#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvz s ARG 6 N 0.00 3.94 0.26 3.17 0.52 -1.26 -5.05 118.95 120.52 3kvz s ARG 6 Ca 0.00 -0.16 -0.31 0.00 -0.52 0.00 0.00 55.73 54.74 3kvz s ARG 6 Cb 0.00 -3.34 -0.12 0.00 0.52 0.00 0.00 34.95 32.01 3kvz s ARG 6 CO 0.00 0.47 1.65 0.28 0.02 0.00 0.00 175.30 177.72 3kvz n VAL 7 N 2.98 0.60 0.00 3.52 0.31 -1.26 -2.32 118.33 122.15 3kvz n VAL 7 Ca -0.17 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3kvz n VAL 7 Cb 0.53 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 3kvz n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kvz n GLY 8 N 2.91 2.91 3.73 2.92 0.00 -0.10 -4.98 105.19 112.57 3kvz n GLY 8 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3kvz n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kvz s GLU 9 N -0.97 4.31 -0.02 1.61 -1.05 -0.98 -4.73 118.70 116.86 3kvz s GLU 9 Ca 0.00 2.17 0.03 0.00 -0.15 0.00 0.00 54.97 57.02 3kvz s GLU 9 Cb 0.00 -3.19 -0.03 0.00 -0.44 0.00 0.00 34.13 30.47 3kvz s GLU 9 CO 0.00 -0.42 -0.08 1.03 0.95 0.00 0.00 175.26 176.74 3kvz s ARG 10 N 0.47 2.58 -0.03 -4.83 0.52 -1.26 -1.37 118.95 115.02 3kvz s ARG 10 Ca 0.62 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 55.20 3kvz s ARG 10 Cb -0.39 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 3kvz s ARG 10 CO 0.35 0.62 -0.17 0.12 0.02 0.00 0.00 175.30 176.25 3kvz s PHE 11 N -0.90 1.63 0.00 -0.53 5.36 0.21 -4.99 117.98 118.76 3kvz s PHE 11 Ca 0.15 -0.42 0.08 0.00 -0.96 0.00 0.00 56.93 55.77 3kvz s PHE 11 Cb -0.11 -1.08 -0.02 0.00 -0.34 0.00 0.00 43.02 41.46 3kvz s PHE 11 CO 0.05 -0.12 -0.24 0.99 -1.46 0.00 0.00 175.22 174.43 3kvz s THR 12 N -0.08 1.92 0.04 0.12 2.01 -1.26 -1.16 115.64 117.23 3kvz s THR 12 Ca -0.01 -1.12 -0.07 0.00 0.31 0.00 0.00 61.69 60.80 3kvz s THR 12 Cb -0.10 -1.61 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 3kvz s THR 12 CO 0.01 0.46 0.14 -1.38 -0.69 0.00 0.00 174.62 173.16 3kvz s HIS 13 N -0.64 0.14 0.16 4.92 -3.43 -0.50 -5.01 115.29 110.94 3kvz s HIS 13 Ca 0.10 -0.41 0.07 0.00 -0.80 0.00 0.00 55.06 54.02 3kvz s HIS 13 Cb -0.09 -0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 3kvz s HIS 13 CO 0.00 -0.39 -0.03 -0.51 -2.00 0.00 0.00 174.74 171.80 3kvz s ASP 14 N -2.13 4.63 -0.27 7.38 1.01 -1.26 -1.33 116.67 124.70 3kvz s ASP 14 Ca -0.05 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 52.78 3kvz s ASP 14 Cb -0.01 -0.94 0.16 0.00 1.01 0.00 0.00 42.92 43.14 3kvz s ASP 14 CO -0.04 0.11 0.49 0.12 0.21 0.00 0.00 175.17 176.05 3kvz s PHE 15 N -1.62 -1.22 -0.14 4.23 5.36 -0.61 -4.98 117.98 119.01 3kvz s PHE 15 Ca 0.26 1.26 -0.29 0.00 -0.96 0.00 0.00 56.93 57.20 3kvz s PHE 15 Cb -0.10 0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.85 3kvz s PHE 15 CO 0.17 -0.80 1.38 0.08 -1.46 0.00 0.00 175.22 174.59 3kvz s VAL 16 N 2.70 4.07 -0.15 3.12 1.01 -1.26 -0.82 120.40 129.07 3kvz s VAL 16 Ca 0.17 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 3kvz s VAL 16 Cb -0.15 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3kvz s VAL 16 CO -0.19 -0.13 1.59 -0.69 0.00 0.00 0.00 175.10 175.69 3kvz s VAL 17 N 3.71 3.72 0.70 2.92 1.01 -0.50 -4.91 120.40 127.05 3kvz s VAL 17 Ca 0.60 0.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.36 3kvz s VAL 17 Cb -0.25 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.56 3kvz s VAL 17 CO 0.19 -0.18 1.00 -2.16 0.00 0.00 0.00 175.10 173.95 3kvz s PRO 18 N 4.29 2.20 0.56 2.72 0.04 -1.26 -0.84 135.00 142.71 3kvz s PRO 18 Ca 0.70 -0.31 0.28 0.00 0.04 0.00 0.00 61.00 61.71 3kvz s PRO 18 Cb -0.28 -2.19 1.65 0.00 0.04 0.00 0.00 34.50 33.72 3kvz s PRO 18 CO 0.27 -1.22 2.19 -1.35 0.04 0.00 0.00 177.00 176.94 3kvz h PRO 19 N -0.56 0.00 -0.67 0.56 0.11 -1.95 -2.70 132.00 126.79 3kvz h PRO 19 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kvz h PRO 19 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3kvz h PRO 19 CO 0.59 0.04 0.00 -2.39 -0.21 0.00 0.00 178.00 176.04 3kvz n HIS 20 N -3.85 0.60 -0.72 0.65 1.44 -1.26 -3.71 115.22 108.37 3kvz n HIS 20 Ca -0.03 -0.22 0.07 0.00 -2.01 0.00 0.00 57.72 55.53 3kvz n HIS 20 Cb 0.13 -0.17 0.17 0.00 0.12 0.00 0.00 29.99 30.25 3kvz n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kvz n LYS 21 N 0.22 2.48 -2.17 -1.40 4.76 -1.02 -4.79 118.16 116.25 3kvz n LYS 21 Ca 0.09 -2.43 -0.27 0.00 -2.87 0.00 0.00 58.31 52.83 3kvz n LYS 21 Cb 0.46 -1.52 0.11 0.00 -1.84 0.00 0.00 35.03 32.24 3kvz n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kvz s THR 22 N -2.24 