#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 2.71 0.06 0.03 1.70 -1.26 -5.02 118.95 117.18 3kvz s ARG 6 Ca 0.00 -1.05 -0.37 0.00 -0.47 0.00 0.00 55.73 53.85 3kvz s ARG 6 Cb 0.00 -2.89 -0.19 0.00 -0.57 0.00 0.00 34.95 31.30 3kvz s ARG 6 CO 0.00 -0.41 0.97 0.28 -1.08 0.00 0.00 175.30 175.06 3kvz n VAL 7 N 4.60 0.50 -0.18 4.99 0.31 -1.26 -1.65 118.33 125.64 3kvz n VAL 7 Ca -0.17 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3kvz n VAL 7 Cb 0.46 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 1.71 1.51 3.76 2.92 0.00 0.30 -4.98 105.19 110.42 3kvz n GLY 8 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.39 4.29 -0.12 1.61 1.03 -0.66 -4.73 118.70 119.72 3kvz s GLU 9 Ca 0.00 2.30 -0.01 0.00 0.03 0.00 0.00 54.97 57.29 3kvz s GLU 9 Cb 0.00 -3.07 -0.02 0.00 -0.80 0.00 0.00 34.13 30.24 3kvz s GLU 9 CO 0.00 -0.32 -0.09 1.03 -1.33 0.00 0.00 175.26 174.55 3kvz s ARG 10 N -1.32 3.31 -0.04 -4.83 0.52 -1.26 -1.23 118.95 114.09 3kvz s ARG 10 Ca 0.53 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 55.18 3kvz s ARG 10 Cb -0.41 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 3kvz s ARG 10 CO 0.51 0.33 -0.19 0.12 0.02 0.00 0.00 175.30 176.08 3kvz s PHE 11 N 0.08 2.56 0.08 -0.53 5.36 -0.50 -4.99 117.98 120.04 3kvz s PHE 11 Ca -0.03 -0.34 0.06 0.00 -0.96 0.00 0.00 56.93 55.66 3kvz s PHE 11 Cb -0.14 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 40.91 3kvz s PHE 11 CO 0.04 0.05 -0.16 0.95 -1.46 0.00 0.00 175.22 174.63 3kvz s THR 12 N -0.57 1.30 -0.06 0.12 -4.23 -1.26 -1.20 115.64 109.73 3kvz s THR 12 Ca 0.08 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.19 3kvz s THR 12 Cb -0.11 -1.22 0.04 0.00 1.34 0.00 0.00 72.50 72.55 3kvz s THR 12 CO 0.01 -0.17 0.11 -2.28 -0.54 0.00 0.00 174.62 171.75 3kvz s HIS 13 N -1.24 -0.09 0.05 3.99 2.46 0.22 -5.00 115.29 115.68 3kvz s HIS 13 Ca 0.01 0.41 0.03 0.00 0.47 0.00 0.00 55.06 55.98 3kvz s HIS 13 Cb -0.10 -0.23 -0.04 0.00 -0.13 0.00 0.00 32.58 32.09 3kvz s HIS 13 CO 0.03 -0.18 -0.01 -0.51 -2.47 0.00 0.00 174.74 171.60 3kvz s ASP 14 N 1.61 5.00 -0.18 9.88 1.01 -1.26 -1.17 116.67 131.56 3kvz s ASP 14 Ca -0.04 -0.12 -0.05 0.00 0.71 0.00 0.00 52.55 53.05 3kvz s ASP 14 Cb -0.12 -1.23 0.09 0.00 1.01 0.00 0.00 42.92 42.67 3kvz s ASP 14 CO -0.05 0.22 0.35 0.12 0.21 0.00 0.00 175.17 176.02 3kvz s PHE 15 N -1.19 -0.65 -0.01 4.23 5.36 0.34 -4.98 117.98 121.08 3kvz s PHE 15 Ca 0.23 1.14 -0.30 0.00 -0.96 0.00 0.00 56.93 57.03 3kvz s PHE 15 Cb -0.12 0.10 -0.04 0.00 -0.34 0.00 0.00 43.02 42.62 3kvz s PHE 15 CO 0.14 -0.49 1.24 0.08 -1.46 0.00 0.00 175.22 174.73 3kvz s VAL 16 N 2.52 4.07 -0.38 3.12 1.01 -1.26 -0.57 120.40 128.91 3kvz s VAL 16 Ca 0.02 1.44 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 3kvz s VAL 16 Cb -0.13 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3kvz s VAL 16 CO -0.12 0.03 1.44 -0.69 0.00 0.00 0.00 175.10 175.77 3kvz s VAL 17 N 1.89 3.89 0.57 2.92 1.01 0.01 -4.93 120.40 125.75 3kvz s VAL 17 Ca 0.58 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 3kvz s VAL 17 Cb -0.28 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 3kvz s VAL 17 CO 0.25 -0.67 0.88 -2.16 0.00 0.00 0.00 175.10 173.40 3kvz s PRO 18 N 4.88 3.05 0.58 2.72 0.04 -1.26 -0.27 135.00 144.75 3kvz s PRO 18 Ca 0.63 0.04 0.28 0.00 0.04 0.00 0.00 61.00 61.99 3kvz s PRO 18 Cb -0.15 -2.29 1.71 0.00 0.04 0.00 0.00 34.50 33.81 3kvz s PRO 18 CO 0.31 -0.60 2.18 -1.35 0.04 0.00 0.00 177.00 177.58 3kvz h PRO 19 N -0.10 0.00 -0.60 0.56 0.11 -1.95 -2.67 132.00 127.35 3kvz h PRO 19 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kvz h PRO 19 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kvz h PRO 19 CO 0.61 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.01 3kvz n HIS 20 N -3.88 0.47 -0.77 0.65 1.44 -1.26 -3.49 115.22 108.39 3kvz n HIS 20 Ca -0.01 -0.18 0.07 0.00 -2.01 0.00 0.00 57.72 55.59 3kvz n HIS 20 Cb 0.19 -0.13 0.16 0.00 0.12 0.00 0.00 29.99 30.34 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 0.16 2.32 -2.25 -1.40 4.76 -1.01 -4.80 118.16 115.94 3kvz n LYS 21 Ca 0.08 -2.44 -0.26 0.00 -2.87 0.00 0.00 58.31 52.82 3kvz n LYS 21 Cb 0.38 -1.52 0.11 0.00 -1.84 0.00 0.00 35.03 32.17 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 -2.34 2.18 0.23 -0.18 -4.23 -1.23 -1.98 115.64 108.09 3kvz s THR 22 Ca 0.30 -0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 