -1.18 0.00 0.00 179.01 177.45 3kvk n ASP 174 N -4.47 0.32 0.00 1.04 8.00 -0.03 -4.89 116.55 116.52 3kvk n ASP 174 Ca 0.03 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3kvk n ASP 174 Cb 0.32 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3kvk n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kvk n GLY 175 N 1.10 1.17 2.55 0.44 0.00 0.33 -4.78 105.19 106.01 3kvk n GLY 175 Ca 0.21 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3kvk n GLY 175 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvk n LEU 176 N 0.00 1.99 -4.75 0.99 4.77 -0.06 -0.81 117.00 119.12 3kvk n LEU 176 Ca 0.00 -5.00 -0.30 0.00 -0.03 0.00 0.00 56.01 50.67 3kvk n LEU 176 Cb 0.05 -0.22 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3kvk n LEU 176 CO 0.00 1.91 0.69 -2.84 -1.33 0.00 0.00 177.39 175.81 3kvk s PRO 177 N -1.34 1.85 -0.11 3.23 0.02 -1.25 -3.39 135.00 134.01 3kvk s PRO 177 Ca 0.32 0.97 0.03 0.00 0.02 0.00 0.00 61.00 62.34 3kvk s PRO 177 Cb 0.06 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.72 3kvk s PRO 177 CO -0.13 -1.87 -0.21 -1.17 -0.33 0.00 0.00 177.00 173.29 3kvk s LEU 178 N -6.02 2.00 0.11 -5.54 2.96 -1.26 -2.51 118.68 108.41 3kvk s LEU 178 Ca 0.62 -0.53 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 3kvk s LEU 178 Cb -0.17 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 3kvk s LEU 178 CO 0.56 0.10 0.01 -0.83 -1.32 0.00 0.00 176.35 174.88 3kvk s GLY 179 N 0.59 1.87 -0.11 7.98 0.00 0.13 -0.85 107.32 116.94 3kvk s GLY 179 Ca -0.14 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.43 3kvk s GLY 179 CO 0.04 -1.15 -0.12 0.14 0.00 0.00 0.00 173.10 172.01 3kvk s VAL 180 N -1.41 1.29 -0.25 1.40 1.01 -0.09 -1.38 120.40 120.97 3kvk s VAL 180 Ca 0.26 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3kvk s VAL 180 Cb -0.11 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3kvk s VAL 180 CO 0.19 0.40 0.21 0.21 0.00 0.00 0.00 175.10 176.11 3kvk s ASN 181 N 1.19 6.12 -0.18 3.32 3.84 0.36 -0.66 114.94 128.93 3kvk s ASN 181 Ca -0.04 0.12 -0.08 0.00 0.21 0.00 0.00 52.86 53.08 3kvk s ASN 181 Cb -0.14 -2.13 -0.04 0.00 -0.55 0.00 0.00 41.25 38.39 3kvk s ASN 181 CO -0.04 0.00 0.08 -0.76 -2.79 0.00 0.00 177.10 173.59 3kvk s LEU 182 N 1.37 3.93 0.00 3.21 1.43 0.11 -1.12 118.68 127.60 3kvk s LEU 182 Ca 0.09 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3kvk s LEU 182 Cb -0.15 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.08 3kvk s LEU 182 CO 0.07 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3kvk n GLY 183 N 3.41 4.33 3.02 -3.19 0.00 0.90 -2.78 105.19 110.89 3kvk n GLY 183 Ca -0.17 -2.15 -0.10 0.00 0.00 0.00 0.00 46.02 43.61 3kvk n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kvk s LYS 184 N -1.07 0.42 0.57 1.61 -2.85 -1.26 -4.46 119.74 112.70 3kvk s LYS 184 Ca 0.00 -0.75 -0.19 0.00 -1.00 0.00 0.00 55.97 54.04 3kvk s LYS 184 Cb 0.00 -0.00 -0.04 0.00 -2.06 0.00 0.00 37.83 35.72 3kvk s LYS 184 CO 0.00 -0.03 1.14 -0.80 0.10 0.00 0.00 175.35 175.77 3kvk s ASN 185 N -1.72 5.49 0.22 0.03 -0.87 -1.26 -4.93 114.94 111.90 3kvk s ASN 185 Ca -0.11 2.20 -0.08 0.00 -1.57 0.00 0.00 52.86 53.30 3kvk s ASN 185 Cb -0.07 -2.58 0.26 0.00 -0.02 0.00 0.00 41.25 38.84 3kvk s ASN 185 CO -0.02 -1.38 1.84 0.50 -2.57 0.00 0.00 177.10 175.48 3kvk h LYS 186 N 0.93 0.86 -0.21 -0.60 3.64 -1.95 -2.46 116.57 116.78 3kvk h LYS 186 Ca -0.50 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3kvk h LYS 186 Cb 1.27 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3kvk h LYS 186 CO 0.56 0.57 0.00 0.25 -2.27 0.00 0.00 179.45 178.56 3kvk n THR 187 N -4.66 0.26 -1.67 1.00 -2.24 -1.26 -4.96 114.28 100.74 3kvk n THR 187 Ca 0.10 -0.45 -0.45 0.00 -2.27 0.00 0.00 64.05 60.99 3kvk n THR 187 Cb 0.14 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 3kvk n THR 187 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kvk n SER 188 N 0.65 2.81 0.00 3.42 2.88 -0.93 -4.89 113.62 117.57 3kvk n SER 188 Ca 0.17 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.96 3kvk n SER 188 Cb 0.41 -1.44 0.07 0.00 -0.75 0.00 0.00 64.21 62.50 3kvk n SER 188 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3kvk n VAL 189 N 1.89 0.02 -3.43 2.46 0.31 -1.26 -4.73 118.33 113.59 3kvk n VAL 189 Ca 0.11 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 64.20 3kvk n VAL 189 Cb 0.32 0.56 -0.11 0.00 -0.91 0.00 0.00 33.84 33.70 3kvk n VAL 189 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kvk s ASP 190 N -3.12 2.10 0.21 4.52 -1.08 -1.26 -5.03 116.67 113.02 3kvk s ASP 190 Ca 0.09 -1.16 -0.10 0.00 -0.52 0.00 0.00 52.55 50.85 3kvk s ASP 190 Cb 0.16 0.25 0.17 0.00 -1.46 0.00 0.00 42.92 42.04 3kvk s ASP 190 CO 0.78 -0.37 1.88 0.00 0.52 0.00 0.00 175.17 177.98 3kvk h ALA 191 N 7.95 0.97 -0.85 3.66 0.00 -1.99 -2.14 119.26 126.85 3kvk h ALA 191 Ca -0.09 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kvk h ALA 191 Cb 1.05 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3kvk h ALA 191 CO 0.33 0.36 0.56 0.00 0.00 0.00 0.00 179.25 180.50 3kvk h ALA 192 N 1.29 1.39 -0.30 0.00 0.00 -1.95 -2.28 119.26 117.40 3kvk h ALA 192 Ca 0.28 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3kvk h ALA 192 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 3kvk h ALA 192 CO -0.07 0.57 -0.39 1.49 0.00 0.00 0.00 179.25 180.85 3kvk h GLU 193 N 1.16 0.70 -0.12 0.00 4.57 -1.83 -0.47 114.58 118.59 3kvk h GLU 193 Ca 0.31 -0.36 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3kvk h GLU 193 Cb -0.13 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 3kvk h GLU 193 CO -0.07 0.97 -0.11 -0.44 -1.18 0.00 0.00 179.01 178.18 3kvk h ASP 194 N 0.58 -0.34 -0.58 1.04 5.19 -1.04 -0.75 116.42 120.52 3kvk h ASP 194 Ca 0.05 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3kvk h ASP 194 Cb 0.92 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 3kvk h ASP 194 CO 0.08 -0.14 0.15 1.88 -3.12 0.00 0.00 179.24 178.08 3kvk h TYR 195 N -0.12 1.01 -0.88 4.55 -1.99 -1.29 -2.12 116.97 116.13 3kvk h TYR 195 Ca 0.08 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 3kvk h TYR 195 Cb 0.25 -0.29 -0.04 0.00 2.00 0.00 0.00 36.73 38.64 3kvk h TYR 195 CO -0.23 0.83 0.49 0.00 -0.00 0.00 0.00 178.16 179.26 3kvk h ALA 196 N 1.23 1.22 -0.63 3.88 0.00 -0.75 -0.91 119.26 123.30 3kvk h ALA 196 Ca 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kvk h ALA 196 Cb 0.34 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3kvk h ALA 196 CO 0.00 0.64 0.20 0.93 0.00 0.00 0.00 179.25 181.03 3kvk h GLU 197 N 1.22 0.97 -0.95 0.00 5.08 -0.72 -2.07 114.58 118.11 3kvk h GLU 197 Ca 0.31 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3kvk h GLU 197 Cb 0.01 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 3kvk h GLU 197 CO -0.05 0.85 0.63 0.78 -1.00 0.00 0.00 179.01 180.21 3kvk h GLY 198 N 0.90 1.36 0.95 -3.84 0.00 -0.72 -1.08 103.07 100.64 3kvk h GLY 198 Ca 0.20 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3kvk h GLY 198 CO -0.01 0.45 0.16 -2.08 0.00 0.00 0.00 176.54 175.06 3kvk h VAL 199 N 1.25 1.21 -0.33 4.60 2.07 -0.84 -0.80 116.25 123.40 3kvk h VAL 199 Ca 0.36 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 3kvk h VAL 199 Cb -0.08 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3kvk h VAL 199 CO -0.10 0.23 -0.24 0.03 0.02 0.00 0.00 177.57 177.51 3kvk h ARG 200 N 0.55 0.66 0.06 1.57 3.08 -1.00 -0.91 114.38 118.39 3kvk h ARG 200 Ca 0.14 -0.26 -0.24 0.00 0.07 0.00 0.00 59.98 59.69 3kvk h ARG 200 Cb 0.21 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3kvk h ARG 200 CO -0.01 0.84 -1.28 0.28 -1.07 0.00 0.00 179.97 178.74 3kvk h VAL 201 N 0.57 1.01 0.00 2.04 2.07 -1.14 -3.41 116.25 117.39 3kvk h VAL 201 Ca 0.08 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3kvk h VAL 201 Cb 0.72 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 