2.15 0.20 -0.18 -4.23 -1.24 -2.22 115.64 107.87 3kvz s THR 22 Ca 0.30 -0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 3kvz s THR 22 Cb 0.23 -2.92 0.15 0.00 1.34 0.00 0.00 72.50 71.30 3kvz s THR 22 CO 0.07 0.00 1.70 0.58 -0.54 0.00 0.00 174.62 176.44 3kvz h VAL 23 N -0.92 0.65 0.00 2.29 2.07 -1.69 -2.32 116.25 116.33 3kvz h VAL 23 Ca -0.43 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3kvz h VAL 23 Cb 1.29 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3kvz h VAL 23 CO 0.51 0.04 -0.01 0.08 0.02 0.00 0.00 177.57 178.21 3kvz h ARG 24 N 0.23 0.00 0.00 1.57 0.11 -1.88 -2.28 114.38 112.13 3kvz h ARG 24 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 3kvz h ARG 24 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3kvz h ARG 24 CO -0.39 0.01 -0.59 0.45 0.10 0.00 0.00 179.97 179.55 3kvz h HIS 25 N 0.00 0.00 -0.14 4.08 3.86 -1.72 -3.02 115.15 118.21 3kvz h HIS 25 Ca -0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3kvz h HIS 25 Cb 0.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 3kvz h HIS 25 CO 0.00 0.00 -0.20 1.25 0.86 0.00 0.00 177.93 179.84 3kvz h LEU 26 N 0.00 0.43 -7.11 2.43 5.85 -1.37 -3.36 115.31 112.18 3kvz h LEU 26 Ca 0.00 -0.52 -0.62 0.00 0.84 0.00 0.00 57.88 57.58 3kvz h LEU 26 Cb 0.89 -0.12 -0.41 0.00 0.37 0.00 0.00 40.66 41.39 3kvz h LEU 26 CO 0.00 0.86 -0.66 -0.31 -0.34 0.00 0.00 178.44 177.99 3kvz s TYR 27 N -4.16 2.90 0.51 1.25 2.02 -1.25 -4.95 117.35 113.67 3kvz s TYR 27 Ca -0.14 -3.01 0.23 0.00 -0.37 0.00 0.00 57.07 53.78 3kvz s TYR 27 Cb 0.05 -2.43 1.33 0.00 -0.40 0.00 0.00 41.96 40.52 3kvz s TYR 27 CO 0.77 -0.69 2.00 -1.35 -1.57 0.00 0.00 175.55 174.71 3kvz h PRO 28 N 6.09 0.06 0.00 -1.71 0.11 -1.68 -1.15 132.00 133.72 3kvz h PRO 28 Ca 0.04 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3kvz h PRO 28 Cb 0.85 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3kvz h PRO 28 CO 0.63 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.61 3kvz n GLU 29 N -4.40 0.09 -3.27 1.05 0.00 -1.26 -4.78 120.64 108.07 3kvz n GLU 29 Ca 0.10 0.16 -0.41 0.00 0.00 0.00 0.00 57.16 57.01 3kvz n GLU 29 Cb 0.56 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.42 3kvz n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kvz s SER 30 N -2.86 6.30 0.38 -1.84 0.15 -0.44 -4.91 113.70 110.48 3kvz s SER 30 Ca 0.12 -0.01 0.17 0.00 0.70 0.00 0.00 55.95 56.93 3kvz s SER 30 Cb 0.12 -2.26 0.76 0.00 -1.71 0.00 0.00 66.02 62.93 3kvz s SER 30 CO 0.32 -0.44 1.79 -0.65 1.20 0.00 0.00 173.24 175.46 3kvz h PRO 31 N 8.42 0.00 0.00 5.44 0.11 -1.88 -2.69 132.00 141.41 3kvz h PRO 31 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 3kvz h PRO 31 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kvz h PRO 31 CO 0.76 0.37 -0.31 0.93 -0.21 0.00 0.00 178.00 179.54 3kvz h GLU 32 N 0.00 0.00 0.00 1.05 3.07 -1.96 -3.04 114.58 113.70 3kvz h GLU 32 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kvz h GLU 32 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3kvz h GLU 32 CO 0.05 0.31 -1.02 1.19 -1.40 0.00 0.00 179.01 178.13 3kvz n PHE 33 N -3.52 0.90 0.01 4.33 0.99 -1.13 -4.49 117.46 114.56 3kvz n PHE 33 Ca -0.00 0.26 0.19 0.00 -0.00 0.00 0.00 57.45 57.90 3kvz n PHE 33 Cb 0.46 -0.92 0.68 0.00 -1.00 0.00 0.00 39.48 38.70 3kvz n PHE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kvz h ALA 34 N 2.04 2.45 -0.34 4.37 0.00 -1.35 -1.52 119.26 124.90 3kvz h ALA 34 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kvz h ALA 34 Cb 0.98 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kvz h ALA 34 CO 0.00 -0.59 0.00 0.39 0.00 0.00 0.00 179.25 179.05 3kvz n GLU 35 N -4.39 3.02 -1.23 0.00 -0.58 -1.26 -4.88 120.64 111.31 3kvz n GLU 35 Ca 0.09 -2.53 -0.34 0.00 -0.42 0.00 0.00 57.16 53.96 3kvz n GLU 35 Cb 0.56 -1.62 0.11 0.00 -0.57 0.00 0.00 31.44 29.92 3kvz n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kvz n PHE 36 N 0.08 1.18 -1.48 -0.32 0.99 -0.57 -4.96 117.46 112.38 3kvz n PHE 36 Ca 0.18 0.40 -0.38 0.00 -0.00 0.00 0.00 57.45 57.65 3kvz n PHE 36 Cb 0.71 -2.12 0.05 0.00 -1.00 0.00 0.00 39.48 37.12 3kvz n PHE 36 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3kvz n PRO 37 N -2.77 0.57 -2.30 -1.08 -0.02 -1.26 -4.83 135.00 123.30 3kvz n PRO 37 Ca 0.14 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 3kvz n PRO 37 Cb 0.50 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3kvz n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kvz n GLU 38 N -0.39 3.25 -4.27 -0.52 -0.58 -1.26 -4.55 