60.42 3kvz s THR 22 Cb 0.24 -2.87 0.20 0.00 1.34 0.00 0.00 72.50 71.41 3kvz s THR 22 CO 0.06 0.00 1.88 1.62 -0.54 0.00 0.00 174.62 177.64 3kvz h VAL 23 N -0.83 1.24 0.00 2.29 3.04 -1.60 -2.06 116.25 118.33 3kvz h VAL 23 Ca -0.42 -0.50 -0.02 0.00 -1.01 0.00 0.00 66.70 64.75 3kvz h VAL 23 Cb 1.28 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 3kvz h VAL 23 CO 0.49 0.24 -0.09 0.08 -1.01 0.00 0.00 177.57 177.28 3kvz h ARG 24 N 1.20 0.00 0.00 4.17 0.11 -1.86 -2.55 114.38 115.45 3kvz h ARG 24 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 3kvz h ARG 24 Cb -0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.01 3kvz h ARG 24 CO -0.06 0.09 -0.24 0.72 0.10 0.00 0.00 179.97 180.58 3kvz n HIS 25 N -3.83 0.47 -0.03 4.08 8.25 -0.78 -3.17 115.22 120.22 3kvz n HIS 25 Ca -0.02 0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.45 3kvz n HIS 25 Cb 0.19 -0.66 -0.07 0.00 1.12 0.00 0.00 29.99 30.57 3kvz n HIS 25 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kvz h LEU 26 N 0.00 0.17 -7.18 2.41 5.85 -1.43 -3.36 115.31 111.77 3kvz h LEU 26 Ca 0.00 -0.33 -0.63 0.00 0.84 0.00 0.00 57.88 57.76 3kvz h LEU 26 Cb 0.65 -0.05 -0.41 0.00 0.37 0.00 0.00 40.66 41.22 3kvz h LEU 26 CO 0.00 0.46 -0.66 -0.31 -0.34 0.00 0.00 178.44 177.60 3kvz s TYR 27 N -4.88 2.89 0.46 1.25 2.02 -1.25 -4.93 117.35 112.90 3kvz s TYR 27 Ca -0.14 -3.00 0.32 0.00 -0.37 0.00 0.00 57.07 53.88 3kvz s TYR 27 Cb 0.05 -2.49 1.70 0.00 -0.40 0.00 0.00 41.96 40.82 3kvz s TYR 27 CO 0.70 -0.71 2.15 -1.35 -1.57 0.00 0.00 175.55 174.77 3kvz h PRO 28 N 6.27 0.00 -0.98 -1.71 0.11 -1.70 -2.11 132.00 131.88 3kvz h PRO 28 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 3kvz h PRO 28 Cb 0.87 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.88 3kvz h PRO 28 CO 0.63 0.06 0.21 -0.85 -0.21 0.00 0.00 178.00 177.85 3kvz n GLU 29 N -3.50 1.57 -3.97 1.05 0.00 -1.26 -4.80 120.64 109.74 3kvz n GLU 29 Ca -0.02 -1.11 -0.34 0.00 0.00 0.00 0.00 57.16 55.69 3kvz n GLU 29 Cb 0.19 -1.47 -0.15 0.00 0.00 0.00 0.00 31.44 30.01 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 0.11 4.03 0.22 -1.84 0.15 -0.79 -4.98 113.70 110.60 3kvz s SER 30 Ca 0.21 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 56.30 3kvz s SER 30 Cb 0.17 -1.66 0.21 0.00 -1.71 0.00 0.00 66.02 63.04 3kvz s SER 30 CO 0.04 -0.04 1.55 -0.65 1.20 0.00 0.00 173.24 175.34 3kvz h PRO 31 N 8.05 0.38 -0.03 5.44 0.11 -1.89 -2.63 132.00 141.42 3kvz h PRO 31 Ca -0.40 -0.24 -0.03 0.00 0.11 0.00 0.00 66.00 65.43 3kvz h PRO 31 Cb 1.14 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3kvz h PRO 31 CO 0.61 0.83 -0.13 0.93 -0.21 0.00 0.00 178.00 180.03 3kvz h GLU 32 N 0.29 0.05 0.00 1.05 3.07 -1.97 -2.98 114.58 114.09 3kvz h GLU 32 Ca 0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3kvz h GLU 32 Cb 1.06 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 3kvz h GLU 32 CO 0.09 0.18 -1.32 1.19 -1.40 0.00 0.00 179.01 177.76 3kvz n PHE 33 N -4.36 0.75 0.27 4.33 0.99 -1.20 -4.39 117.46 113.85 3kvz n PHE 33 Ca -0.02 0.23 0.16 0.00 -0.00 0.00 0.00 57.45 57.81 3kvz n PHE 33 Cb 0.21 -0.89 0.85 0.00 -1.00 0.00 0.00 39.48 38.65 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 1.87 1.10 -0.21 4.37 0.00 -1.30 0.90 119.26 125.98 3kvz h ALA 34 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kvz h ALA 34 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kvz h ALA 34 CO 0.01 -0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.55 3kvz n GLU 35 N -2.67 2.66 -1.81 0.00 -0.58 -1.26 -4.91 120.64 112.06 3kvz n GLU 35 Ca -0.02 -2.42 -0.32 0.00 -0.42 0.00 0.00 57.16 53.98 3kvz n GLU 35 Cb 0.16 -1.53 0.03 0.00 -0.57 0.00 0.00 31.44 29.53 3kvz n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kvz s PHE 36 N -2.10 3.01 0.69 -0.32 2.99 0.31 -5.01 117.98 117.56 3kvz s PHE 36 Ca 0.30 1.48 -0.16 0.00 0.00 0.00 0.00 56.93 58.55 3kvz s PHE 36 Cb 0.23 -2.96 -0.01 0.00 0.00 0.00 0.00 43.02 40.28 3kvz s PHE 36 CO 0.09 -1.20 0.90 -2.30 -0.00 0.00 0.00 175.22 172.70 3kvz n PRO 37 N -2.56 0.56 -1.86 0.24 -0.02 -1.26 -4.81 135.00 125.29 3kvz n PRO 37 Ca 0.08 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 3kvz n PRO 37 Cb 0.53 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.50 3.26 -4.37 -0.52 -0.58 -1.26 -4.42 120.64 111.25 3kvz n GLU 38 Ca 0.13 -2.85 -0.21 0.00 -0.42 0.00 0.00 57.16 53.81 