3kvk h VAL 201 CO 0.06 0.56 -1.40 0.18 0.02 0.00 0.00 177.57 176.98 3kvk n LEU 202 N -4.15 0.39 -0.32 2.57 4.77 -0.31 -4.46 117.00 115.49 3kvk n LEU 202 Ca -0.27 -0.23 0.04 0.00 -0.03 0.00 0.00 56.01 55.52 3kvk n LEU 202 Cb 0.79 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 42.07 3kvk n LEU 202 CO 0.31 0.10 1.18 1.23 -1.33 0.00 0.00 177.39 178.88 3kvk h GLY 203 N 3.81 1.41 2.00 -0.72 0.00 -1.11 -0.41 103.07 108.04 3kvk h GLY 203 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3kvk h GLY 203 CO 0.00 0.15 0.00 -1.05 0.00 0.00 0.00 176.54 175.64 3kvk n PRO 204 N -4.69 0.16 0.00 4.80 -0.02 -1.25 -2.58 135.00 131.42 3kvk n PRO 204 Ca 0.15 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 62.28 3kvk n PRO 204 Cb 0.30 -1.95 0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3kvk n PRO 204 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kvk n LEU 205 N -2.28 1.92 -4.46 2.45 4.77 -0.19 -4.83 117.00 114.38 3kvk n LEU 205 Ca -0.00 -0.90 -0.30 0.00 -0.03 0.00 0.00 56.01 54.78 3kvk n LEU 205 Cb 0.10 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 3kvk n LEU 205 CO 0.13 0.36 -0.51 0.00 -1.33 0.00 0.00 177.39 176.04 3kvk s ALA 206 N -1.44 2.61 0.07 -1.18 0.00 -1.04 -5.01 121.76 115.76 3kvk s ALA 206 Ca 0.15 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 3kvk s ALA 206 Cb 0.12 -0.61 -0.28 0.00 0.00 0.00 0.00 23.12 22.34 3kvk s ALA 206 CO 0.26 0.58 1.13 -0.44 0.00 0.00 0.00 175.76 177.29 3kvk h ASP 207 N 3.92 0.48 -5.04 0.00 3.32 -1.30 -3.39 116.42 114.42 3kvk h ASP 207 Ca -0.50 -0.51 -0.15 0.00 0.02 0.00 0.00 57.03 55.90 3kvk h ASP 207 Cb 1.17 -0.16 -0.19 0.00 0.22 0.00 0.00 39.33 40.37 3kvk h ASP 207 CO 0.45 1.39 -0.62 -0.72 -1.72 0.00 0.00 179.24 178.03 3kvk s TYR 208 N -2.68 0.24 0.06 4.55 1.13 -1.11 -2.32 117.35 117.22 3kvk s TYR 208 Ca -0.05 -0.52 0.05 0.00 -1.41 0.00 0.00 57.07 55.14 3kvk s TYR 208 Cb 0.07 -0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.71 3kvk s TYR 208 CO 0.89 -0.27 -0.07 -0.51 -2.51 0.00 0.00 175.55 173.08 3kvk s LEU 209 N -1.79 3.15 -0.15 -3.49 1.43 0.77 -0.91 118.68 117.70 3kvk s LEU 209 Ca -0.10 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3kvk s LEU 209 Cb -0.05 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3kvk s LEU 209 CO -0.02 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 175.90 3kvk s VAL 210 N -1.13 1.91 -0.54 -1.59 1.01 0.17 -0.47 120.40 119.76 3kvk s VAL 210 Ca 0.20 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 3kvk s VAL 210 Cb -0.11 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.59 3kvk s VAL 210 CO 0.12 0.52 0.89 -0.69 0.00 0.00 0.00 175.10 175.94 3kvk s VAL 211 N 1.11 4.47 -0.54 2.92 1.01 0.15 -0.71 120.40 128.80 3kvk s VAL 211 Ca -0.01 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 3kvk s VAL 211 Cb -0.14 -4.50 0.04 0.00 0.00 0.00 0.00 36.38 31.79 3kvk s VAL 211 CO -0.07 -1.05 0.87 0.21 0.00 0.00 0.00 175.10 175.06 3kvk s ASN 212 N 2.78 6.32 -0.13 3.32 2.47 -1.12 -2.45 114.94 126.13 3kvk s ASN 212 Ca 0.29 -0.46 0.19 0.00 0.42 0.00 0.00 52.86 53.29 3kvk s ASN 212 Cb -0.13 -2.40 0.29 0.00 -1.45 0.00 0.00 41.25 37.55 3kvk s ASN 212 CO 0.19 -1.15 1.15 0.55 -3.72 0.00 0.00 177.10 174.12 3kvk n VAL 213 N 6.07 1.86 -0.80 -5.21 3.14 -1.21 -4.66 118.33 117.52 3kvk n VAL 213 Ca 0.00 -2.24 0.00 0.00 -2.96 0.00 0.00 64.34 59.14 3kvk n VAL 213 Cb 0.47 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 3kvk n VAL 213 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3kvk n SER 214 N -1.42 0.38 -4.71 6.55 3.41 -1.25 -4.00 113.62 112.58 3kvk n SER 214 Ca 0.16 -1.18 -0.42 0.00 -0.26 0.00 0.00 58.87 57.17 3kvk n SER 214 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 3kvk n SER 214 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kvk s SER 215 N -0.18 6.70 0.00 4.04 0.15 -1.26 -4.59 113.70 118.55 3kvk s SER 215 Ca 0.00 2.47 0.21 0.00 0.70 0.00 0.00 55.95 59.32 3kvk s SER 215 Cb 0.00 -2.59 1.05 0.00 -1.71 0.00 0.00 66.02 62.77 3kvk s SER 215 CO 0.00 -0.76 1.66 -0.81 1.20 0.00 0.00 173.24 174.53 3kvk n PRO 216 N 4.18 0.30 -0.07 5.44 -0.04 -1.26 -4.01 135.00 139.54 3kvk n PRO 216 Ca 0.13 0.09 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 3kvk n PRO 216 Cb 0.40 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.42 3kvk n PRO 216 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kvk n ASN 217 N -1.28 2.33 -4.06 3.54 3.02 -1.26 -4.90 115.26 112.65 3kvk n ASN 217 Ca 0.10 -2.12 -0.28 0.00 -0.03 0.00 0.00 54.58 52.26 3kvk n ASN 217 Cb 0.16 -0.11 -0.17 0.00 -0.61 0.00 0.00 39.78 39.06 3kvk n ASN 217 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kvk s THR 218 N -1.20 1.43 0.09 3.41 2.01 -1.26 -4.54 115.64 115.59 3kvk s THR 218 Ca 0.10 -0.62 -0.31 0.00 0.31 0.00 0.00 61.69 61.16 3kvk s THR 218 Cb 0.06 -1.30 -0.11 0.00 0.01 0.00 0.00 72.50 71.17 3kvk s THR 218 CO 0.05 0.42 1.85 0.00 -0.69 0.00 0.00 174.62 176.25 3kvk n ALA 219 N 4.03 1.94 0.00 7.40 0.00 -1.26 -2.14 120.51 130.48 3kvk n ALA 219 Ca -0.20 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kvk n ALA 219 Cb 0.52 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.38 3kvk n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvk n GLY 220 N 4.26 2.31 0.23 0.00 0.00 -1.26 -4.91 105.19 105.81 3kvk n GLY 220 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 3kvk n GLY 220 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kvk h LEU 221 N 0.00 0.65 -1.65 0.99 5.85 -1.74 -2.81 115.31 116.60 3kvk h LEU 221 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3kvk h LEU 221 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 3kvk h LEU 221 CO 0.00 0.48 -0.09 0.03 -0.34 0.00 0.00 178.44 178.51 3kvk h ARG 222 N 0.76 0.00 0.00 1.25 3.08 -1.78 -1.46 114.38 116.24 3kvk h ARG 222 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kvk h ARG 222 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3kvk h ARG 222 CO -0.04 0.09 0.00 -1.13 -1.07 0.00 0.00 179.97 177.82 3kvk n SER 223 N -3.31 0.00 0.00 7.04 3.41 -1.06 -1.51 113.62 118.19 3kvk n SER 223 Ca -0.01 0.03 0.05 0.00 -0.26 0.00 0.00 58.87 58.68 3kvk n SER 223 Cb 0.30 -0.33 0.29 0.00 -0.26 0.00 0.00 64.21 64.21 3kvk n SER 223 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kvk n LEU 224 N -1.33 0.00 0.02 1.04 4.77 -0.55 -2.39 117.00 118.57 3kvk n LEU 224 Ca 0.11 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 3kvk n LEU 224 Cb 0.23 -0.12 0.24 0.00 -2.33 0.00 0.00 43.42 41.43 3kvk n LEU 224 CO 0.21 -0.08 0.43 0.00 -1.33 0.00 0.00 177.39 176.61 3kvk n GLN 225 N -1.12 0.11 -1.24 3.23 6.02 -0.57 -4.00 117.38 119.81 3kvk n GLN 225 Ca 0.07 0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.78 3kvk n GLN 225 Cb 0.06 -1.57 0.12 0.00 1.02 0.00 0.00 30.24 29.87 3kvk n GLN 225 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3kvk s GLY 226 N -3.25 1.63 0.00 1.08 0.00 -1.00 -4.74 107.32 101.04 3kvk s GLY 226 Ca 0.09 0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.69 3kvk s GLY 226 CO 0.70 0.46 0.87 1.70 0.00 0.00 0.00 173.10 176.83 3kvk h LYS 227 N -1.42 -0.45 -0.82 2.90 3.64 -1.90 -1.38 116.57 117.14 3kvk h LYS 227 Ca -0.48 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 3kvk h LYS 227 Cb 1.27 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.15 3kvk h LYS 227 CO 0.54 -0.30 0.54 0.00 -2.27 0.00 0.00 179.45 177.96 3kvk h ALA 228 N -1.62 1.46 0.00 5.00 0.00 -1.98 0.49 119.26 122.61 3kvk h ALA 228 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kvk h ALA 228 Cb 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kvk h ALA 228 CO 0.08 0.48 -0.90 -0.85 0.00 0.00 0.00 179.25 178.06 3kvk n GLU 229 N -4.43 0.30 -0.03 0.00 0.28 -1.25 -2.22 120.64 113.28 3kvk n GLU 229 Ca 0.10 0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.98 3kvk n GLU 229 