120.64 112.32 3kvz n GLU 38 Ca 0.12 -3.24 -0.16 0.00 -0.42 0.00 0.00 57.16 53.46 3kvz n GLU 38 Cb 0.48 -3.18 -0.10 0.00 -0.57 0.00 0.00 31.44 28.07 3kvz n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kvz s VAL 39 N 2.27 1.33 0.03 2.62 -7.23 -1.26 -4.31 120.40 113.85 3kvz s VAL 39 Ca 0.45 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.30 3kvz s VAL 39 Cb 0.08 -1.81 -0.10 0.00 0.56 0.00 0.00 36.38 35.11 3kvz s VAL 39 CO -0.01 -0.63 1.91 0.33 -0.31 0.00 0.00 175.10 176.39 3kvz n PHE 40 N -0.05 2.48 -2.25 2.82 -0.00 0.12 -2.27 117.46 118.31 3kvz n PHE 40 Ca -0.11 -0.22 -0.41 0.00 -0.00 0.00 0.00 57.45 56.71 3kvz n PHE 40 Cb 0.60 -2.75 -0.03 0.00 -0.00 0.00 0.00 39.48 37.30 3kvz n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kvz s ALA 41 N 3.88 3.49 0.25 3.13 0.00 -0.94 -4.76 121.76 126.81 3kvz s ALA 41 Ca 0.88 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.91 3kvz s ALA 41 Cb -0.52 -3.44 0.50 0.00 0.00 0.00 0.00 23.12 19.66 3kvz s ALA 41 CO 0.43 -0.48 1.68 1.15 0.00 0.00 0.00 175.76 178.55 3kvz h THR 42 N 3.40 0.49 0.00 0.00 2.02 -1.93 0.18 112.91 117.07 3kvz h THR 42 Ca -0.46 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3kvz h THR 42 Cb 1.22 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3kvz h THR 42 CO 0.71 0.05 -0.03 1.23 0.37 0.00 0.00 175.52 177.85 3kvz h GLY 43 N 0.28 0.00 1.57 2.16 0.00 -1.98 0.35 103.07 105.45 3kvz h GLY 43 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.50 3kvz h GLY 43 CO -0.53 0.00 -1.29 0.74 0.00 0.00 0.00 176.54 175.46 3kvz h PHE 44 N 0.00 0.39 0.07 5.60 0.04 -1.09 -1.95 116.94 120.00 3kvz h PHE 44 Ca -0.00 -0.28 -0.00 0.00 2.80 0.00 0.00 57.97 60.48 3kvz h PHE 44 Cb 0.06 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3kvz h PHE 44 CO 0.00 1.25 -0.03 1.98 -0.60 0.00 0.00 178.31 180.91 3kvz h MET 45 N 0.06 -0.09 -0.31 1.51 4.05 0.33 -0.63 114.93 119.85 3kvz h MET 45 Ca -0.15 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.34 3kvz h MET 45 Cb 1.95 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 32.69 3kvz h MET 45 CO 0.18 0.01 -0.46 0.28 0.23 0.00 0.00 176.91 177.15 3kvz h VAL 46 N -0.16 0.09 -0.78 -5.77 2.07 -0.41 -1.19 116.25 110.10 3kvz h VAL 46 Ca -0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.65 3kvz h VAL 46 Cb 0.14 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 29.91 3kvz h VAL 46 CO 0.02 0.00 0.36 1.23 0.02 0.00 0.00 177.57 179.19 3kvz h GLY 47 N -0.41 1.21 1.68 2.17 0.00 -1.27 -0.83 103.07 105.63 3kvz h GLY 47 Ca 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 3kvz h GLY 47 CO -0.52 -0.05 -0.24 -2.00 0.00 0.00 0.00 176.54 173.73 3kvz h LEU 48 N 0.53 0.37 -0.22 3.11 5.85 -0.67 -0.58 115.31 123.71 3kvz h LEU 48 Ca 0.42 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.87 3kvz h LEU 48 Cb 0.59 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3kvz h LEU 48 CO -0.37 0.61 -0.47 0.24 -0.34 0.00 0.00 178.44 178.12 3kvz h MET 49 N 0.34 0.71 -0.31 1.25 2.86 -0.09 -2.02 114.93 117.66 3kvz h MET 49 Ca 0.05 -0.47 0.06 0.00 -2.06 0.00 0.00 59.70 57.28 3kvz h MET 49 Cb 0.60 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 3kvz h MET 49 CO 0.04 1.09 -0.02 0.93 1.06 0.00 0.00 176.91 180.01 3kvz h GLU 50 N 0.42 0.06 -0.90 1.72 5.08 -1.04 -1.76 114.58 118.17 3kvz h GLU 50 Ca 0.00 -0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 3kvz h GLU 50 Cb 1.08 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.24 3kvz h GLU 50 CO 0.10 0.04 0.59 2.35 -1.00 0.00 0.00 179.01 181.09 3kvz h TRP 51 N 0.06 0.67 -0.46 4.33 2.91 -1.04 0.24 115.95 122.65 3kvz h TRP 51 Ca 0.15 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.13 3kvz h TRP 51 Cb 0.21 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 3kvz h TRP 51 CO -0.24 0.20 0.08 0.00 -1.03 0.00 0.00 178.44 177.44 3kvz h ALA 52 N 1.61 0.62 -0.15 2.65 0.00 -0.56 -2.24 119.26 121.18 3kvz h ALA 52 Ca 0.47 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 3kvz h ALA 52 Cb 0.99 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.62 3kvz h ALA 52 CO -0.20 0.34 -0.76 0.00 0.00 0.00 0.00 179.25 178.62 3kvz h VAL 54 N 0.52 0.65 0.06 0.00 2.07 -1.03 0.14 116.25 118.66 3kvz h VAL 54 Ca -0.05 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3kvz h VAL 54 Cb 1.38 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3kvz h VAL 54 CO 0.15 0.01 -0.08 0.03 0.02 0.00 0.00 177.57 177.70 3kvz h ARG 55 N 0.05 -0.17 -0.50 1.57 3.08 -1.28 -1.25 114.38 115.88 3kvz h ARG 55 Ca 0.20 