3kvz n GLU 38 Cb 0.49 -3.10 -0.10 0.00 -0.57 0.00 0.00 31.44 28.16 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 2.08 1.93 0.04 2.62 -7.23 -1.26 -4.26 120.40 114.32 3kvz s VAL 39 Ca 0.48 -2.16 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 3kvz s VAL 39 Cb 0.14 -2.04 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 3kvz s VAL 39 CO -0.06 -0.46 1.76 0.12 -0.31 0.00 0.00 175.10 176.15 3kvz s PHE 40 N -2.56 1.99 0.46 2.82 5.99 -0.57 -1.96 117.98 124.15 3kvz s PHE 40 Ca 0.22 0.04 -0.23 0.00 0.00 0.00 0.00 56.93 56.97 3kvz s PHE 40 Cb -0.03 -4.06 -0.08 0.00 0.00 0.00 0.00 43.02 38.85 3kvz s PHE 40 CO 0.09 -4.45 1.13 0.00 -0.00 0.00 0.00 175.22 171.98 3kvz s ALA 41 N 3.42 2.96 0.26 11.12 0.00 -0.84 -4.81 121.76 133.88 3kvz s ALA 41 Ca 0.78 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 3kvz s ALA 41 Cb -0.40 -3.35 0.44 0.00 0.00 0.00 0.00 23.12 19.81 3kvz s ALA 41 CO 0.35 -0.54 1.85 1.15 0.00 0.00 0.00 175.76 178.56 3kvz h THR 42 N 1.86 1.00 0.00 0.00 2.02 -1.93 0.07 112.91 115.93 3kvz h THR 42 Ca -0.49 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 3kvz h THR 42 Cb 1.24 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3kvz h THR 42 CO 0.60 0.19 -0.27 1.23 0.37 0.00 0.00 175.52 177.64 3kvz h GLY 43 N 1.03 0.00 1.49 2.16 0.00 -1.98 0.29 103.07 106.06 3kvz h GLY 43 Ca 0.44 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.53 3kvz h GLY 43 CO -0.21 0.00 -0.98 0.74 0.00 0.00 0.00 176.54 176.08 3kvz h PHE 44 N 0.00 0.68 -0.04 5.60 0.04 -1.69 -2.61 116.94 118.92 3kvz h PHE 44 Ca -0.00 -0.38 0.01 0.00 2.80 0.00 0.00 57.97 60.40 3kvz h PHE 44 Cb 0.51 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3kvz h PHE 44 CO 0.00 1.21 0.00 1.98 -0.60 0.00 0.00 178.31 180.90 3kvz h MET 45 N 0.25 0.02 -0.45 1.51 4.05 -0.20 -1.45 114.93 118.66 3kvz h MET 45 Ca -0.09 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.41 3kvz h MET 45 Cb 1.63 -0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 32.33 3kvz h MET 45 CO 0.17 0.01 -0.36 0.28 0.23 0.00 0.00 176.91 177.25 3kvz h VAL 46 N 0.02 0.18 -0.55 -5.77 2.07 -0.52 -0.64 116.25 111.05 3kvz h VAL 46 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 3kvz h VAL 46 Cb 0.02 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 3kvz h VAL 46 CO -0.03 0.00 0.36 1.23 0.02 0.00 0.00 177.57 179.15 3kvz h GLY 47 N -0.25 0.73 1.74 2.17 0.00 -1.15 -0.16 103.07 106.15 3kvz h GLY 47 Ca 0.18 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 47.04 3kvz h GLY 47 CO -0.58 0.23 -0.91 -2.00 0.00 0.00 0.00 176.54 173.28 3kvz h LEU 48 N 0.66 0.30 -0.39 3.11 5.85 -0.66 0.55 115.31 124.73 3kvz h LEU 48 Ca 0.21 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3kvz h LEU 48 Cb 0.05 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3kvz h LEU 48 CO -0.05 1.06 -0.14 0.24 -0.34 0.00 0.00 178.44 179.20 3kvz h MET 49 N 0.12 0.79 -0.32 1.25 2.86 -0.56 -2.43 114.93 116.65 3kvz h MET 49 Ca -0.05 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.29 3kvz h MET 49 Cb 1.55 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.14 3kvz h MET 49 CO 0.14 0.94 0.14 0.93 1.06 0.00 0.00 176.91 180.12 3kvz h GLU 50 N 0.59 0.28 -0.77 1.72 5.08 -0.98 -2.75 114.58 117.75 3kvz h GLU 50 Ca 0.09 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3kvz h GLU 50 Cb 0.68 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 3kvz h GLU 50 CO 0.05 0.19 0.51 2.35 -1.00 0.00 0.00 179.01 181.10 3kvz h TRP 51 N 0.29 0.86 -0.31 4.33 7.01 -0.84 0.43 115.95 127.72 3kvz h TRP 51 Ca 0.14 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 3kvz h TRP 51 Cb 0.08 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 3kvz h TRP 51 CO -0.12 0.46 0.06 0.00 -2.79 0.00 0.00 178.44 176.06 3kvz h ALA 52 N 1.57 0.41 -0.52 2.65 0.00 -1.21 -1.28 119.26 120.88 3kvz h ALA 52 Ca 0.33 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3kvz h ALA 52 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kvz h ALA 52 CO -0.11 0.09 -0.01 0.00 0.00 0.00 0.00 179.25 179.22 3kvz h VAL 54 N 0.82 0.90 0.11 0.00 2.07 -0.78 -1.41 116.25 117.96 3kvz h VAL 54 Ca 0.15 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3kvz h VAL 54 Cb 0.50 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3kvz h VAL 54 CO 0.03 0.03 -0.06 0.03 0.02 0.00 0.00 177.57 177.61 3kvz h ARG 55 N 0.19 -0.16 -0.97 1.57 3.08 -1.13 -2.95 114.38 114.01 3kvz h ARG 55 Ca 0.12 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.30 3kvz h ARG 55 Cb 0.11 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 3kvz h ARG 55 CO -0.14 -0.11 0.60 0.00 -1.07 0.00 0.00 179.97 179.25 3kvz h ALA 56 N 0.72 1.46 -0.01 0.04 0.00 -1.11 -2.90 119.26 117.46 3kvz h ALA 56 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kvz h ALA 56 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kvz h ALA 56 CO 0.01 0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.38 3kvz n MET 57 N -4.66 1.34 0.06 0.00 0.00 -0.54 -4.34 117.12 108.98 3kvz n MET 57 Ca 0.18 -0.71 -0.06 0.00 0.00 0.00 0.00 57.70 57.12 3kvz n MET 57 Cb 0.36 -1.49 0.13 0.00 0.00 0.00 0.00 33.22 32.22 3kvz n MET 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kvz h ALA 58 N 4.11 0.87 0.00 3.17 0.00 -1.34 -2.29 119.26 123.78 3kvz h ALA 58 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kvz h ALA 58 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kvz h ALA 58 CO 0.00 0.68 0.00 -2.30 0.00 0.00 0.00 179.25 177.63 3kvz n PRO 59 N -3.94 0.00 -0.04 0.00 -0.02 -1.26 -2.10 135.00 127.64 3kvz n PRO 59 Ca -0.02 0.43 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 3kvz n PRO 59 Cb 0.58 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.63 3kvz n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kvz n TYR 60 N -1.47 0.10 -2.59 6.00 4.01 -0.86 -4.94 117.16 117.41 3kvz n TYR 60 Ca 0.01 -0.10 -0.37 0.00 -0.16 0.00 0.00 57.90 57.28 3kvz n TYR 60 Cb 0.02 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.99 4.20 0.45 7.72 1.43 -0.89 -5.07 118.68 125.53 3kvz s LEU 61 Ca 0.16 2.01 -0.03 0.00 -1.03 0.00 0.00 54.13 55.24 3kvz s LEU 61 Cb 0.10 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 3kvz s LEU 61 CO 0.15 -0.39 0.72 -1.61 0.23 0.00 0.00 176.35 175.45 3kvz s GLU 62 N -2.37 3.41 0.40 1.70 0.41 -1.26 -5.01 118.70 115.98 3kvz s GLU 62 Ca 0.56 -0.04 -0.25 0.00 -0.41 0.00 0.00 54.97 54.82 3kvz s GLU 62 Cb -0.22 -2.46 -0.08 0.00 -1.78 0.00 0.00 34.13 29.59 3kvz s GLU 62 CO 0.27 -0.17 1.16 -2.14 -0.49 0.00 0.00 175.26 173.89 3kvz s PRO 63 N -4.63 4.06 0.00 0.39 0.02 -1.26 -2.12 135.00 131.46 3kvz s PRO 63 Ca 0.46 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3kvz s PRO 63 Cb -0.10 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.76 3kvz s PRO 63 CO 0.42 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 177.19 3kvz n GLY 64 N 0.61 2.19 3.88 0.52 0.00 -1.26 -5.06 105.19 106.07 3kvz n GLY 64 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.71 3.50 0.00 1.61 2.02 -0.90 -1.22 118.70 122.99 3kvz s GLU 65 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 54.86 3kvz s GLU 65 Cb 0.00 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.08 3kvz s GLU 65 CO 0.00 0.72 0.00 0.41 0.02 0.00 0.00 175.26 176.41 3kvz n GLY 66 N 1.53 5.63 3.23 -1.39 0.00 -0.33 -4.77 105.19 109.10 3kvz n GLY 66 Ca -0.15 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 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 0.03 0.01 1.61 1.04 -1.26 -0.93 113.70 115.20 3kvz s SER 67 Ca 0.00 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.87 3kvz s SER 67 Cb 0.00 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 3kvz s SER 67 CO 0.00 -0.76 -0.04 -0.76 0.98 0.00 0.00 173.24 172.66 3kvz s LEU 68 N -2.85 2.13 0.25 2.42 1.43 0.04 -4.91 118.68 117.18 3kvz s LEU 68 Ca 0.04 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 3kvz s LEU 68 Cb 0.04 -0.08 -0.09 0.00 0.03 0.00 0.00 46.19 46.09 3kvz s LEU 68 CO -0.11 -0.11 1.05 -0.83 0.23 0.00 0.00 176.35 176.58 3kvz s GLY 69 N -0.79 3.04 0.00 -3.19 0.00 -1.26 -0.48 107.32 104.64 3kvz s GLY 69 Ca -0.06 0.80 0.03 0.00 0.00 0.00 0.00 44.72 45.49 3kvz s GLY 69 CO -0.00 1.44 0.35 -1.30 0.00 0.00 0.00 173.10 173.59 3kvz n THR 70 N 1.51 0.00 -3.62 0.90 -2.24 0.80 -4.88 114.28 106.75 3kvz n THR 70 Ca -0.01 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 3kvz n THR 70 Cb 0.46 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.77 -1.96 -0.02 6.98 0.00 -1.18 -4.95 121.76 119.86 3kvz s ALA 71 Ca 0.02 1.77 0.01 0.00 0.00 0.00 0.00 51.96 53.76 3kvz s ALA 71 Cb 0.02 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.96 3kvz s ALA 71 CO 0.08 -0.26 -0.04 -1.50 0.00 0.00 0.00 175.76 174.04 3kvz s ILE 72 N -0.24 0.40 -0.28 0.00 2.07 -1.26 -1.83 121.20 120.06 