Cb 0.07 -1.63 -0.03 0.00 1.43 0.00 0.00 31.44 31.28 3kvk n GLU 229 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3kvk h LEU 230 N 0.00 0.86 -0.46 -1.84 5.85 -0.31 -0.86 115.31 118.55 3kvk h LEU 230 Ca 0.00 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.14 3kvk h LEU 230 Cb 0.74 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3kvk h LEU 230 CO 0.00 1.28 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.27 3kvk h ARG 231 N 0.55 0.82 -0.15 1.25 2.43 -0.92 0.68 114.38 119.04 3kvk h ARG 231 Ca -0.01 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3kvk h ARG 231 Cb 1.24 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3kvk h ARG 231 CO 0.13 0.89 0.06 -0.09 -1.51 0.00 0.00 179.97 179.44 3kvk h ARG 232 N 0.67 0.23 -0.00 0.20 2.43 -1.48 -0.60 114.38 115.82 3kvk h ARG 232 Ca 0.13 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3kvk h ARG 232 Cb 0.53 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3kvk h ARG 232 CO 0.03 0.33 -0.08 1.25 -1.51 0.00 0.00 179.97 179.98 3kvk h LEU 233 N 0.08 -0.23 -0.51 3.80 5.85 -1.00 -2.61 115.31 120.68 3kvk h LEU 233 Ca 0.05 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 3kvk h LEU 233 Cb 0.19 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3kvk h LEU 233 CO -0.00 -0.12 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.22 3kvk h LEU 234 N -0.14 0.00 -0.44 2.25 3.38 -0.84 -1.93 115.31 117.59 3kvk h LEU 234 Ca 0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3kvk h LEU 234 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3kvk h LEU 234 CO -0.09 0.69 0.25 0.74 0.09 0.00 0.00 178.44 180.13 3kvk h THR 235 N 0.00 1.04 -0.39 0.22 2.02 -1.03 -0.03 112.91 114.74 3kvk h THR 235 Ca -0.01 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 3kvk h THR 235 Cb 1.29 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3kvk h THR 235 CO 0.09 0.09 -0.08 0.50 0.37 0.00 0.00 175.52 176.49 3kvk h LYS 236 N 0.51 0.74 -0.07 6.66 3.64 -1.21 -1.70 116.57 125.14 3kvk h LYS 236 Ca 0.18 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3kvk h LYS 236 Cb 0.02 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3kvk h LYS 236 CO -0.08 0.87 -0.06 0.28 -2.27 0.00 0.00 179.45 178.19 3kvk h VAL 237 N 0.55 0.82 -0.23 2.00 2.07 -1.20 -1.74 116.25 118.52 3kvk h VAL 237 Ca 0.10 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 3kvk h VAL 237 Cb 0.59 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kvk h VAL 237 CO 0.04 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.49 3kvk h LEU 238 N -0.08 0.33 -0.37 2.57 3.38 -0.92 -1.20 115.31 119.02 3kvk h LEU 238 Ca 0.05 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3kvk h LEU 238 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kvk h LEU 238 CO -0.12 0.44 -0.28 -0.61 0.09 0.00 0.00 178.44 177.96 3kvk h GLN 239 N 0.34 0.85 -0.81 1.13 4.15 -1.03 -0.31 115.11 119.43 3kvk h GLN 239 Ca 0.07 -0.41 -0.04 0.00 0.77 0.00 0.00 58.65 59.04 3kvk h GLN 239 Cb 0.33 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 3kvk h GLN 239 CO 0.01 1.05 0.34 0.93 -1.93 0.00 0.00 178.83 179.24 3kvk h GLU 240 N 0.65 1.19 -0.42 1.69 4.39 -0.91 -2.23 114.58 118.94 3kvk h GLU 240 Ca 0.07 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 3kvk h GLU 240 Cb 0.85 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 3kvk h GLU 240 CO 0.07 0.95 0.15 -0.09 -1.16 0.00 0.00 179.01 178.93 3kvk h ARG 241 N 1.16 0.65 0.00 2.33 1.12 -1.00 -2.63 114.38 116.01 3kvk h ARG 241 Ca 0.27 -0.13 -0.01 0.00 -1.11 0.00 0.00 59.98 59.00 3kvk h ARG 241 Cb 0.19 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.05 3kvk h ARG 241 CO -0.03 0.62 -0.04 -0.44 -3.11 0.00 0.00 179.97 176.97 3kvk h ASP 242 N 0.54 0.00 0.34 -3.80 3.32 -0.82 -1.65 116.42 114.35 3kvk h ASP 242 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kvk h ASP 242 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kvk h ASP 242 CO -0.01 0.04 -0.00 0.61 -1.72 0.00 0.00 179.24 178.16 3kvk n GLY 243 N -0.26 -1.16 3.83 2.75 0.00 -0.86 -4.83 105.19 104.67 3kvk n GLY 243 Ca -0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3kvk n GLY 243 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvk s LEU 244 N -2.34 4.04 0.52 0.99 1.43 -0.62 -5.03 118.68 117.67 3kvk s LEU 244 Ca 0.36 1.46 -0.22 0.00 -1.03 0.00 0.00 54.13 54.70 3kvk s LEU 244 Cb 0.21 -4.23 -0.06 0.00 0.03 0.00 0.00 46.19 42.15 3kvk s LEU 244 CO 0.43 -0.25 1.33 -0.13 0.23 0.00 0.00 176.35 177.96 3kvk s ARG 245 N -2.97 3.30 0.23 1.70 0.52 -1.26 -4.74 118.95 115.72 3kvk s ARG 245 Ca 0.56 2.18 -0.09 0.00 -0.52 0.00 0.00 55.73 57.87 3kvk s ARG 245 Cb -0.10 -2.33 0.37 0.00 0.52 0.00 0.00 34.95 33.41 3kvk s ARG 245 CO 0.16 -1.05 1.65 -0.09 0.02 0.00 0.00 175.30 176.00 3kvk h ARG 246 N 1.65 0.12 0.00 3.54 2.43 -1.95 0.31 114.38 120.48 3kvk h ARG 246 Ca -0.51 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3kvk h ARG 246 Cb 1.29 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3kvk h ARG 246 CO 0.58 0.08 0.00 1.33 -1.51 0.00 0.00 179.97 180.45 3kvk n VAL 247 N -5.30 0.57 -1.35 0.20 0.24 -1.26 -2.76 118.33 108.67 3kvk n VAL 247 Ca 0.11 0.11 0.01 0.00 -2.04 0.00 0.00 64.34 62.54 3kvk n VAL 247 Cb 0.41 -0.79 0.21 0.00 -1.47 0.00 0.00 33.84 32.20 3kvk n VAL 247 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3kvk n HIS 248 N -1.61 0.81 -3.52 6.34 8.25 0.11 -4.97 115.22 120.62 3kvk n HIS 248 Ca 0.05 -1.39 -0.42 0.00 -0.26 0.00 0.00 57.72 55.70 3kvk n HIS 248 Cb 0.26 -0.39 -0.09 0.00 1.12 0.00 0.00 29.99 30.89 3kvk n HIS 248 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3kvk s ARG 249 N -3.13 2.70 0.59 -0.41 3.52 -1.04 -3.92 118.95 117.26 3kvk s ARG 249 Ca 0.42 -1.53 -0.16 0.00 -0.13 0.00 0.00 55.73 54.34 3kvk s ARG 249 Cb 0.38 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3kvk s ARG 249 CO 0.01 -1.06 1.05 -1.25 -0.81 0.00 0.00 175.30 173.24 3kvk s PRO 250 N 1.48 3.38 0.58 5.12 0.04 -1.26 -5.04 135.00 139.30 3kvk s PRO 250 Ca 0.04 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 3kvk s PRO 250 Cb -0.25 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3kvk s PRO 250 CO 0.03 -0.75 1.17 0.00 0.04 0.00 0.00 177.00 177.48 3kvk s ALA 251 N -2.51 2.58 -0.16 8.56 0.00 -0.98 -4.85 121.76 124.40 3kvk s ALA 251 Ca 0.63 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.50 3kvk s ALA 251 Cb -0.15 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3kvk s ALA 251 CO 0.37 -1.04 -0.19 0.08 0.00 0.00 0.00 175.76 174.98 3kvk s VAL 252 N -1.73 2.31 0.20 0.00 1.01 -1.26 -0.16 120.40 120.77 3kvk s VAL 252 Ca 0.75 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.95 3kvk s VAL 252 Cb -0.27 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3kvk s VAL 252 CO 0.32 0.53 -0.15 -0.76 0.00 0.00 0.00 175.10 175.04 3kvk s LEU 253 N 0.95 2.77 -0.11 3.92 1.02 0.38 -1.64 118.68 125.97 3kvk s LEU 253 Ca -0.03 -0.73 -0.00 0.00 0.02 0.00 0.00 54.13 53.39 3kvk s LEU 253 Cb -0.15 -1.44 -0.02 0.00 0.02 0.00 0.00 46.19 44.60 3kvk s LEU 253 CO -0.04 0.09 -0.10 -0.69 0.02 0.00 0.00 176.35 175.64 3kvk s VAL 254 N -1.83 3.39 -0.20 -1.59 1.01 -0.76 -0.67 120.40 119.75 3kvk s VAL 254 Ca 0.25 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 3kvk s VAL 254 Cb -0.08 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3kvk s VAL 254 CO 0.14 0.54 0.02 -0.75 0.00 0.00 0.00 175.10 175.05 3kvk s LYS 255 N -0.04 3.72 0.28 2.72 2.20 -1.02 0.04 119.74 127.63 3kvk s LYS 255 Ca -0.01 -0.47 0.11 0.00 -0.36 0.00 0.00 55.97 55.24 3kvk s LYS 255 Cb -0.14 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 3kvk s LYS 255 CO 0.03 0.08 -0.14 0.96 -0.36 0.00 0.00 175.35 175.93 3kvk s ILE 256 N 0.83 2.76 0.67 5.43 -4.36 -0.58 -3.31 121.20 122.64 3kvk s ILE 256 Ca 0.01 -2.25 -0.12 0.00 -0.26 0.00 0.00 60.65 58.03 3kvk s ILE 256 Cb -0.14 -2.47 -0.00 0.00 1.25 0.00 0.00 42.46 41.09 3kvk s ILE 256 CO 0.02 -0.39 1.06 0.00 0.24 0.00 0.00 174.94 175.87 3kvk s ALA 257 N -2.46 2.73 -1.66 2.27 0.00 -1.26 -1.10 121.76 120.29 3kvk s ALA 257 Ca 0.31 0.12 0.30 0.00 0.00 0.00 0.00 51.96 52.69 3kvk s ALA 257 Cb -0.05 -3.18 1.63 0.00 0.00 0.00 0.00 23.12 21.52 3kvk s ALA 257 CO 0.17 -1.10 2.08 -0.35 0.00 0.00 0.00 175.76 176.56 3kvk n PRO 258 N -2.90 0.64 -0.69 0.00 -0.04 -1.26 -4.26 135.00 126.49 3kvk n PRO 258 Ca 0.08 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 3kvk n PRO 258 Cb 0.53 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.82 3kvk n PRO 258 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kvk n ASP 259 N -1.17 4.68 -4.82 3.54 8.00 -1.26 -4.98 116.55 120.53 3kvk n ASP 259 Ca 0.18 -3.03 -0.35 0.00 0.71 0.00 0.00 54.79 52.30 3kvk n ASP 259 Cb 0.18 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 40.60 3kvk n ASP 259 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kvk s LEU 260 N -2.84 4.21 0.92 0.64 1.43 -1.26 -5.06 118.68 116.71 3kvk s LEU 260 Ca 0.48 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.99 3kvk s LEU 260 Cb 0.38 -3.96 0.14 0.00 0.03 0.00 0.00 46.19 42.78 3kvk s LEU 260 CO 0.12 -0.11 1.09 0.42 0.23 0.00 0.00 176.35 178.10 3kvk s THR 261 N -1.77 2.51 0.28 5.49 -4.23 -1.26 -4.86 115.64 111.81 3kvk s THR 261 Ca 0.50 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 61.17 3kvk s THR 261 Cb -0.14 -2.67 0.28 0.00 1.34 0.00 0.00 72.50 71.30 3kvk s THR 261 CO 0.19 -0.22 1.88 0.28 -0.54 0.00 0.00 174.62 176.21 3kvk h SER 262 N -1.61 0.99 -0.54 3.99 0.02 -2.00 -2.15 113.55 112.25 3kvk h SER 262 Ca -0.51 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 3kvk h SER 262 Cb 1.30 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 3kvk h SER 262 CO 0.56 0.61 0.20 -0.61 -1.14 0.00 0.00 176.83 176.45 3kvk h GLN 263 N 1.11 0.82 0.00 3.45 5.75 -1.99 -1.27 115.11 122.98 3kvk h GLN 263 Ca 0.44 -0.16 0.01 0.00 -0.15 0.00 0.00 58.65 58.80 3kvk h GLN 263 Cb 0.26 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3kvk h GLN 263 CO -0.19 0.73 -0.07 -0.44 -2.65 0.00 0.00 178.83 176.21 3kvk h ASP 264 N 0.74 -0.19 -0.44 -0.69 3.32 -1.80 -0.66 116.42 116.70 3kvk h ASP 264 Ca 0.18 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kvk h ASP 264 Cb 0.22 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3kvk h ASP 264 CO -0.01 -0.10 0.26 0.11 -1.72 0.00 0.00 179.24 177.77 3kvk h LYS 265 N -0.12 0.60 -0.63 3.56 1.57 -1.26 0.19 116.57 120.48 3kvk h LYS 265 Ca 0.03 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3kvk h LYS 265 Cb 0.15 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3kvk h LYS 265 CO -0.07 0.46 0.33 1.49 -0.57 0.00 0.00 179.45 181.10 3kvk h GLU 266 N 0.58 0.60 -0.40 3.15 4.81 -1.11 -0.21 114.58 121.99 3kvk h GLU 266 Ca 0.16 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 3kvk h GLU 266 Cb 0.02 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3kvk h GLU 266 CO -0.03 0.40 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.99 3kvk h ASP 267 N 0.62 0.89 -0.49 1.04 3.32 -0.36 -2.39 116.42 119.05 3kvk h ASP 267 Ca 0.28 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3kvk h ASP 267 Cb 0.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3kvk h ASP 267 CO -0.19 1.11 0.19 0.40 -1.72 0.00 0.00 179.24 179.03 3kvk h ILE 268 N 0.67 1.22 -0.82 0.35 2.04 -0.27 -1.67 117.51 119.03 3kvk h ILE 268 Ca 0.09 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.31 3kvk h ILE 268 Cb 0.78 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3kvk h ILE 268 CO 0.06 0.25 0.52 0.00 0.00 0.00 0.00 178.15 178.98 3kvk h ALA 269 N 1.04 1.09 0.02 1.87 0.00 -0.99 -0.14 119.26 122.15 3kvk h ALA 269 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kvk h ALA 269 Cb 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kvk h ALA 269 CO -0.01 0.31 -0.01 1.03 0.00 0.00 0.00 179.25 180.56 3kvk h SER 270 N 0.98 -0.03 -0.62 0.00 0.87 -1.11 -2.15 113.55 111.50 3kvk h SER 270 Ca 0.34 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 3kvk h SER 270 Cb 0.07 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3kvk h SER 270 CO -0.13 0.16 0.21 0.58 -0.53 0.00 0.00 176.83 177.12 3kvk h VAL 271 N -0.22 1.24 -0.75 2.23 2.07 -1.11 -0.34 116.25 119.37 3kvk h VAL 271 Ca -0.00 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3kvk h VAL 271 Cb 0.21 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3kvk h VAL 271 CO 0.01 0.31 0.47 0.58 0.02 0.00 0.00 177.57 178.95 3kvk h VAL 272 N 0.88 1.10 -0.10 2.57 2.07 -0.97 -0.43 116.25 121.37 3kvk h VAL 272 Ca 0.20 -0.31 -0.19 0.00 0.82 0.00 0.00 66.70 67.22 3kvk h VAL 272 Cb 0.26 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3kvk h VAL 272 CO -0.01 0.17 -0.73 0.11 0.02 0.00 0.00 177.57 177.13 3kvk h LYS 273 N 0.92 0.49 -0.46 1.57 1.57 -1.15 -1.91 116.57 117.61 3kvk h LYS 273 Ca 0.30 -0.40 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3kvk h LYS 273 Cb 0.03 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3kvk h LYS 273 CO -0.12 1.03 0.02 1.49 -0.57 0.00 0.00 179.45 181.30 3kvk h GLU 274 N 0.34 0.79 0.00 3.15 4.81 -0.62 -3.24 114.58 119.81 3kvk h GLU 274 Ca -0.03 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3kvk h GLU 274 Cb 1.31 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3kvk h GLU 274 CO 0.13 0.84 -0.79 1.28 -0.73 0.00 0.00 179.01 179.74 3kvk n LEU 275 N -4.40 0.63 -0.09 1.64 4.77 -0.21 -4.96 117.00 114.37 3kvk n LEU 275 Ca 0.00 -0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kvk n LEU 275 Cb 0.29 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3kvk n LEU 275 CO 0.41 0.06 -0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3kvk n GLY 276 N 1.41 0.46 3.70 -0.72 0.00 -0.81 -5.01 105.19 104.21 3kvk n GLY 276 Ca 0.03 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 3kvk n GLY 276 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kvk n ILE 277 N -3.77 2.11 0.16 -0.61 2.08 -0.78 -4.91 119.36 113.63 3kvk n ILE 277 Ca -0.00 -0.50 0.04 0.00 0.56 0.00 0.00 62.75 62.85 3kvk n ILE 277 Cb 0.50 -1.56 0.08 0.00 -0.75 0.00 0.00 39.64 37.91 3kvk n ILE 277 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3kvk h ASP 278 N 2.44 0.00 -5.81 4.38 3.32 -1.65 -3.47 116.42 115.62 3kvk h ASP 278 Ca -0.46 0.00 0.34 0.00 0.02 0.00 0.00 57.03 56.92 3kvk h ASP 278 Cb 1.29 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.74 3kvk h ASP 278 CO 0.62 0.42 0.87 -0.83 -1.72 0.00 0.00 179.24 178.60 3kvk s GLY 279 N -4.41 -0.27 0.06 2.75 0.00 -1.20 -4.01 107.32 100.23 3kvk s GLY 279 Ca 0.04 0.37 0.07 0.00 0.00 0.00 0.00 44.72 45.20 3kvk s GLY 279 CO 0.73 2.84 -0.20 1.08 0.00 0.00 0.00 173.10 177.54 3kvk s LEU 280 N -3.39 2.20 -0.16 0.66 1.43 -0.08 -1.82 118.68 117.53 3kvk s LEU 280 Ca 0.22 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3kvk s LEU 280 Cb 0.02 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 3kvk s LEU 280 CO -0.02 0.11 -0.09 -0.63 0.23 0.00 0.00 176.35 175.95 3kvk s ILE 281 N -0.91 3.31 -0.26 -0.59 1.01 0.11 -0.53 121.20 123.34 3kvk s ILE 281 Ca 0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3kvk s ILE 281 Cb -0.09 -2.43 0.10 0.00 0.01 0.00 0.00 42.46 40.05 3kvk s ILE 281 CO 0.02 0.50 0.18 -0.69 0.00 0.00 0.00 174.94 174.95 3kvk s VAL 282 N 0.60 -0.19 0.24 2.92 1.01 -0.05 -1.53 120.40 123.41 3kvk s VAL 282 Ca -0.06 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3kvk s VAL 282 Cb -0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3kvk s VAL 282 CO 0.03 -0.53 0.18 0.42 0.00 0.00 0.00 175.10 175.20 3kvk s THR 283 N 2.20 0.00 0.13 3.92 -4.23 0.00 -0.35 115.64 117.32 3kvk s THR 283 Ca 0.08 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.57 3kvk s THR 283 Cb -0.15 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3kvk