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.31 3kvz h ARG 55 Cb 0.29 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 3kvz h ARG 55 CO -0.37 -0.11 0.22 0.00 -1.07 0.00 0.00 179.97 178.64 3kvz h ALA 56 N 0.75 0.63 -0.30 0.04 0.00 -0.98 -2.62 119.26 116.77 3kvz h ALA 56 Ca 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kvz h ALA 56 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kvz h ALA 56 CO -0.04 -0.15 -0.04 0.52 0.00 0.00 0.00 179.25 179.55 3kvz h MET 57 N 0.43 0.48 -1.00 0.00 2.86 -0.50 -3.36 114.93 113.85 3kvz h MET 57 Ca 0.23 -0.11 0.20 0.00 -2.06 0.00 0.00 59.70 57.97 3kvz h MET 57 Cb 0.19 -0.07 -0.10 0.00 0.06 0.00 0.00 31.60 31.68 3kvz h MET 57 CO -0.19 0.53 0.62 0.00 1.06 0.00 0.00 176.91 178.93 3kvz h ALA 58 N 1.51 1.80 -0.00 6.32 0.00 -0.83 0.58 119.26 128.63 3kvz h ALA 58 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kvz h ALA 58 Cb 0.36 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kvz h ALA 58 CO 0.01 -0.17 0.01 -1.35 0.00 0.00 0.00 179.25 177.76 3kvz h PRO 59 N 0.68 0.00 -0.01 0.00 0.11 -1.78 -3.07 132.00 127.93 3kvz h PRO 59 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 3kvz h PRO 59 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3kvz h PRO 59 CO -0.36 0.00 -0.47 0.66 -0.21 0.00 0.00 178.00 177.63 3kvz n TYR 60 N -3.15 0.00 -2.84 0.65 4.01 0.19 -4.94 117.16 111.08 3kvz n TYR 60 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.38 3kvz n TYR 60 Cb 0.08 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 3kvz n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kvz s LEU 61 N -2.51 3.93 0.77 7.72 1.43 -1.16 -5.06 118.68 123.79 3kvz s LEU 61 Ca 0.19 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 54.74 3kvz s LEU 61 Cb 0.18 -4.42 0.05 0.00 0.03 0.00 0.00 46.19 42.03 3kvz s LEU 61 CO 0.58 -0.35 1.11 -1.61 0.23 0.00 0.00 176.35 176.30 3kvz s GLU 62 N -3.26 2.34 0.74 1.70 0.41 -1.26 -5.00 118.70 114.37 3kvz s GLU 62 Ca 0.60 0.50 -0.15 0.00 -0.41 0.00 0.00 54.97 55.51 3kvz s GLU 62 Cb -0.09 -1.96 0.04 0.00 -1.78 0.00 0.00 34.13 30.34 3kvz s GLU 62 CO 0.16 -1.41 1.23 -2.14 -0.49 0.00 0.00 175.26 172.61 3kvz s PRO 63 N -5.28 2.05 0.00 0.39 0.02 -1.26 -2.56 135.00 128.36 3kvz s PRO 63 Ca 0.60 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.45 3kvz s PRO 63 Cb -0.13 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3kvz s PRO 63 CO 0.53 -1.92 0.00 0.41 -0.33 0.00 0.00 177.00 175.69 3kvz n GLY 64 N 0.54 0.75 3.81 0.52 0.00 -1.26 -4.99 105.19 104.56 3kvz n GLY 64 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3kvz n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kvz s GLU 65 N -0.31 4.15 0.00 1.61 2.02 -1.06 -0.85 118.70 124.26 3kvz s GLU 65 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.65 3kvz s GLU 65 Cb 0.00 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.98 3kvz s GLU 65 CO 0.00 0.62 0.00 0.41 0.02 0.00 0.00 175.26 176.31 3kvz n GLY 66 N 1.82 6.28 3.28 -1.39 0.00 0.60 -4.82 105.19 110.96 3kvz n GLY 66 Ca -0.11 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 3kvz n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvz s SER 67 N 1.00 -0.01 0.02 1.61 1.04 -1.26 -0.29 113.70 115.82 3kvz s SER 67 Ca 0.00 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 3kvz s SER 67 Cb 0.00 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 3kvz s SER 67 CO 0.00 -0.82 -0.01 -0.76 0.98 0.00 0.00 173.24 172.63 3kvz s LEU 68 N -2.87 2.22 0.06 2.42 1.43 -0.77 -4.90 118.68 116.26 3kvz s LEU 68 Ca 0.07 -0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 52.34 3kvz s LEU 68 Cb 0.03 0.17 -0.05 0.00 0.03 0.00 0.00 46.19 46.37 3kvz s LEU 68 CO -0.08 -0.36 0.84 -0.83 0.23 0.00 0.00 176.35 176.15 3kvz s GLY 69 N -1.71 2.86 -0.00 -3.19 0.00 -1.26 -1.37 107.32 102.64 3kvz s GLY 69 Ca -0.12 0.39 0.06 0.00 0.00 0.00 0.00 44.72 45.05 3kvz s GLY 69 CO -0.02 1.27 0.22 -1.30 0.00 0.00 0.00 173.10 173.26 3kvz n THR 70 N 2.96 0.00 -3.51 0.90 -2.24 0.15 -4.92 114.28 107.62 3kvz n THR 70 Ca -0.00 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 3kvz n THR 70 Cb 0.50 0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 3kvz n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvz s ALA 71 N -1.69 -1.76 -0.05 6.98 0.00 -1.00 -4.95 121.76 119.30 3kvz s ALA 71 Ca 0.01 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 3kvz s ALA 71 Cb 0.04 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3kvz s ALA 71 CO 0.23 -0.44 0.12 -1.50 0.00 0.00 0.00 