3kvz s ILE 72 Ca 0.01 -0.15 -0.04 0.00 -1.41 0.00 0.00 60.65 59.07 3kvz s ILE 72 Cb -0.03 -0.38 0.10 0.00 0.13 0.00 0.00 42.46 42.27 3kvz s ILE 72 CO -0.04 0.15 0.13 0.00 -1.91 0.00 0.00 174.94 173.27 3kvz s VAL 74 N 2.12 0.10 0.45 0.00 -7.23 -1.26 -0.25 120.40 114.33 3kvz s VAL 74 Ca 0.08 -0.84 -0.00 0.00 -1.81 0.00 0.00 61.98 59.41 3kvz s VAL 74 Cb -0.16 -0.50 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 3kvz s VAL 74 CO -0.34 -0.46 0.68 0.42 -0.31 0.00 0.00 175.10 175.09 3kvz s THR 75 N -1.69 4.11 -0.27 5.32 -4.23 -0.21 -4.94 115.64 113.72 3kvz s THR 75 Ca -0.13 -0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 59.92 3kvz s THR 75 Cb -0.07 -3.53 0.09 0.00 1.34 0.00 0.00 72.50 70.34 3kvz s THR 75 CO -0.00 -0.39 0.12 -2.28 -0.54 0.00 0.00 174.62 171.53 3kvz s HIS 76 N -2.57 0.46 -0.28 3.99 2.46 -1.26 -3.35 115.29 114.74 3kvz s HIS 76 Ca 0.48 -0.89 0.07 0.00 0.47 0.00 0.00 55.06 55.20 3kvz s HIS 76 Cb -0.10 -0.96 -0.09 0.00 -0.13 0.00 0.00 32.58 31.31 3kvz s HIS 76 CO 0.39 -0.78 0.28 0.25 -2.47 0.00 0.00 174.74 172.40 3kvz n THR 77 N 5.21 0.00 -4.03 0.89 -2.24 0.54 -4.96 114.28 109.69 3kvz n THR 77 Ca -0.06 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 3kvz n THR 77 Cb 0.43 0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.85 0.29 0.09 6.98 0.00 -1.23 -5.00 121.76 121.04 3kvz s ALA 78 Ca 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3kvz s ALA 78 Cb 0.05 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 3kvz s ALA 78 CO 0.30 -0.27 0.13 0.00 0.00 0.00 0.00 175.76 175.92 3kvz s ALA 79 N -2.69 3.69 -0.19 0.00 0.00 -1.26 -4.82 121.76 116.48 3kvz s ALA 79 Ca -0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 3kvz s ALA 79 Cb -0.01 -1.53 0.06 0.00 0.00 0.00 0.00 23.12 21.64 3kvz s ALA 79 CO -0.05 0.71 0.02 0.99 0.00 0.00 0.00 175.76 177.43 3kvz s THR 80 N -1.50 0.64 0.83 0.00 2.01 -1.26 -5.01 115.64 111.36 3kvz s THR 80 Ca 0.31 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 3kvz s THR 80 Cb -0.12 -1.09 0.09 0.00 0.01 0.00 0.00 72.50 71.39 3kvz s THR 80 CO 0.24 -0.16 1.09 -2.16 -0.69 0.00 0.00 174.62 172.94 3kvz s PRO 81 N 1.81 1.82 0.74 4.92 0.04 -1.26 -1.51 135.00 141.56 3kvz s PRO 81 Ca -0.01 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 61.73 3kvz s PRO 81 Cb -0.17 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.54 3kvz s PRO 81 CO -0.08 -1.86 1.20 -2.30 0.04 0.00 0.00 177.00 174.01 3kvz n PRO 82 N -3.63 0.55 0.00 0.56 -0.02 -1.26 -3.59 135.00 127.61 3kvz n PRO 82 Ca 0.07 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3kvz n PRO 82 Cb 0.55 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3kvz n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvz n GLY 83 N 0.75 2.97 3.77 -1.23 0.00 0.63 -4.99 105.19 107.09 3kvz n GLY 83 Ca 0.14 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.08 -0.30 0.99 1.02 -1.24 -4.69 118.68 118.55 3kvz s LEU 84 Ca 0.00 2.29 -0.21 0.00 0.02 0.00 0.00 54.13 56.23 3kvz s LEU 84 Cb 0.00 -4.16 -0.01 0.00 0.02 0.00 0.00 46.19 42.04 3kvz s LEU 84 CO 0.00 -0.79 0.69 -0.89 0.02 0.00 0.00 176.35 175.37 3kvz s THR 85 N -1.52 4.89 -0.14 5.49 2.01 -1.26 -0.81 115.64 124.30 3kvz s THR 85 Ca 0.61 1.01 -0.17 0.00 0.31 0.00 0.00 61.69 63.44 3kvz s THR 85 Cb -0.29 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 3kvz s THR 85 CO 0.35 -0.16 0.45 -0.69 -0.69 0.00 0.00 174.62 173.89 3kvz s VAL 86 N 2.72 5.19 -0.25 3.82 1.01 0.26 -3.90 120.40 129.25 3kvz s VAL 86 Ca 0.28 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 3kvz s VAL 86 Cb -0.15 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3kvz s VAL 86 CO 0.12 0.31 -0.02 -0.89 0.00 0.00 0.00 175.10 174.62 3kvz s THR 87 N 0.79 3.39 -0.17 3.92 2.01 0.32 -0.50 115.64 125.39 3kvz s THR 87 Ca 0.24 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 3kvz s THR 87 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3kvz s THR 87 CO 0.09 0.27 0.07 -0.69 -0.69 0.00 0.00 174.62 173.67 3kvz s VAL 88 N 1.44 4.87 -0.15 3.82 1.01 -0.32 -1.66 120.40 129.41 3kvz s VAL 88 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3kvz s VAL 88 Cb -0.16 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3kvz s VAL 88 CO -0.02 0.48 -0.06 -0.89 0.00 0.00 0.00 175.10 174.61 3kvz s THR 89 N 0.19 3.71 -0.20 3.92 2.01 0.56 -0.61 115.64 125.21 3kvz s THR 89 Ca 0.05 