s THR 283 CO -0.28 0.00 0.13 -3.20 -0.54 0.00 0.00 174.62 170.73 3kvk n ASN 284 N -0.67 -0.76 -4.79 3.99 2.85 -0.25 -4.54 115.26 111.09 3kvk n ASN 284 Ca 0.04 -0.73 -0.30 0.00 -0.11 0.00 0.00 54.58 53.48 3kvk n ASN 284 Cb 0.65 -0.12 0.09 0.00 1.24 0.00 0.00 39.78 41.64 3kvk n ASN 284 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3kvk s THR 285 N -1.26 3.23 -0.06 -0.44 -4.23 -1.26 -4.38 115.64 107.24 3kvk s THR 285 Ca 0.08 0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 3kvk s THR 285 Cb -0.01 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 3kvk s THR 285 CO 0.06 -0.52 0.04 0.28 -0.54 0.00 0.00 174.62 173.94 3kvk s THR 286 N -3.08 4.58 -2.38 3.99 -1.32 -0.64 -4.44 115.64 112.34 3kvk s THR 286 Ca 0.61 -0.26 0.28 0.00 -1.21 0.00 0.00 61.69 61.10 3kvk s THR 286 Cb -0.15 -2.99 0.48 0.00 -1.51 0.00 0.00 72.50 68.33 3kvk s THR 286 CO 0.55 0.52 1.69 1.33 -2.21 0.00 0.00 174.62 176.49 3kvk n VAL 287 N 1.79 0.00 -1.82 5.08 0.24 -1.26 -0.09 118.33 122.27 3kvk n VAL 287 Ca -0.17 -0.24 -0.31 0.00 -2.04 0.00 0.00 64.34 61.58 3kvk n VAL 287 Cb 0.53 0.53 0.02 0.00 -1.47 0.00 0.00 33.84 33.46 3kvk n VAL 287 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kvk s SER 288 N -2.09 5.84 -0.38 -1.34 1.04 -1.26 -4.99 113.70 110.52 3kvk s SER 288 Ca 0.35 1.57 0.02 0.00 0.48 0.00 0.00 55.95 58.38 3kvk s SER 288 Cb 0.21 -2.49 0.11 0.00 0.10 0.00 0.00 66.02 63.94 3kvk s SER 288 CO 0.37 -1.13 0.13 -0.13 0.98 0.00 0.00 173.24 173.45 3kvk s ARG 289 N -4.86 1.34 0.52 4.02 1.81 -1.26 -4.75 118.95 115.76 3kvk s ARG 289 Ca 0.58 -1.82 -0.22 0.00 -1.72 0.00 0.00 55.73 52.55 3kvk s ARG 289 Cb -0.13 -2.79 -0.06 0.00 -0.45 0.00 0.00 34.95 31.52 3kvk s ARG 289 CO 0.50 -1.01 1.25 -2.30 -0.68 0.00 0.00 175.30 173.06 3kvk n PRO 290 N 4.11 1.61 -1.73 3.54 -0.02 -1.26 -4.90 135.00 136.35 3kvk n PRO 290 Ca 0.03 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3kvk n PRO 290 Cb 0.39 -2.43 -0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3kvk n PRO 290 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kvk n ALA 291 N -0.90 1.68 0.00 3.55 0.00 -1.26 -3.28 120.51 120.30 3kvk n ALA 291 Ca 0.10 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3kvk n ALA 291 Cb 0.43 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3kvk n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvk n GLY 292 N 0.66 0.35 3.74 0.00 0.00 -1.26 -5.06 105.19 103.61 3kvk n GLY 292 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3kvk n GLY 292 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvk n LEU 293 N 0.00 4.21 -0.01 0.99 4.77 -1.21 -4.91 117.00 120.84 3kvk n LEU 293 Ca 0.00 1.15 0.06 0.00 -0.03 0.00 0.00 56.01 57.19 3kvk n LEU 293 Cb 0.00 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 39.42 3kvk n LEU 293 CO 0.00 0.06 -0.66 0.00 -1.33 0.00 0.00 177.39 175.46 3kvk n GLN 294 N 2.05 0.47 -1.71 3.23 1.13 -1.26 -5.03 117.38 116.26 3kvk n GLN 294 Ca 0.09 -0.11 -0.41 0.00 -1.94 0.00 0.00 57.00 54.62 3kvk n GLN 294 Cb 0.36 -1.30 0.01 0.00 0.11 0.00 0.00 30.24 29.42 3kvk n GLN 294 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kvk n GLY 295 N 1.81 0.64 0.27 1.08 0.00 -1.26 -4.85 105.19 102.89 3kvk n GLY 295 Ca -0.03 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3kvk n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvk h ALA 296 N 2.28 1.69 -0.52 4.61 0.00 -1.95 -2.77 119.26 122.60 3kvk h ALA 296 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kvk h ALA 296 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kvk h ALA 296 CO 0.61 0.04 0.00 1.28 0.00 0.00 0.00 179.25 181.18 3kvk n LEU 297 N -4.13 4.74 0.30 0.00 4.77 -1.26 -4.54 117.00 116.88 3kvk n LEU 297 Ca -0.03 -2.40 0.17 0.00 -0.03 0.00 0.00 56.01 53.72 3kvk n LEU 297 Cb 0.12 -0.61 0.93 0.00 -2.33 0.00 0.00 43.42 41.52 3kvk n LEU 297 CO 0.31 0.63 1.08 0.08 -1.33 0.00 0.00 177.39 178.16 3kvk h ARG 298 N 3.49 0.00 -0.45 3.23 0.11 -1.86 -2.17 114.38 116.73 3kvk h ARG 298 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3kvk h ARG 298 Cb 1.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.67 3kvk h ARG 298 CO 0.34 0.04 0.00 0.43 0.10 0.00 0.00 179.97 180.88 3kvk n SER 299 N -3.41 3.11 -4.77 0.08 7.64 -1.26 -4.91 113.62 110.10 3kvk n SER 299 Ca -0.02 -1.95 -0.41 0.00 1.01 0.00 0.00 58.87 57.50 3kvk n SER 299 Cb 0.16 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.05 3kvk n SER 299 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3kvk s GLU 300 N -1.42 4.24 0.38 1.43 0.41 -0.82 -4.98 118.70 117.94 3kvk s GLU 300 Ca 0.39 2.38 -0.27 0.00 -0.41 0.00 0.00 54.97 57.05 3kvk s GLU 300 Cb 0.21 -3.04 -0.10 0.00 -1.78 0.00 0.00 34.13 29.43 3kvk s GLU 300 CO 0.29 -0.37 1.34 0.99 -0.49 0.00 0.00 175.26 177.03 3kvk s THR 301 N -0.94 2.52 -5.00 3.63 2.01 -1.26 -4.93 115.64 111.68 3kvk s THR 301 Ca 0.52 0.50 0.00 0.00 0.31 0.00 0.00 61.69 63.02 3kvk s THR 301 Cb -0.43 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 68.78 3kvk s THR 301 CO 0.55 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 3kvk n GLY 302 N 0.67 0.86 3.75 4.40 0.00 -1.26 -4.48 105.19 109.13 3kvk n GLY 302 Ca 0.02 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 3kvk n GLY 302 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kvk s GLY 303 N 0.00 2.31 -0.08 -0.02 0.00 -0.31 -4.52 107.32 104.69 3kvk s GLY 303 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 44.72 44.22 3kvk s GLY 303 CO 0.00 0.43 0.39 -2.27 0.00 0.00 0.00 173.10 171.65 3kvk s LEU 304 N 0.15 4.35 0.34 0.66 2.96 0.87 -1.97 118.68 126.04 3kvk s LEU 304 Ca 0.20 0.77 0.04 0.00 -0.22 0.00 0.00 54.13 54.92 3kvk s LEU 304 Cb -0.14 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 3kvk s LEU 304 CO 0.07 0.17 0.07 -0.94 -1.32 0.00 0.00 176.35 174.40 3kvk s SER 305 N -0.13 2.45 0.00 3.68 1.04 -0.04 -1.63 113.70 119.07 3kvk s SER 305 Ca 0.22 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.20 3kvk s SER 305 Cb -0.15 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.03 3kvk s SER 305 CO 0.09 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.24 3kvk n GLY 306 N -0.74 -1.11 0.37 7.32 0.00 -1.26 -2.35 105.19 107.42 3kvk n GLY 306 Ca -0.03 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.29 3kvk n GLY 306 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kvk h LYS 307 N 0.00 1.14 0.00 1.61 3.64 -1.57 -0.00 116.57 121.38 3kvk h LYS 307 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3kvk h LYS 307 Cb 0.00 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3kvk h LYS 307 CO 0.00 0.75 0.00 -1.35 -2.27 0.00 0.00 179.45 176.58 3kvk h PRO 308 N 1.17 0.00 0.00 1.90 0.11 -1.81 -1.65 132.00 131.71 3kvk h PRO 308 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3kvk h PRO 308 Cb 0.