175.76 174.17 3kvz s ILE 72 N -1.64 -0.03 -0.36 0.00 1.10 -1.26 -1.00 121.20 118.01 3kvz s ILE 72 Ca -0.08 0.12 0.00 0.00 -0.51 0.00 0.00 60.65 60.18 3kvz s ILE 72 Cb -0.00 -0.19 0.14 0.00 0.15 0.00 0.00 42.46 42.55 3kvz s ILE 72 CO 0.05 0.05 0.21 0.00 -2.11 0.00 0.00 174.94 173.14 3kvz s VAL 74 N 1.05 0.43 0.20 0.00 -7.23 -1.26 -2.06 120.40 111.52 3kvz s VAL 74 Ca 0.17 -1.12 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 3kvz s VAL 74 Cb -0.23 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 3kvz s VAL 74 CO -0.02 -0.47 0.35 0.42 -0.31 0.00 0.00 175.10 175.08 3kvz s THR 75 N -1.63 5.26 -0.33 5.32 -4.23 -0.54 -4.95 115.64 114.54 3kvz s THR 75 Ca -0.10 -0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 3kvz s THR 75 Cb -0.08 -3.77 0.11 0.00 1.34 0.00 0.00 72.50 70.09 3kvz s THR 75 CO -0.01 -0.20 0.13 -2.28 -0.54 0.00 0.00 174.62 171.73 3kvz s HIS 76 N -1.87 1.38 -0.70 3.99 2.46 -1.26 -3.03 115.29 116.26 3kvz s HIS 76 Ca 0.36 -1.65 0.06 0.00 0.47 0.00 0.00 55.06 54.30 3kvz s HIS 76 Cb -0.10 -1.50 0.04 0.00 -0.13 0.00 0.00 32.58 30.88 3kvz s HIS 76 CO 0.29 -0.85 0.64 0.25 -2.47 0.00 0.00 174.74 172.60 3kvz n THR 77 N 4.68 0.00 -3.92 0.89 -2.24 0.14 -4.94 114.28 108.88 3kvz n THR 77 Ca -0.00 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.18 3kvz n THR 77 Cb 0.40 1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 3kvz n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvz s ALA 78 N -0.62 0.08 0.13 6.98 0.00 -1.23 -5.02 121.76 122.08 3kvz s ALA 78 Ca 0.06 -0.16 -0.07 0.00 0.00 0.00 0.00 51.96 51.79 3kvz s ALA 78 Cb 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 3kvz s ALA 78 CO 0.09 -0.02 0.41 0.00 0.00 0.00 0.00 175.76 176.24 3kvz s ALA 79 N -0.35 3.73 -0.19 0.00 0.00 -1.26 -4.78 121.76 118.91 3kvz s ALA 79 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3kvz s ALA 79 Cb -0.03 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.91 3kvz s ALA 79 CO -0.00 0.61 -0.06 0.99 0.00 0.00 0.00 175.76 177.29 3kvz s THR 80 N -1.59 1.35 0.57 0.00 2.01 -1.26 -4.98 115.64 111.75 3kvz s THR 80 Ca 0.39 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 3kvz s THR 80 Cb -0.13 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 3kvz s THR 80 CO 0.22 0.07 1.05 -2.16 -0.69 0.00 0.00 174.62 173.10 3kvz s PRO 81 N 1.51 3.45 0.83 4.92 0.04 -1.26 0.11 135.00 144.60 3kvz s PRO 81 Ca -0.02 1.21 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 3kvz s PRO 81 Cb -0.17 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.37 3kvz s PRO 81 CO -0.07 -0.71 0.84 -0.35 0.04 0.00 0.00 177.00 176.75 3kvz n PRO 82 N -1.83 0.06 0.00 0.56 -0.04 -1.26 -3.45 135.00 129.03 3kvz n PRO 82 Ca 0.09 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3kvz n PRO 82 Cb 0.53 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 3kvz n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kvz n GLY 83 N 1.04 3.06 3.72 0.55 0.00 -0.02 -4.99 105.19 108.55 3kvz n GLY 83 Ca 0.11 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 3kvz n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvz s LEU 84 N 0.00 3.32 -0.26 0.99 1.43 -1.22 -4.61 118.68 118.33 3kvz s LEU 84 Ca 0.00 2.34 -0.15 0.00 -1.03 0.00 0.00 54.13 55.29 3kvz s LEU 84 Cb 0.00 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 3kvz s LEU 84 CO 0.00 -2.23 0.35 -0.89 0.23 0.00 0.00 176.35 173.81 3kvz s THR 85 N -2.00 5.19 -0.32 5.49 2.01 -1.26 -1.41 115.64 123.35 3kvz s THR 85 Ca 0.74 0.54 -0.20 0.00 0.31 0.00 0.00 61.69 63.08 3kvz s THR 85 Cb -0.29 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 3kvz s THR 85 CO 0.45 0.18 0.61 -0.69 -0.69 0.00 0.00 174.62 174.49 3kvz s VAL 86 N 1.91 4.94 -0.22 3.82 1.01 -0.00 -3.67 120.40 128.19 3kvz s VAL 86 Ca 0.15 0.75 -0.10 0.00 0.00 0.00 0.00 61.98 62.78 3kvz s VAL 86 Cb -0.16 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3kvz s VAL 86 CO 0.09 -0.17 0.15 -0.89 0.00 0.00 0.00 175.10 174.29 3kvz s THR 87 N 2.59 5.38 -0.14 3.92 2.01 0.16 -1.57 115.64 127.98 3kvz s THR 87 Ca 0.24 0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.44 3kvz s THR 87 Cb -0.15 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 3kvz s THR 87 CO 0.12 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.62 3kvz s VAL 88 N 0.73 2.93 -0.13 3.82 1.01 -0.44 -1.37 120.40 126.95 3kvz s VAL 88 Ca 0.08 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3kvz s VAL 88 Cb -0.12 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3kvz s VAL 88 CO 0.02 