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.63 3kvz s THR 89 Cb -0.12 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.80 3kvz s THR 89 CO 0.00 0.50 -0.17 0.00 -0.69 0.00 0.00 174.62 174.27 3kvz s ALA 90 N 0.35 2.42 -0.13 7.40 0.00 -0.34 -0.91 121.76 130.55 3kvz s ALA 90 Ca -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.57 3kvz s ALA 90 Cb -0.15 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 3kvz s ALA 90 CO 0.04 -0.54 -0.15 -2.00 0.00 0.00 0.00 175.76 173.10 3kvz s GLU 91 N 1.27 3.30 -0.23 0.00 2.12 0.11 -1.41 118.70 123.85 3kvz s GLU 91 Ca 0.02 -0.73 -0.29 0.00 0.36 0.00 0.00 54.97 54.33 3kvz s GLU 91 Cb -0.15 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.65 3kvz s GLU 91 CO -0.11 0.17 1.41 -1.17 -0.54 0.00 0.00 175.26 175.02 3kvz s LEU 92 N 0.45 3.97 -0.08 2.70 2.96 -0.36 -0.65 118.68 127.66 3kvz s LEU 92 Ca -0.11 1.49 0.10 0.00 -0.22 0.00 0.00 54.13 55.39 3kvz s LEU 92 Cb -0.16 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 3kvz s LEU 92 CO 0.05 -1.06 0.51 0.54 -1.32 0.00 0.00 176.35 175.07 3kvz n ARG 93 N 7.26 0.66 -3.56 1.98 1.74 0.29 0.11 116.66 125.13 3kvz n ARG 93 Ca 0.16 0.25 -0.13 0.00 -0.77 0.00 0.00 57.85 57.35 3kvz n ARG 93 Cb 0.46 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 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 -6.17 -0.50 -0.12 0.55 1.04 -1.09 -4.80 113.70 102.61 3kvz s SER 94 Ca -0.09 0.60 -0.00 0.00 0.48 0.00 0.00 55.95 56.94 3kvz s SER 94 Cb 0.08 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.71 3kvz s SER 94 CO 0.81 -0.42 -0.08 -0.69 0.98 0.00 0.00 173.24 173.85 3kvz s VAL 95 N -0.96 1.04 -0.42 5.02 1.01 -1.26 -1.18 120.40 123.65 3kvz s VAL 95 Ca -0.05 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3kvz s VAL 95 Cb -0.01 -1.07 0.14 0.00 0.00 0.00 0.00 36.38 35.44 3kvz s VAL 95 CO 0.04 0.35 0.26 -1.61 0.00 0.00 0.00 175.10 174.14 3kvz s GLU 96 N 1.70 1.08 5.42 2.72 2.02 0.10 -5.01 118.70 126.73 3kvz s GLU 96 Ca 0.05 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.15 3kvz s GLU 96 Cb -0.13 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.15 3kvz s GLU 96 CO -0.08 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.39 3kvz n GLY 97 N 3.51 1.33 0.01 -1.39 0.00 -1.26 -1.30 105.19 106.09 3kvz n GLY 97 Ca 0.13 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.08 -3.94 1.61 1.74 -1.26 -4.89 116.66 110.00 3kvz n ARG 98 Ca 0.00 0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.74 3kvz n ARG 98 Cb 0.00 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 29.79 3kvz n ARG 98 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3kvz s ARG 99 N -3.05 3.78 -0.00 5.56 3.52 -0.42 -0.84 118.95 127.50 3kvz s ARG 99 Ca 0.09 -0.43 0.08 0.00 -0.13 0.00 0.00 55.73 55.34 3kvz s ARG 99 Cb 0.16 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.30 3kvz s ARG 99 CO 0.73 0.04 -0.26 -0.51 -0.81 0.00 0.00 175.30 174.50 3kvz s LEU 100 N 0.98 2.08 0.07 -0.88 1.02 -0.59 0.01 118.68 121.37 3kvz s LEU 100 Ca 0.03 -0.49 0.04 0.00 0.02 0.00 0.00 54.13 53.74 3kvz s LEU 100 Cb -0.14 -1.30 -0.03 0.00 0.02 0.00 0.00 46.19 44.74 3kvz s LEU 100 CO 0.03 0.30 -0.13 -0.94 0.02 0.00 0.00 176.35 175.63 3kvz s SER 101 N -0.76 1.52 0.04 2.29 1.04 -0.32 -1.38 113.70 116.13 3kvz s SER 101 Ca 0.10 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.91 3kvz s SER 101 Cb -0.10 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 3kvz s SER 101 CO -0.00 -0.13 -0.07 0.26 0.98 0.00 0.00 173.24 174.28 3kvz s TRP 102 N -1.50 0.65 -0.26 5.02 0.52 0.13 -0.55 118.94 122.97 3kvz s TRP 102 Ca -0.02 -0.52 -0.15 0.00 0.02 0.00 0.00 56.10 55.44 3kvz s TRP 102 Cb -0.09 -0.39 -0.04 0.00 -1.15 0.00 0.00 33.47 31.80 3kvz s TRP 102 CO 0.02 -0.09 0.36 0.50 0.02 0.00 0.00 176.95 177.76 3kvz s ARG 103 N -1.66 4.05 -0.00 4.98 3.52 0.17 -1.46 118.95 128.54 3kvz s ARG 103 Ca -0.09 0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.57 3kvz s ARG 103 Cb -0.09 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3kvz s ARG 103 CO 0.00 -0.22 -0.02 0.14 -0.81 0.00 0.00 175.30 174.40 3kvz s VAL 104 N 1.88 4.03 -0.07 7.11 -7.23 -0.70 0.07 120.40 125.49 3kvz s VAL 104 Ca 0.15 -0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.56 3kvz s VAL 104 Cb -0.15 -2.79 0.03 0.00 0.56 0.00 0.00 36.38 34.02 3kvz s VAL 104 CO 0.09 0.38 0.31 -0.55 -0.31 0.00 0.00 175.10 175.02 3kvz s SER 105 N -1.52 -0.26 -0.00 4.85 0.15 -0.09 -1.41 113.70 115.42 3kvz s SER 105 Ca 0.19 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.23 3kvz s SER 105 Cb -0.11 0.50 -0.00 0.00 -1.71 0.00 0.00 66.02 64.69 3kvz s SER 105 CO 0.10 -0.25 -0.02 0.00 1.20 0.00 0.00 173.24 174.26 3kvz s ALA 106 N -0.48 0.19 0.21 5.45 0.00 -0.40 -0.32 121.76 126.41 3kvz s ALA 106 Ca -0.06 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 51.83 3kvz s ALA 106 Cb -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3kvz s ALA 106 CO 0.02 0.04 -0.04 -3.38 0.00 0.00 0.00 175.76 172.40 3kvz s HIS 107 N -0.09 1.53 -0.62 0.00 -3.43 -0.66 -0.18 115.29 111.84 3kvz s HIS 107 Ca 0.01 -0.84 0.14 0.00 -0.80 0.00 0.00 55.06 53.56 3kvz s HIS 107 Cb -0.01 -0.86 0.43 0.00 -1.43 0.00 0.00 32.58 30.71 3kvz s HIS 107 CO -0.00 0.04 1.35 -0.40 -2.00 0.00 0.00 174.74 173.73 3kvz n ASP 108 N -0.38 3.45 0.00 7.38 5.68 -0.62 -0.52 116.55 131.54 3kvz n ASP 108 Ca -0.06 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.77 3kvz n ASP 108 Cb 0.63 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 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 0.12 1.67 0.59 6.12 0.00 -1.25 -4.07 105.19 108.37 3kvz n GLY 109 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 1.25 -4.42 1.61 0.31 -1.26 -5.08 118.33 108.74 3kvz n VAL 110 Ca 0.00 0.19 -0.26 0.00 -0.01 0.00 0.00 64.34 64.26 3kvz n VAL 110 Cb 0.00 -1.91 -0.11 0.00 -0.91 0.00 0.00 33.84 30.91 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 -6.00 3.55 0.19 4.52 1.01 -1.26 -5.11 116.67 113.56 3kvz s ASP 111 Ca -0.15 -0.87 -0.30 0.00 0.71 0.00 0.00 52.55 51.94 3kvz s ASP 111 Cb 0.03 -0.31 -0.09 0.00 1.01 0.00 0.00 42.92 43.56 3kvz s ASP 111 CO 0.21 0.10 1.32 -0.70 0.21 0.00 0.00 175.17 176.31 3kvz s GLU 112 N -2.84 4.38 -0.01 8.23 2.12 -1.26 -1.58 118.70 127.73 3kvz s GLU 112 Ca 0.23 2.05 0.12 0.00 0.36 0.00 0.00 54.97 57.73 3kvz s GLU 112 Cb -0.07 -3.20 -0.18 0.00 0.26 0.00 0.00 34.13 30.94 3kvz s GLU 112 CO 0.11 -0.27 0.28 0.44 -0.54 0.00 0.00 175.26 175.28 3kvz n ILE 113 N 2.77 0.00 0.00 -3.70 -5.35 0.75 -4.16 119.36 109.67 3kvz n ILE 113 Ca 0.07 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 3kvz n ILE 113 Cb 0.43 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 3kvz n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kvz n GLY 114 N 1.78 1.60 3.76 3.28 0.00 -1.16 -0.34 105.19 114.12 3kvz n GLY 114 Ca -0.02 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 3kvz n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvz s SER 115 N 0.00 -0.30 0.00 1.61 1.04 -1.21 -1.27 113.70 113.57 3kvz s SER 115 Ca 0.00 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3kvz s SER 115 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3kvz s SER 115 CO 0.00 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.64 3kvz n GLY 116 N -0.44 -0.32 3.23 7.32 0.00 -0.50 -1.05 105.19 113.43 3kvz n GLY 116 Ca -0.06 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.00 0.80 -0.15 2.61 -4.23 0.66 -1.72 115.64 109.61 3kvz s THR 117 Ca 0.00 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 3kvz s THR 117 Cb 0.00 -1.98 0.05 0.00 1.34 0.00 0.00 72.50 71.91 3kvz s THR 117 CO 0.00 -0.61 0.38 -2.28 -0.54 0.00 0.00 174.62 171.56 3kvz s HIS 118 N -3.57 -0.48 0.01 3.99 5.04 -0.54 -1.45 115.29 118.29 3kvz s HIS 118 Ca 0.20 1.10 0.07 0.00 -1.54 0.00 0.00 55.06 54.88 3kvz s HIS 118 Cb 0.05 0.18 -0.03 0.00 0.04 0.00 0.00 32.58 32.82 3kvz s HIS 118 CO 0.01 -0.26 -0.19 -1.21 -2.34 0.00 0.00 174.74 170.76 3kvz s GLU 119 N 0.75 2.14 0.14 2.88 8.01 -0.76 -0.69 118.70 131.17 3kvz s GLU 119 Ca -0.04 -0.93 0.05 0.00 0.01 0.00 0.00 54.97 54.06 3kvz s GLU 119 Cb -0.06 -2.19 -0.04 0.00 -4.31 0.00 0.00 34.13 27.54 3kvz s GLU 119 CO -0.05 0.56 -0.12 1.03 0.01 0.00 0.00 175.26 176.68 3kvz s ARG 120 N -1.16 1.05 -0.07 1.61 0.52 -0.48 -0.14 118.95 120.27 3kvz s ARG 120 Ca 0.13 -1.