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.28 3kvk h PRO 308 CO -0.17 0.00 -0.62 1.25 -0.21 0.00 0.00 178.00 178.25 3kvk h LEU 309 N 0.00 0.00 0.15 2.35 5.85 -1.27 -3.43 115.31 118.96 3kvk h LEU 309 Ca 0.00 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3kvk h LEU 309 Cb 0.20 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3kvk h LEU 309 CO 0.00 0.05 -0.43 -0.09 -0.34 0.00 0.00 178.44 177.63 3kvk h ARG 310 N 0.00 -0.66 0.00 1.25 2.43 -1.18 -1.68 114.38 114.54 3kvk h ARG 310 Ca 0.00 0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3kvk h ARG 310 Cb 0.85 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3kvk h ARG 310 CO 0.00 -0.44 -0.67 -0.44 -1.51 0.00 0.00 179.97 176.91 3kvk h ASP 311 N -0.68 0.00 -0.74 -3.80 5.19 -1.83 -1.40 116.42 113.16 3kvk h ASP 311 Ca 0.01 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.46 3kvk h ASP 311 Cb 0.70 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.16 3kvk h ASP 311 CO -0.23 0.66 0.45 0.25 -3.12 0.00 0.00 179.24 177.26 3kvk h LEU 312 N 0.00 0.73 -0.18 1.55 5.85 -1.79 0.36 115.31 121.84 3kvk h LEU 312 Ca -0.01 0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 3kvk h LEU 312 Cb 1.51 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 42.40 3kvk h LEU 312 CO 0.09 0.49 -0.79 0.77 -0.34 0.00 0.00 178.44 178.66 3kvk h SER 313 N 0.87 0.89 -0.65 1.25 4.64 -0.98 -2.47 113.55 117.10 3kvk h SER 313 Ca 0.31 -0.59 0.04 0.00 -0.47 0.00 0.00 61.79 61.07 3kvk h SER 313 Cb 0.07 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 3kvk h SER 313 CO -0.13 1.38 0.39 0.74 -0.87 0.00 0.00 176.83 178.35 3kvk h THR 314 N 0.50 1.05 -0.13 2.95 2.02 -1.00 -0.40 112.91 117.90 3kvk h THR 314 Ca -0.06 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 3kvk h THR 314 Cb 1.42 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3kvk h THR 314 CO 0.16 0.14 -0.21 1.56 0.37 0.00 0.00 175.52 177.54 3kvk h GLN 315 N 0.76 0.21 -0.31 6.66 1.08 -0.89 -1.13 115.11 121.49 3kvk h GLN 315 Ca 0.27 -0.06 -0.18 0.00 -1.45 0.00 0.00 58.65 57.23 3kvk h GLN 315 Cb 0.06 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3kvk h GLN 315 CO -0.12 0.42 -0.52 1.15 -0.95 0.00 0.00 178.83 178.80 3kvk h THR 316 N 0.20 1.27 -0.37 -0.54 2.02 -0.86 -1.57 112.91 113.05 3kvk h THR 316 Ca 0.04 -1.70 0.04 0.00 0.77 0.00 0.00 66.41 65.55 3kvk h THR 316 Cb 0.48 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 3kvk h THR 316 CO 0.03 0.56 0.14 0.40 0.37 0.00 0.00 175.52 177.02 3kvk h ILE 317 N 0.69 0.91 -0.52 3.11 2.04 -0.78 -0.50 117.51 122.45 3kvk h ILE 317 Ca 0.02 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3kvk h ILE 317 Cb 1.13 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3kvk h ILE 317 CO 0.12 0.05 0.32 -0.09 0.00 0.00 0.00 178.15 178.55 3kvk h ARG 318 N 0.30 0.62 -0.26 2.37 2.43 -1.03 -0.32 114.38 118.49 3kvk h ARG 318 Ca 0.17 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3kvk h ARG 318 Cb 0.13 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3kvk h ARG 318 CO -0.16 0.41 -0.05 1.49 -1.51 0.00 0.00 179.97 180.15 3kvk h GLU 319 N 0.64 0.49 -0.21 0.20 4.81 -1.04 -2.70 114.58 116.76 3kvk h GLU 319 Ca 0.21 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3kvk h GLU 319 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3kvk h GLU 319 CO -0.08 0.70 -0.33 0.52 -0.73 0.00 0.00 179.01 179.08 3kvk h MET 320 N 0.24 0.45 -0.57 1.92 2.86 -0.83 -1.06 114.93 117.93 3kvk h MET 320 Ca 0.07 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 3kvk h MET 320 Cb 0.51 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 3kvk h MET 320 CO 0.02 0.73 0.29 -0.92 1.06 0.00 0.00 176.91 178.09 3kvk h TYR 321 N 0.38 0.81 -0.28 -0.22 3.20 -1.05 -1.83 116.97 117.98 3kvk h TYR 321 Ca 0.05 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 3kvk h TYR 321 Cb 0.77 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3kvk h TYR 321 CO 0.02 0.60 -0.23 0.00 -1.64 0.00 0.00 178.16 176.92 3kvk h ALA 322 N 1.12 0.41 0.00 1.82 0.00 -1.16 0.14 119.26 121.59 3kvk h ALA 322 Ca 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kvk h ALA 322 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kvk h ALA 322 CO -0.03 0.37 -0.09 -0.07 0.00 0.00 0.00 179.25 179.43 3kvk h LEU 323 N 0.39 0.00 -2.72 0.00 3.38 -1.10 -1.73 115.31 113.52 3kvk h LEU 323 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kvk h LEU 323 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3kvk h LEU 323 CO 0.06 0.09 0.00 0.35 0.09 0.00 0.00 178.44 179.03 3kvk n THR 324 N -3.70 0.92 -2.33 0.22 -2.24 -0.70 -4.87 114.28 101.58 3kvk n THR 324 Ca -0.02 -0.96 -0.20 0.00 -2.27 0.00 0.00 64.05 60.60 3kvk n THR 324 Cb 0.20 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 3kvk n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvk n GLN 325 N 1.21 -1.73 -1.11 -0.78 3.00 -0.65 -1.48 117.38 115.83 3kvk n GLN 325 Ca 0.19 0.98 -0.04 0.00 -0.01 0.00 0.00 57.00 58.12 3kvk n GLN 325 Cb 0.54 -5.61 -0.02 0.00 0.00 0.00 0.00 30.24 25.16 3kvk n GLN 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kvk n GLY 326 N -0.94 0.55 0.01 1.08 0.00 0.41 -4.85 105.19 101.45 3kvk n GLY 326 Ca -0.23 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.78 3kvk n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvk n ARG 327 N -1.12 0.04 -3.98 1.61 1.74 -0.55 -4.84 116.66 109.57 3kvk n ARG 327 Ca -0.04 -0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.67 3kvk n ARG 327 Cb 0.35 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 3kvk n ARG 327 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kvk s VAL 328 N -2.98 2.78 0.27 1.55 1.01 -1.26 -5.09 120.40 116.68 3kvk s VAL 328 Ca 0.10 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 3kvk s VAL 328 Cb 0.17 -2.42 -0.13 0.00 0.00 0.00 0.00 36.38 33.99 3kvk s VAL 328 CO 0.77 0.18 1.32 -2.65 0.00 0.00 0.00 175.10 174.72 3kvk n PRO 329 N 4.64 1.95 -5.02 2.72 -0.02 -1.26 -4.76 135.00 133.26 3kvk n PRO 329 Ca -0.16 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 3kvk n PRO 329 Cb 0.47 -2.28 -0.16 0.00 -0.02 0.00 0.00 33.50 31.50 3kvk n PRO 329 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kvk s ILE 330 N -0.50 1.72 -0.28 4.25 1.01 -1.26 -0.90 121.20 125.25 3kvk s ILE 330 Ca 0.63 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3kvk s ILE 330 Cb -0.64 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 3kvk s ILE 330 CO 0.55 0.48 0.19 -0.63 0.00 0.00 0.00 174.94 175.54 3kvk s ILE 331 N 0.15 5.31 -0.18 2.92 1.01 0.30 -0.63 121.20 130.09 3kvk s ILE 331 Ca -0.09 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.61 3kvk s ILE 331 Cb -0.14 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3kvk s ILE 331 CO 0.05 0.25 0.27 -0.83 0.00 0.00 0.00 174.94 174.68 3kvk s GLY 332 N 1.72 2.16 -0.03 6.18 0.00 0.55 -0.87 107.32 117.04 3kvk s GLY 332 Ca 0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.25 3kvk s GLY 332 CO 0.11 0.42 0.07 0.14 0.00 0.00 0.00 173.10 173.83 3kvk s VAL 333 N 0.57 -0.01 0.00 1.40 1.01 0.52 -1.41 120.40 122.49 3kvk s VAL 333 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3kvk s VAL 333 Cb -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.15 3kvk s VAL 333 CO 0.03 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3kvk n GLY 334 N 3.24 2.49 2.11 4.51 0.00 -1.26 -0.81 105.19 115.47 3kvk n GLY 334 Ca -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 3kvk n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvk n GLY 335 N 0.00 0.55 3.65 -0.02 0.00 -1.23 -3.93 105.19 104.21 3kvk n GLY 335 Ca 0.00 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 3kvk n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvk s VAL 336 N -2.02 4.59 -0.00 1.61 1.01 -1.26 -4.66 120.40 119.67 3kvk s VAL 336 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.87 3kvk s VAL 336 Cb 0.00 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3kvk s VAL 336 CO 0.00 -0.30 0.59 -1.54 0.00 0.00 0.00 175.10 173.85 3kvk n SER 337 N 6.56 0.19 -3.89 3.32 3.41 -1.26 -4.52 113.62 117.43 3kvk n SER 337 Ca 0.12 -1.19 -0.09 0.00 -0.26 0.00 0.00 58.87 57.45 3kvk n SER 337 Cb 0.46 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 3kvk n SER 337 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kvk s SER 338 N -0.20 -0.14 0.30 4.04 1.04 -1.26 -4.83 113.70 112.66 3kvk s SER 338 Ca 0.00 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 3kvk s SER 338 Cb 0.00 0.57 0.46 0.00 0.10 0.00 0.00 66.02 67.15 3kvk s SER 338 CO 0.00 -1.09 1.96 1.23 0.98 0.00 0.00 173.24 176.33 3kvk h GLY 339 N 2.26 1.17 0.99 7.32 0.00 -1.81 -2.21 103.07 110.79 3kvk h GLY 339 Ca -0.27 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 3kvk h GLY 339 CO 0.37 0.41 0.20 -1.61 0.00 0.00 0.00 176.54 175.91 3kvk h GLN 340 N 1.10 0.85 -0.72 4.80 4.15 -1.91 -0.10 115.11 123.28 3kvk h GLN 