0.52 -0.05 -0.89 0.00 0.00 0.00 175.10 174.69 3kvz s THR 89 N 0.54 3.79 -0.15 3.92 2.01 0.59 -1.41 115.64 124.94 3kvz s THR 89 Ca -0.09 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.50 3kvz s THR 89 Cb -0.16 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 3kvz s THR 89 CO 0.04 0.53 -0.14 0.00 -0.69 0.00 0.00 174.62 174.36 3kvz s ALA 90 N -0.02 2.55 -0.10 7.40 0.00 -0.31 -1.22 121.76 130.06 3kvz s ALA 90 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3kvz s ALA 90 Cb -0.13 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 3kvz s ALA 90 CO 0.03 0.07 -0.17 -2.00 0.00 0.00 0.00 175.76 173.68 3kvz s GLU 91 N 0.65 3.05 0.08 0.00 2.12 -0.08 -0.62 118.70 123.91 3kvz s GLU 91 Ca -0.07 -0.76 -0.31 0.00 0.36 0.00 0.00 54.97 54.19 3kvz s GLU 91 Cb -0.16 -2.45 -0.06 0.00 0.26 0.00 0.00 34.13 31.72 3kvz s GLU 91 CO 0.02 0.30 1.24 -1.17 -0.54 0.00 0.00 175.26 175.11 3kvz s LEU 92 N 0.09 4.38 -0.20 2.70 2.96 -0.47 -1.01 118.68 127.12 3kvz s LEU 92 Ca -0.08 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 3kvz s LEU 92 Cb -0.15 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 3kvz s LEU 92 CO 0.05 -0.50 -0.19 0.54 -1.32 0.00 0.00 176.35 174.94 3kvz n ARG 93 N 3.80 0.49 -3.43 1.98 1.74 0.21 -0.92 116.66 120.52 3kvz n ARG 93 Ca 0.09 0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 57.17 3kvz n ARG 93 Cb 0.45 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 3kvz n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kvz s SER 94 N -6.03 -0.57 -0.11 0.55 1.04 -1.15 -4.85 113.70 102.58 3kvz s SER 94 Ca -0.27 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3kvz s SER 94 Cb 0.07 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3kvz s SER 94 CO 0.45 -0.92 -0.09 -0.69 0.98 0.00 0.00 173.24 172.96 3kvz s VAL 95 N -3.51 1.09 -0.37 5.02 1.01 -1.26 -1.83 120.40 120.56 3kvz s VAL 95 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3kvz s VAL 95 Cb -0.01 -1.08 0.11 0.00 0.00 0.00 0.00 36.38 35.40 3kvz s VAL 95 CO -0.11 0.37 0.11 -1.61 0.00 0.00 0.00 175.10 173.87 3kvz s GLU 96 N 1.52 1.31 7.56 2.72 2.02 0.14 -4.99 118.70 128.98 3kvz s GLU 96 Ca 0.02 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.24 3kvz s GLU 96 Cb -0.13 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.31 3kvz s GLU 96 CO -0.07 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.62 3kvz n GLY 97 N 4.18 3.94 0.08 -1.39 0.00 -1.26 -1.86 105.19 108.88 3kvz n GLY 97 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kvz n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvz n ARG 98 N 14.00 1.02 -5.02 1.61 1.74 -1.26 -4.80 116.66 123.95 3kvz n ARG 98 Ca 0.00 -0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.73 3kvz n ARG 98 Cb 0.00 -1.07 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 3kvz n ARG 98 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kvz s ARG 99 N -1.86 2.81 0.03 5.56 3.00 -0.78 0.47 118.95 128.18 3kvz s ARG 99 Ca 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 55.73 54.99 3kvz s ARG 99 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 34.95 32.57 3kvz s ARG 99 CO 0.00 0.39 -0.10 -0.51 0.00 0.00 0.00 175.30 175.08 3kvz s LEU 100 N -0.15 2.16 -0.04 2.53 1.02 -0.17 -0.69 118.68 123.35 3kvz s LEU 100 Ca -0.02 -0.40 0.07 0.00 0.02 0.00 0.00 54.13 53.80 3kvz s LEU 100 Cb -0.14 -0.40 -0.02 0.00 0.02 0.00 0.00 46.19 45.65 3kvz s LEU 100 CO 0.04 -0.03 -0.25 -0.44 0.02 0.00 0.00 176.35 175.69 3kvz s SER 101 N -1.02 3.07 0.03 2.29 0.01 -0.76 -0.88 113.70 116.44 3kvz s SER 101 Ca -0.02 -0.49 0.08 0.00 1.31 0.00 0.00 55.95 56.83 3kvz s SER 101 Cb -0.07 -0.58 -0.02 0.00 0.21 0.00 0.00 66.02 65.56 3kvz s SER 101 CO 0.01 0.29 -0.22 0.26 0.41 0.00 0.00 173.24 173.98 3kvz s TRP 102 N -0.40 1.96 -0.13 2.43 0.52 0.64 -0.62 118.94 123.34 3kvz s TRP 102 Ca 0.04 -0.38 -0.25 0.00 0.02 0.00 0.00 56.10 55.53 3kvz s TRP 102 Cb -0.12 -1.20 -0.02 0.00 -1.15 0.00 0.00 33.47 30.98 3kvz s TRP 102 CO 0.01 0.06 0.78 0.50 0.02 0.00 0.00 176.95 178.32 3kvz s ARG 103 N -0.99 4.35 0.10 4.98 3.52 -0.18 -0.62 118.95 130.11 3kvz s ARG 103 Ca 0.09 0.96 0.10 0.00 -0.13 0.00 0.00 55.73 56.75 3kvz s ARG 103 Cb -0.09 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 3kvz s ARG 103 CO 0.01 -0.17 -0.25 0.14 -0.81 0.00 0.00 175.30 174.21 3kvz s VAL 104 N 1.61 2.32 -0.17 7.11 -7.23 0.91 -0.90 120.40 124.04 3kvz s VAL 104 Ca 0.38 -1.60 -0.13 0.00 -1.81 0.00 0.00 61.98 58.81 3kvz s VAL 104 Cb -0.17 -1.99 0.05 0.00 0.56 0.00 0.00 36.38 