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.04 3kvz s ARG 120 Cb -0.10 -0.80 0.00 0.00 0.52 0.00 0.00 34.95 34.57 3kvz s ARG 120 CO 0.03 0.13 -0.19 0.00 0.02 0.00 0.00 175.30 175.29 3kvz s ALA 121 N -2.65 1.78 0.10 2.13 0.00 0.36 -1.54 121.76 121.95 3kvz s ALA 121 Ca 0.13 -0.77 -0.31 0.00 0.00 0.00 0.00 51.96 51.00 3kvz s ALA 121 Cb -0.02 -0.66 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 3kvz s ALA 121 CO 0.02 0.26 1.51 0.08 0.00 0.00 0.00 175.76 177.63 3kvz s VAL 122 N 0.29 3.10 0.13 0.00 1.01 -0.02 -0.78 120.40 124.13 3kvz s VAL 122 Ca -0.12 0.71 0.09 0.00 0.00 0.00 0.00 61.98 62.66 3kvz s VAL 122 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3kvz s VAL 122 CO 0.05 0.03 -0.22 0.27 0.00 0.00 0.00 175.10 175.23 3kvz s ILE 123 N 1.68 1.96 -0.46 2.22 -4.36 -0.10 -4.94 121.20 117.20 3kvz s ILE 123 Ca 0.68 -1.73 -0.28 0.00 -0.26 0.00 0.00 60.65 59.06 3kvz s ILE 123 Cb -0.39 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.53 3kvz s ILE 123 CO 0.30 -0.07 1.52 -1.38 0.24 0.00 0.00 174.94 175.56 3kvz s HIS 124 N -1.35 2.19 0.15 1.37 0.00 -1.26 -1.18 115.29 115.20 3kvz s HIS 124 Ca 0.12 0.62 -0.17 0.00 -3.00 0.00 0.00 55.06 52.63 3kvz s HIS 124 Cb -0.09 -4.28 0.03 0.00 -4.00 0.00 0.00 32.58 24.23 3kvz s HIS 124 CO 0.06 -2.19 1.77 -0.07 -1.00 0.00 0.00 174.74 173.31 3kvz h LEU 125 N 13.11 0.24 -0.08 5.38 3.38 -1.50 0.47 115.31 136.32 3kvz h LEU 125 Ca -0.28 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3kvz h LEU 125 Cb 1.12 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3kvz h LEU 125 CO 1.11 0.18 -0.01 -0.08 0.09 0.00 0.00 178.44 179.73 3kvz h GLU 126 N 0.35 0.15 -0.10 1.13 4.57 -1.95 0.22 114.58 118.94 3kvz h GLU 126 Ca 0.14 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3kvz h GLU 126 Cb 0.06 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3kvz h GLU 126 CO -0.10 0.46 0.05 -0.22 -1.18 0.00 0.00 179.01 178.01 3kvz h LYS 127 N -0.18 0.15 0.19 1.92 3.64 -1.92 -0.68 116.57 119.70 3kvz h LYS 127 Ca 0.02 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3kvz h LYS 127 Cb 0.40 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 3kvz h LYS 127 CO 0.01 0.25 -0.39 0.35 -2.27 0.00 0.00 179.45 177.39 3kvz h PHE 128 N 0.02 -1.09 -0.64 1.91 3.57 -0.02 -1.45 116.94 119.23 3kvz h PHE 128 Ca 0.04 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.65 3kvz h PHE 128 Cb 0.15 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 39.27 3kvz h PHE 128 CO -0.02 -0.51 0.28 -0.91 -2.23 0.00 0.00 178.31 174.92 3kvz h ASN 129 N -0.68 0.32 -0.23 0.41 2.35 -0.50 0.84 115.58 118.10 3kvz h ASN 129 Ca 0.01 0.07 0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3kvz h ASN 129 Cb 0.67 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.00 3kvz h ASN 129 CO -0.19 0.19 -0.31 0.00 -1.65 0.00 0.00 177.43 175.47 3kvz h ALA 130 N 1.42 -0.29 -0.73 -0.83 0.00 -0.94 0.96 119.26 118.84 3kvz h ALA 130 Ca 0.32 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.40 3kvz h ALA 130 Cb 0.37 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 3kvz h ALA 130 CO -0.29 -0.76 0.34 0.87 0.00 0.00 0.00 179.25 179.41 3kvz h LYS 131 N -0.33 0.53 -0.61 0.00 1.57 -0.14 -1.74 116.57 115.84 3kvz h LYS 131 Ca 0.12 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3kvz h LYS 131 Cb 0.53 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3kvz h LYS 131 CO -0.41 0.35 0.07 0.28 -0.57 0.00 0.00 179.45 179.17 3kvz h VAL 132 N 0.54 1.26 -0.43 0.50 2.07 0.29 -1.95 116.25 118.53 3kvz h VAL 132 Ca 0.38 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3kvz h VAL 132 Cb 0.48 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3kvz h VAL 132 CO -0.32 0.38 0.25 0.03 0.02 0.00 0.00 177.57 177.93 3kvz h ARG 133 N 0.94 0.58 0.00 1.57 -0.00 -0.10 -2.04 114.38 115.32 3kvz h ARG 133 Ca 0.18 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.60 3kvz h ARG 133 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 29.97 30.28 3kvz h ARG 133 CO 0.01 0.41 -0.09 1.96 0.00 0.00 0.00 179.97 182.26 3kvz h GLN 134 N 0.59 0.00 -0.47 0.04 4.20 -0.52 -2.50 115.11 116.44 3kvz h GLN 134 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3kvz h GLN 134 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3kvz h GLN 134 CO -0.03 0.09 0.00 0.36 -0.67 0.00 0.00 178.83 178.58 3kvz n LYS 135 N -3.53 2.76 -2.85 1.46 2.85 -0.79 -4.95 118.16 113.12 3kvz n LYS 135 Ca -0.02 -2.25 -0.41 0.00 -1.05 0.00 0.00 58.31 54.59 3kvz n LYS 135 Cb 0.23 -1.38 -0.04 0.00 -0.65 0.00 0.00 35.03 33.19 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 -1.01 4.91 -2.00 0.58 2.01 -0.94 -5.11 115.64 114.07 3kvz s THR 136 Ca 0.32 1.81 0.10 0.00 0.31 0.00 0.00 61.69 64.24 3kvz s THR 136 Cb 0.17 -4.21 0.28 0.00 0.01 0.00 0.00 72.50 68.75 3kvz s THR 136 CO 0.22 0.21 1.04 -2.65 -0.69 0.00 0.00 174.62 172.75