340 Ca 0.31 -0.17 0.04 0.00 0.77 0.00 0.00 58.65 59.60 3kvk h GLN 340 Cb -0.09 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.42 3kvk h GLN 340 CO -0.07 0.75 0.45 -0.44 -1.93 0.00 0.00 178.83 177.59 3kvk h ASP 341 N 0.76 0.72 -0.13 -0.69 3.32 -1.86 -0.41 116.42 118.13 3kvk h ASP 341 Ca 0.18 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3kvk h ASP 341 Cb 0.24 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3kvk h ASP 341 CO -0.01 0.49 -0.05 0.00 -1.72 0.00 0.00 179.24 177.95 3kvk h ALA 342 N 1.32 0.18 -0.45 3.45 0.00 -1.12 -2.96 119.26 119.68 3kvk h ALA 342 Ca 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kvk h ALA 342 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kvk h ALA 342 CO -0.13 -0.05 0.18 1.25 0.00 0.00 0.00 179.25 180.51 3kvk h LEU 343 N -0.07 0.58 -0.93 0.00 5.85 -0.76 -0.87 115.31 119.11 3kvk h LEU 343 Ca 0.03 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3kvk h LEU 343 Cb 0.50 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3kvk h LEU 343 CO 0.02 0.53 0.14 -0.33 -0.34 0.00 0.00 178.44 178.45 3kvk h GLU 344 N 0.64 0.93 -0.14 1.25 5.08 -1.01 0.18 114.58 121.50 3kvk h GLU 344 Ca 0.16 -0.20 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 3kvk h GLU 344 Cb 0.13 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3kvk h GLU 344 CO -0.02 0.83 -0.69 0.87 -1.00 0.00 0.00 179.01 179.01 3kvk h LYS 345 N 0.89 0.58 0.06 2.33 1.57 -1.26 -1.86 116.57 118.89 3kvk h LYS 345 Ca 0.19 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3kvk h LYS 345 Cb 0.32 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3kvk h LYS 345 CO 0.00 1.06 -0.03 0.82 -0.57 0.00 0.00 179.45 180.73 3kvk h ILE 346 N 0.42 1.07 0.00 1.86 2.04 -0.76 -0.23 117.51 121.91 3kvk h ILE 346 Ca -0.02 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3kvk h ILE 346 Cb 1.27 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3kvk h ILE 346 CO 0.13 0.12 -0.01 0.03 0.00 0.00 0.00 178.15 178.42 3kvk h ARG 347 N -0.29 0.00 0.00 2.37 3.08 -0.69 -0.18 114.38 118.67 3kvk h ARG 347 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kvk h ARG 347 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3kvk h ARG 347 CO 0.01 0.01 -0.06 0.00 -1.07 0.00 0.00 179.97 178.87 3kvk n ALA 348 N -2.38 2.39 0.00 0.04 0.00 -0.70 -1.41 120.51 118.45 3kvk n ALA 348 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3kvk n ALA 348 Cb 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.10 3kvk n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvk n GLY 349 N 1.39 -0.32 3.73 0.00 0.00 -0.35 -3.90 105.19 105.73 3kvk n GLY 349 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3kvk n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvk s ALA 350 N -0.61 3.30 -0.14 4.61 0.00 -0.16 -4.39 121.76 124.37 3kvk s ALA 350 Ca 0.00 0.36 0.16 0.00 0.00 0.00 0.00 51.96 52.49 3kvk s ALA 350 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 3kvk s ALA 350 CO 0.00 -0.03 1.09 0.77 0.00 0.00 0.00 175.76 177.59 3kvk h SER 351 N 6.03 0.00 -5.21 0.00 0.02 -1.18 -3.38 113.55 109.83 3kvk h SER 351 Ca -0.43 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.41 3kvk h SER 351 Cb 1.21 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.60 3kvk h SER 351 CO 0.73 0.52 -0.62 -0.76 -1.14 0.00 0.00 176.83 175.56 3kvk s LEU 352 N -6.04 2.27 0.19 5.07 1.43 -1.17 -4.93 118.68 115.50 3kvk s LEU 352 Ca 0.00 -0.90 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 3kvk s LEU 352 Cb 0.08 0.35 -0.05 0.00 0.03 0.00 0.00 46.19 46.61 3kvk s LEU 352 CO 0.78 -0.60 -0.12 0.68 0.23 0.00 0.00 176.35 177.32 3kvk s VAL 353 N -3.75 1.49 0.17 -1.59 -7.23 0.51 -0.33 120.40 109.67 3kvk s VAL 353 Ca 0.05 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 3kvk s VAL 353 Cb 0.06 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 3kvk s VAL 353 CO -0.10 -0.64 -0.14 -1.10 -0.31 0.00 0.00 175.10 172.81 3kvk s GLN 354 N -3.69 1.21 0.10 4.82 -0.21 -0.50 -0.52 119.66 120.87 3kvk s GLN 354 Ca 0.21 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 54.13 3kvk s GLN 354 Cb 0.01 -1.03 -0.04 0.00 1.00 0.00 0.00 33.01 32.95 3kvk s GLN 354 CO 0.05 0.18 -0.01 -0.48 -2.12 0.00 0.00 175.29 172.91 3kvk s LEU 355 N -2.97 2.23 0.17 2.90 0.05 -0.82 -4.25 118.68 115.99 3kvk s LEU 355 Ca 0.17 -1.09 0.00 0.00 0.05 0.00 0.00 54.13 53.26 3kvk s LEU 355 Cb -0.02 0.12 0.00 0.00 -2.05 0.00 0.00 46.19 44.24 3kvk s LEU 355 CO 0.05 -0.60 0.00 0.00 -0.55 0.00 0.00 176.35 175.25 3kvk n TYR 356 N -0.04 -1.96 -0.24 3.48 -0.00 -1.26 -1.96 117.16 115.17 3kvk n TYR 356 Ca -0.10 0.40 0.09 0.00 -0.00 0.00 0.00 57.90 58.29 3kvk n TYR 356 Cb 0.62 1.06 0.35 0.00 -0.00 0.00 0.00 39.34 41.37 3kvk n TYR 356 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.86 178.01 3kvk h THR 357 N 0.00 0.94 -0.57 2.97 2.02 -1.97 -0.03 112.91 116.27 3kvk h THR 357 Ca 0.00 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 66.94 3kvk h THR 357 Cb 0.00 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 3kvk h THR 357 CO 0.00 0.14 0.38 0.00 0.37 0.00 0.00 175.52 176.41 3kvk h ALA 358 N 1.59 1.66 -0.52 6.16 0.00 -1.93 -0.23 119.26 125.98 3kvk h ALA 358 Ca 0.39 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.29 3kvk h ALA 358 Cb 0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3kvk h ALA 358 CO -0.16 0.30 0.35 1.25 0.00 0.00 0.00 179.25 180.98 3kvk h LEU 359 N 0.71 0.54 -0.62 0.00 5.85 -1.29 -0.16 115.31 120.33 3kvk h LEU 359 Ca 0.22 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3kvk h LEU 359 Cb 0.01 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3kvk h LEU 359 CO -0.05 0.38 -0.08 0.71 -0.34 0.00 0.00 178.44 179.05 3kvk h THR 360 N 0.63 0.16 0.05 1.05 1.35 -1.04 -0.33 112.91 114.78 3kvk h THR 360 Ca 0.20 -0.98 -0.38 0.00 -0.55 0.00 0.00 66.41 64.70 3kvk h THR 360 Cb 0.04 1.85 -0.05 0.00 -1.73 0.00 0.00 68.15 68.27 3kvk h THR 360 CO -0.05 0.08 -2.23 0.49 -0.25 0.00 0.00 175.52 173.55 3kvk n PHE 361 N -3.15 0.54 0.35 4.73 3.01 -0.91 -4.67 117.46 117.36 3kvk n PHE 361 Ca 0.02 0.13 0.07 0.00 1.01 0.00 0.00 57.45 58.68 3kvk n PHE 361 Cb 0.46 -1.07 -0.10 0.00 -0.01 0.00 0.00 39.48 38.77 3kvk n PHE 361 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3kvk n TRP 362 N -3.49 0.00 -0.46 1.38 5.03 -0.12 -4.78 117.44 115.01 3kvk n TRP 362 Ca -0.41 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.15 3kvk n TRP 362 Cb 0.99 -0.16 -0.01 0.00 -1.03 0.00 0.00 31.31 31.10 3kvk n TRP 362 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3kvk n GLY 363 N 1.49 -2.20 0.43 6.99 0.00 -0.13 -4.23 105.19 107.53 3kvk n GLY 363 Ca 0.00 -1.48 0.25 0.00 0.00 0.00 0.00 46.02 44.79 3kvk n GLY 363 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kvk h PRO 364 N 0.00 0.30 0.00 1.61 0.11 -1.95 -1.83 132.00 130.24 3kvk h PRO 364 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3kvk h PRO 364 Cb 0.