34.82 3kvz s VAL 104 CO 0.15 0.18 0.45 -0.55 -0.31 0.00 0.00 175.10 175.02 3kvz s SER 105 N -1.81 -0.51 -0.00 4.85 0.15 -0.36 -1.16 113.70 114.86 3kvz s SER 105 Ca 0.14 0.93 0.02 0.00 0.70 0.00 0.00 55.95 57.73 3kvz s SER 105 Cb -0.10 0.89 -0.00 0.00 -1.71 0.00 0.00 66.02 65.09 3kvz s SER 105 CO 0.05 -0.17 -0.05 0.00 1.20 0.00 0.00 173.24 174.27 3kvz s ALA 106 N 0.71 0.41 0.04 5.45 0.00 0.05 -0.30 121.76 128.11 3kvz s ALA 106 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.69 3kvz s ALA 106 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3kvz s ALA 106 CO -0.05 0.09 -0.05 -3.38 0.00 0.00 0.00 175.76 172.38 3kvz s HIS 107 N -0.17 0.46 -0.25 0.00 -3.43 -0.47 0.15 115.29 111.58 3kvz s HIS 107 Ca 0.01 -0.64 0.13 0.00 -0.80 0.00 0.00 55.06 53.77 3kvz s HIS 107 Cb -0.02 -0.30 0.69 0.00 -1.43 0.00 0.00 32.58 31.51 3kvz s HIS 107 CO -0.00 -0.19 1.65 -0.40 -2.00 0.00 0.00 174.74 173.80 3kvz n ASP 108 N 1.20 4.65 0.00 7.38 5.68 0.32 -0.67 116.55 135.12 3kvz n ASP 108 Ca -0.21 -3.12 0.00 0.00 -0.50 0.00 0.00 54.79 50.96 3kvz n ASP 108 Cb 0.56 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 3kvz n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kvz n GLY 109 N -0.11 2.52 1.07 6.12 0.00 -1.24 -4.00 105.19 109.54 3kvz n GLY 109 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3kvz n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kvz n VAL 110 N -2.00 0.62 -4.41 1.61 0.31 -1.26 -5.08 118.33 108.12 3kvz n VAL 110 Ca 0.00 0.21 -0.26 0.00 -0.01 0.00 0.00 64.34 64.27 3kvz n VAL 110 Cb 0.00 -1.50 -0.12 0.00 -0.91 0.00 0.00 33.84 31.31 3kvz n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kvz s ASP 111 N -5.50 3.32 0.21 4.52 1.01 -1.26 -5.10 116.67 113.86 3kvz s ASP 111 Ca 0.00 -0.86 -0.31 0.00 0.71 0.00 0.00 52.55 52.09 3kvz s ASP 111 Cb 0.00 -0.24 -0.10 0.00 1.01 0.00 0.00 42.92 43.59 3kvz s ASP 111 CO 0.00 0.10 1.47 -0.70 0.21 0.00 0.00 175.17 176.25 3kvz s GLU 112 N -2.68 4.25 -0.05 8.23 2.56 -1.26 -0.52 118.70 129.23 3kvz s GLU 112 Ca 0.20 2.30 0.08 0.00 0.00 0.00 0.00 54.97 57.55 3kvz s GLU 112 Cb -0.08 -3.13 -0.11 0.00 2.00 0.00 0.00 34.13 32.81 3kvz s GLU 112 CO 0.09 -0.48 0.09 0.44 -0.56 0.00 0.00 175.26 174.84 3kvz n ILE 113 N 2.92 0.34 -3.56 -3.70 -5.35 0.12 -4.26 119.36 105.87 3kvz n ILE 113 Ca 0.09 -0.28 -0.08 0.00 -0.27 0.00 0.00 62.75 62.21 3kvz n ILE 113 Cb 0.40 -0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 37.90 3kvz n ILE 113 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kvz s GLY 114 N -3.60 -0.30 0.27 3.28 0.00 -1.09 0.26 107.32 106.14 3kvz s GLY 114 Ca -0.04 1.68 -0.19 0.00 0.00 0.00 0.00 44.72 46.17 3kvz s GLY 114 CO 0.34 0.70 0.67 -1.35 0.00 0.00 0.00 173.10 173.46 3kvz s SER 115 N -1.79 -0.23 0.00 1.64 1.04 -1.17 -0.77 113.70 112.43 3kvz s SER 115 Ca 0.04 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3kvz s SER 115 Cb -0.01 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3kvz s SER 115 CO -0.04 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.48 3kvz n GLY 116 N -0.44 -0.62 3.37 7.32 0.00 -0.31 -1.46 105.19 113.04 3kvz n GLY 116 Ca -0.04 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 3kvz n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvz s THR 117 N -2.71 1.99 -0.08 2.61 -4.23 -0.87 -0.06 115.64 112.29 3kvz s THR 117 Ca 0.00 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.37 3kvz s THR 117 Cb 0.00 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.86 3kvz s THR 117 CO 0.00 -0.38 0.17 -2.28 -0.54 0.00 0.00 174.62 171.59 3kvz s HIS 118 N -2.33 -0.21 -0.09 3.99 5.04 0.21 -1.22 115.29 120.68 3kvz s HIS 118 Ca 0.21 0.56 0.00 0.00 -1.54 0.00 0.00 55.06 54.29 3kvz s HIS 118 Cb -0.05 -0.05 -0.03 0.00 0.04 0.00 0.00 32.58 32.50 3kvz s HIS 118 CO 0.09 -0.19 -0.07 -1.21 -2.34 0.00 0.00 174.74 171.02 3kvz s GLU 119 N 1.21 2.96 0.18 2.88 8.01 -0.17 -0.26 118.70 133.50 3kvz s GLU 119 Ca -0.09 -0.56 0.10 0.00 0.01 0.00 0.00 54.97 54.43 3kvz s GLU 119 Cb -0.11 -2.64 -0.04 0.00 -4.31 0.00 0.00 34.13 27.02 3kvz s GLU 119 CO -0.07 0.55 -0.21 1.03 0.01 0.00 0.00 175.26 176.57 3kvz s ARG 120 N -0.49 1.39 -0.13 1.61 0.52 -0.06 0.32 118.95 122.11 3kvz s ARG 120 Ca 0.07 -1.46 0.03 0.00 -0.52 0.00 0.00 55.73 53.85 3kvz s ARG 120 Cb -0.12 -1.59 0.01 0.00 0.52 0.00 0.00 34.95 33.77 3kvz s ARG 120 CO 0.02 0.34 -0.22 0.00 0.02 0.00 0.00 175.30 175.46 3kvz s ALA 121 N -1.81 2.26 0.16 2.13 0.00 -0.47 -1.00 121.76 123.02 3kvz s ALA 121 Ca 0.18 