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3kvk h PRO 364 CO 0.00 0.20 0.07 -1.35 -0.21 0.00 0.00 178.00 176.72 3kvk h PRO 365 N 0.31 0.00 0.00 1.05 0.11 -1.85 -2.14 132.00 129.48 3kvk h PRO 365 Ca 0.59 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.67 3kvk h PRO 365 Cb 1.66 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.76 3kvk h PRO 365 CO -0.25 0.00 -0.16 -0.24 -0.21 0.00 0.00 178.00 177.14 3kvk h VAL 366 N 0.00 0.74 0.17 3.15 3.04 -1.57 -1.95 116.25 119.84 3kvk h VAL 366 Ca 0.00 -0.66 -0.01 0.00 -1.01 0.00 0.00 66.70 65.02 3kvk h VAL 366 Cb 0.15 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 3kvk h VAL 366 CO 0.00 0.16 -0.08 0.58 -1.01 0.00 0.00 177.57 177.22 3kvk h VAL 367 N 0.00 0.93 -0.58 1.51 2.07 -1.62 -0.41 116.25 118.15 3kvk h VAL 367 Ca -0.00 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3kvk h VAL 367 Cb 0.39 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3kvk h VAL 367 CO 0.02 0.12 0.17 1.23 0.02 0.00 0.00 177.57 179.14 3kvk h GLY 368 N -0.49 0.95 0.72 2.17 0.00 -1.69 -2.28 103.07 102.45 3kvk h GLY 368 Ca -0.02 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.79 3kvk h GLY 368 CO 0.04 0.50 -0.12 1.70 0.00 0.00 0.00 176.54 178.66 3kvk h LYS 369 N 0.86 -0.19 -0.48 4.80 3.64 -1.18 0.60 116.57 124.61 3kvk h LYS 369 Ca 0.19 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3kvk h LYS 369 Cb 0.26 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3kvk h LYS 369 CO -0.01 -0.13 0.29 0.28 -2.27 0.00 0.00 179.45 177.62 3kvk h VAL 370 N -0.20 1.06 -0.18 2.00 2.07 -0.88 -0.87 116.25 119.26 3kvk h VAL 370 Ca 0.04 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3kvk h VAL 370 Cb 0.25 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3kvk h VAL 370 CO -0.11 0.11 0.08 0.11 0.02 0.00 0.00 177.57 177.77 3kvk h LYS 371 N 0.59 0.26 -0.60 1.57 1.57 -1.12 0.07 116.57 118.92 3kvk h LYS 371 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3kvk h LYS 371 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3kvk h LYS 371 CO -0.08 0.32 0.38 -0.09 -0.57 0.00 0.00 179.45 179.40 3kvk h ARG 372 N 0.14 0.80 -0.21 3.15 2.43 -0.69 -1.36 114.38 118.64 3kvk h ARG 372 Ca 0.06 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 3kvk h ARG 372 Cb 0.15 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3kvk h ARG 372 CO -0.01 0.56 -0.44 0.93 -1.51 0.00 0.00 179.97 179.50 3kvk h GLU 373 N 0.81 0.52 -0.36 0.20 5.08 -1.05 -2.39 114.58 117.38 3kvk h GLU 373 Ca 0.22 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3kvk h GLU 373 Cb -0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3kvk h GLU 373 CO -0.04 0.86 0.12 1.25 -1.00 0.00 0.00 179.01 180.20 3kvk h LEU 374 N 0.42 0.52 -0.73 1.33 5.85 -0.65 -1.07 115.31 120.98 3kvk h LEU 374 Ca 0.03 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3kvk h LEU 374 Cb 0.94 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3kvk h LEU 374 CO 0.08 0.58 0.39 -0.08 -0.34 0.00 0.00 178.44 179.07 3kvk h GLU 375 N 0.43 1.02 -0.36 1.25 4.81 -1.16 -0.92 114.58 119.65 3kvk h GLU 375 Ca 0.12 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3kvk h GLU 375 Cb 0.24 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3kvk h GLU 375 CO -0.01 0.77 0.14 0.00 -0.73 0.00 0.00 179.01 179.19 3kvk h ALA 376 N 1.20 0.47 -0.45 2.92 0.00 -1.24 -2.38 119.26 119.77 3kvk h ALA 376 Ca 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3kvk h ALA 376 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kvk h ALA 376 CO -0.04 0.07 0.06 -0.07 0.00 0.00 0.00 179.25 179.27 3kvk h LEU 377 N 0.43 0.65 -0.13 0.00 3.38 -0.94 -0.45 115.31 118.26 3kvk h LEU 377 Ca 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kvk h LEU 377 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kvk h LEU 377 CO -0.01 0.69 0.06 -0.07 0.09 0.00 0.00 178.44 179.20 3kvk h LEU 378 N 0.67 0.17 -0.40 1.67 3.38 -0.95 -0.66 115.31 119.19 3kvk h LEU 378 Ca 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kvk h LEU 378 Cb 0.33 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kvk h LEU 378 CO 0.01 0.24 0.25 0.11 0.09 0.00 0.00 178.44 179.14 3kvk h LYS 379 N 0.09 0.53 -0.79 1.13 1.57 -1.22 -0.61 116.57 117.28 3kvk h LYS 379 Ca 0.05 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3kvk h LYS 379 Cb 0.12 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 3kvk h LYS 379 CO -0.01 0.37 0.52 1.49 -0.57 0.00 0.00 179.45 181.26 3kvk h GLU 380 N 0.53 0.84 -0.65 3.15 4.81 -0.79 -1.78 114.58 120.69 3kvk h GLU 380 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kvk h GLU 380 Cb -0.03 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.16 3kvk h GLU 380 CO -0.03 0.56 0.00 1.04 -0.73 0.00 0.00 179.01 179.85 3kvk n GLN 381 N -4.48 2.67 -0.56 1.92 6.02 -0.28 -4.95 117.38 117.72 3kvk n GLN 381 Ca 0.12 -2.58 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 3kvk n GLN 381 Cb 0.21 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.91 3kvk n GLN 381 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvk n GLY 382 N 1.64 0.71 3.76 1.08 0.00 -0.67 -5.04 105.19 106.68 3kvk n GLY 382 Ca 0.23 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3kvk n GLY 382 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kvk s PHE 383 N -2.00 3.85 0.25 1.61 0.40 -0.31 -4.96 117.98 116.82 3kvk s PHE 383 Ca 0.00 1.60 0.13 0.00 -0.60 0.00 0.00 56.93 58.06 3kvk s PHE 383 Cb 0.00 -2.80 0.44 0.00 0.51 0.00 0.00 43.02 41.17 3kvk s PHE 383 CO 0.00 0.42 1.64 0.78 0.70 0.00 0.00 175.22 178.77 3kvk h GLY 384 N 4.81 0.00 -1.22 4.36 0.00 -1.96 -3.38 103.07 105.68 3kvk h GLY 384 Ca -0.46 0.00 0.11 0.00 0.00 0.00 0.00 47.33 46.98 3kvk h GLY 384 CO 0.68 0.00 0.48 0.61 0.00 0.00 0.00 176.54 178.31 3kvk n GLY 385 N 0.24 0.74 0.26 4.60 0.00 -1.26 -4.74 105.19 105.02 3kvk n GLY 385 Ca -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 44.86 3kvk n GLY 385 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kvk h VAL 386 N 1.92 0.85 -0.96 1.61 2.07 -1.21 -2.66 116.25 117.86 3kvk h VAL 386 Ca -0.27 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.14 3kvk h VAL 386 Cb 1.13 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 3kvk h VAL 386 CO 0.35 0.11 0.62 0.74 0.02 0.00 0.00 177.57 179.40 3kvk h THR 387 N 0.58 1.01 0.00 2.57 2.02 -1.82 0.19 112.91 117.46 3kvk h THR 387 Ca 0.34 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3kvk h THR 387 Cb 0.35 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3kvk h THR 387 CO -0.27 0.19 -0.17 0.44 0.37 0.00 0.00 175.52 176.09 3kvk h ASP 388 N 1.03 0.00 1.02 4.18 3.45 -1.88 -3.01 116.42 121.21 3kvk h ASP 388 Ca 0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.90 3kvk h ASP 388 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3kvk h ASP 388 CO -0.19 0.17 -0.62 0.00 -1.57 0.00 0.00 179.24 177.02 3kvk h ALA 389 N 1.83 0.62 -2.31 3.45 0.00 -0.97 -3.44 119.26 118.44 3kvk h ALA 389 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3kvk h ALA 389 Cb 0.44 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.25 3kvk h ALA 389 CO 0.02 0.00 1.25 0.42 0.00 0.00 0.00 179.25 180.94 3kvk s ILE 390 N -3.21 3.06 0.00 0.00 1.01 -1.11 -1.69 121.20 119.26 3kvk s ILE 390 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3kvk s ILE 390 Cb 0.12 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3kvk s ILE 390 CO 0.72 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.27 3kvk n GLY 391 N 4.63 0.57 0.39 6.18 0.00 -0.22 -4.90 105.19 111.84 3kvk n GLY 391 Ca 0.21 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.42 3kvk n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvk h ALA 392 N 0.00 2.37 0.00 4.61 0.00 -1.01 -0.41 119.26 124.82 3kvk h ALA 392 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kvk h ALA 392 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kvk h ALA 392 CO 0.00 -0.56 -0.10 -0.44 0.00 0.00 0.00 179.25 178.16 3kvk h ASP 393 N 0.19 0.00 0.79 0.00 3.32 -1.51 -2.38 116.42 116.82 3kvk h ASP 393 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3kvk h ASP 393 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3kvk h ASP 393 CO -0.06 0.10 -0.07 1.41 -1.72 0.00 0.00 179.24 178.90 3kvk n HIS 394 N -4.19 0.00 -0.80 4.55 8.25 -0.16 -3.52 115.22 119.34 3kvk n HIS 394 Ca -0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.51 3kvk n HIS 394 Cb 0.18 -0.39 0.29 0.00 1.12 0.00 0.00 29.99 31.18 3kvk n HIS 394 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kvk n ARG 395 N -1.40 3.43 0.00 -0.41 1.74 -0.89 -5.20 116.66 113.93 3kvk n ARG 395 Ca 0.09 -2.80 0.12 0.00 -0.77 0.00 0.00 57.85 54.50 3kvk n ARG 395 Cb 0.31 -1.85 0.19 0.00 -1.02 0.00 0.00 32.46 30.09 3kvk n ARG 395 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65