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 3kvz s ALA 121 Cb -0.07 -0.98 -0.08 0.00 0.00 0.00 0.00 23.12 21.98 3kvz s ALA 121 CO 0.08 0.02 1.37 0.08 0.00 0.00 0.00 175.76 177.32 3kvz s VAL 122 N 0.74 3.19 0.13 0.00 1.01 0.18 -1.85 120.40 123.79 3kvz s VAL 122 Ca -0.09 0.91 0.07 0.00 0.00 0.00 0.00 61.98 62.87 3kvz s VAL 122 Cb -0.16 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3kvz s VAL 122 CO -0.00 0.10 -0.16 0.27 0.00 0.00 0.00 175.10 175.31 3kvz s ILE 123 N 0.68 1.49 -0.38 2.22 -4.36 0.61 -4.92 121.20 116.53 3kvz s ILE 123 Ca 0.62 -1.71 -0.23 0.00 -0.26 0.00 0.00 60.65 59.06 3kvz s ILE 123 Cb -0.37 -1.58 0.01 0.00 1.25 0.00 0.00 42.46 41.77 3kvz s ILE 123 CO 0.34 -0.33 0.79 -2.28 0.24 0.00 0.00 174.94 173.71 3kvz s HIS 124 N -1.91 3.08 0.10 1.37 5.65 -1.26 -0.29 115.29 122.03 3kvz s HIS 124 Ca 0.09 0.48 -0.25 0.00 0.25 0.00 0.00 55.06 55.64 3kvz s HIS 124 Cb -0.06 -3.48 -0.11 0.00 -1.18 0.00 0.00 32.58 27.75 3kvz s HIS 124 CO 0.04 -0.80 1.69 -0.07 -0.65 0.00 0.00 174.74 174.96 3kvz h LEU 125 N 9.85 -0.31 -0.46 8.88 3.38 -1.34 -0.03 115.31 135.29 3kvz h LEU 125 Ca -0.25 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.82 3kvz h LEU 125 Cb 1.09 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 3kvz h LEU 125 CO 0.93 -0.17 0.16 -0.33 0.09 0.00 0.00 178.44 179.11 3kvz h GLU 126 N -0.23 0.32 0.41 1.13 5.08 -1.95 -0.10 114.58 119.24 3kvz h GLU 126 Ca 0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kvz h GLU 126 Cb 0.24 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3kvz h GLU 126 CO -0.06 0.21 -0.20 0.87 -1.00 0.00 0.00 179.01 178.84 3kvz h LYS 127 N 0.33 -0.53 0.21 2.33 1.57 -1.88 -1.60 116.57 117.01 3kvz h LYS 127 Ca 0.22 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3kvz h LYS 127 Cb 0.22 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3kvz h LYS 127 CO -0.22 -0.35 -0.35 0.35 -0.57 0.00 0.00 179.45 178.31 3kvz h PHE 128 N -0.56 -0.97 -0.64 -1.35 3.57 -0.73 -1.22 116.94 115.05 3kvz h PHE 128 Ca -0.06 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.60 3kvz h PHE 128 Cb 0.42 0.40 -0.11 0.00 2.79 0.00 0.00 35.95 39.46 3kvz h PHE 128 CO -0.05 -0.47 0.04 -0.91 -2.23 0.00 0.00 178.31 174.69 3kvz h ASN 129 N -0.64 -0.21 -0.46 0.41 2.35 -1.05 0.22 115.58 116.20 3kvz h ASN 129 Ca 0.01 0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3kvz h ASN 129 Cb 0.63 0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 3kvz h ASN 129 CO -0.16 -0.10 0.03 0.00 -1.65 0.00 0.00 177.43 175.56 3kvz h ALA 130 N 1.57 1.07 -0.42 -0.83 0.00 -0.92 -0.87 119.26 118.87 3kvz h ALA 130 Ca 0.34 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3kvz h ALA 130 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3kvz h ALA 130 CO -0.52 0.59 0.01 0.87 0.00 0.00 0.00 179.25 180.20 3kvz h LYS 131 N 0.81 0.73 -0.43 0.00 1.57 0.06 -3.21 116.57 116.10 3kvz h LYS 131 Ca 0.16 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3kvz h LYS 131 Cb 0.44 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3kvz h LYS 131 CO 0.02 0.80 0.21 0.28 -0.57 0.00 0.00 179.45 180.19 3kvz h VAL 132 N 0.56 0.97 -0.04 0.50 2.07 -0.29 -1.94 116.25 118.08 3kvz h VAL 132 Ca 0.12 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kvz h VAL 132 Cb 0.47 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3kvz h VAL 132 CO 0.02 0.08 0.09 0.03 0.02 0.00 0.00 177.57 177.81 3kvz h ARG 133 N 0.42 0.00 0.00 1.57 -0.00 -1.17 -2.17 114.38 113.03 3kvz h ARG 133 Ca 0.18 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.66 3kvz h ARG 133 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.06 3kvz h ARG 133 CO -0.13 0.00 -0.40 1.96 0.00 0.00 0.00 179.97 181.40 3kvz h GLN 134 N 0.00 0.00 -0.18 0.04 4.20 -1.35 -2.24 115.11 115.58 3kvz h GLN 134 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3kvz h GLN 134 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3kvz h GLN 134 CO -0.00 0.03 0.00 0.36 -0.67 0.00 0.00 178.83 178.55 3kvz n LYS 135 N -2.95 1.75 -2.82 1.46 2.85 -0.83 -4.95 118.16 112.68 3kvz n LYS 135 Ca 0.02 -1.13 -0.41 0.00 -1.05 0.00 0.00 58.31 55.75 3kvz n LYS 135 Cb 0.55 -1.39 -0.04 0.00 -0.65 0.00 0.00 35.03 33.50 3kvz n LYS 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3kvz s THR 136 N -1.77 4.66 -2.00 0.58 2.01 -0.85 -5.14 115.64 113.14 3kvz s THR 136 Ca 0.32 1.91 0.19 0.00 0.31 0.00 0.00 61.69 64.42 3kvz s THR 136 Cb 0.17 -4.25 0.53 0.00 0.01 0.00 0.00 72.50 68.97 3kvz s THR 136 CO 0.26 0.30 1.51 -2.65 -0.69 0.00 0.00 174.62 173.35