#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 3.90 0.20 2.12 1.04 -1.26 -5.00 118.95 119.95 3kvz s ARG 6 Ca 0.00 0.33 -0.30 0.00 -1.04 0.00 0.00 55.73 54.71 3kvz s ARG 6 Cb 0.00 -3.24 -0.09 0.00 -2.04 0.00 0.00 34.95 29.58 3kvz s ARG 6 CO 0.00 0.64 1.35 0.08 -0.04 0.00 0.00 175.30 177.34 3kvz s VAL 7 N -0.88 3.09 0.00 4.99 1.01 -1.26 -2.86 120.40 124.49 3kvz s VAL 7 Ca 0.22 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.09 3kvz s VAL 7 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3kvz s VAL 7 CO 0.11 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3kvz n GLY 8 N 2.47 0.70 3.72 4.51 0.00 0.20 -5.01 105.19 111.78 3kvz n GLY 8 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3kvz n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kvz s GLU 9 N -0.71 4.54 0.02 1.61 2.12 -1.13 -4.76 118.70 120.38 3kvz s GLU 9 Ca 0.00 1.66 0.07 0.00 0.36 0.00 0.00 54.97 57.07 3kvz s GLU 9 Cb 0.00 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 3kvz s GLU 9 CO 0.00 -0.06 -0.20 1.03 -0.54 0.00 0.00 175.26 175.49 3kvz s ARG 10 N 0.41 2.07 -0.03 4.30 0.52 -1.26 -2.06 118.95 122.90 3kvz s ARG 10 Ca 0.53 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 3kvz s ARG 10 Cb -0.27 -2.15 0.01 0.00 0.52 0.00 0.00 34.95 33.06 3kvz s ARG 10 CO 0.31 0.55 -0.08 0.12 0.02 0.00 0.00 175.30 176.22 3kvz s PHE 11 N -0.84 0.90 0.18 -0.53 5.36 -0.01 -4.99 117.98 118.06 3kvz s PHE 11 Ca 0.13 -0.24 0.10 0.00 -0.96 0.00 0.00 56.93 55.96 3kvz s PHE 11 Cb -0.10 -0.67 -0.04 0.00 -0.34 0.00 0.00 43.02 41.86 3kvz s PHE 11 CO 0.03 -0.13 -0.15 0.95 -1.46 0.00 0.00 175.22 174.46 3kvz s THR 12 N 0.40 2.89 -0.05 0.12 -4.23 -1.26 -0.56 115.64 112.96 3kvz s THR 12 Ca -0.06 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 3kvz s THR 12 Cb -0.10 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.35 3kvz s THR 12 CO 0.01 -0.10 -0.03 -2.28 -0.54 0.00 0.00 174.62 171.67 3kvz s HIS 13 N -1.67 0.69 -0.02 3.99 2.46 -0.47 -5.00 115.29 115.27 3kvz s HIS 13 Ca 0.23 -0.18 0.04 0.00 0.47 0.00 0.00 55.06 55.62 3kvz s HIS 13 Cb -0.09 -0.66 -0.03 0.00 -0.13 0.00 0.00 32.58 31.68 3kvz s HIS 13 CO 0.13 -0.21 -0.14 -0.51 -2.47 0.00 0.00 174.74 171.55 3kvz s ASP 14 N 1.08 4.08 -0.16 9.88 1.01 -1.26 -1.07 116.67 130.22 3kvz s ASP 14 Ca -0.09 -0.23 -0.04 0.00 0.71 0.00 0.00 52.55 52.90 3kvz s ASP 14 Cb -0.14 -0.84 0.08 0.00 1.01 0.00 0.00 42.92 43.03 3kvz s ASP 14 CO -0.01 0.32 0.25 0.12 0.21 0.00 0.00 175.17 176.06 3kvz s PHE 15 N -0.81 -0.38 -0.06 4.23 5.36 -0.01 -4.98 117.98 121.33 3kvz s PHE 15 Ca 0.13 0.65 -0.30 0.00 -0.96 0.00 0.00 56.93 56.45 3kvz s PHE 15 Cb -0.11 -0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.37 3kvz s PHE 15 CO 0.02 -0.47 1.23 0.08 -1.46 0.00 0.00 175.22 174.63 3kvz s VAL 16 N 2.38 4.20 -0.25 3.12 1.01 -1.26 0.19 120.40 129.79 3kvz s VAL 16 Ca 0.04 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 3kvz s VAL 16 Cb -0.14 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3kvz s VAL 16 CO -0.10 -0.02 1.20 -0.69 0.00 0.00 0.00 175.10 175.49 3kvz s VAL 17 N 2.42 4.34 0.63 2.92 1.01 -0.49 -4.89 120.40 126.33 3kvz s VAL 17 Ca 0.57 1.57 -0.03 0.00 0.00 0.00 0.00 61.98 64.08 3kvz s VAL 17 Cb -0.25 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 31.99 3kvz s VAL 17 CO 0.21 -0.33 0.90 -2.16 0.00 0.00 0.00 175.10 173.72 3kvz s PRO 18 N 3.71 2.43 0.46 2.72 0.04 -1.26 0.60 135.00 143.70 3kvz s PRO 18 Ca 0.52 -0.43 0.16 0.00 0.04 0.00 0.00 61.00 61.29 3kvz s PRO 18 Cb -0.17 -2.31 1.12 0.00 0.04 0.00 0.00 34.50 33.17 3kvz s PRO 18 CO 0.16 -0.95 1.99 -1.35 0.04 0.00 0.00 177.00 176.89 3kvz h PRO 19 N -0.27 0.30 -0.34 0.56 0.11 -1.95 -2.80 132.00 127.61 3kvz h PRO 19 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kvz h PRO 19 Cb 1.30 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kvz h PRO 19 CO 0.57 0.20 0.00 -2.39 -0.21 0.00 0.00 178.00 176.17 3kvz n HIS 20 N -4.46 0.37 -1.16 0.65 1.44 -1.26 -3.65 115.22 107.14 3kvz n HIS 20 Ca 0.09 -0.17 0.01 0.00 -2.01 0.00 0.00 57.72 55.64 3kvz n HIS 20 Cb 0.41 -0.04 0.24 0.00 0.12 0.00 0.00 29.99 30.72 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 0.19 2.65 -2.50 -1.40 4.76 -1.06 -4.77 118.16 116.04 3kvz n LYS 21 Ca 0.08 -3.00 -0.22 0.00 -2.87 0.00 0.00 58.31 52.30 3kvz n LYS 21 Cb 0.25 -1.90 0.11 0.00 -1.84 0.00 0.00 35.03 31.65 3kvz n LYS 21 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3kvz n THR 22 N -0.69 0.00 -0.08 -0.18 -2.24 -1.24 -2.14 114.28 107.71 3kvz n THR 22 Ca 0.29 -1.52 -0.10 0.00 -2.27 0.00 0.00 64.05 60.45 3kvz n THR 22 Cb 1.04 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3kvz n THR 22 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3kvz h VAL 23 N -0.55 1.14 -1.16 2.28 2.07 -1.75 -2.43 116.25 115.86 3kvz h VAL 23 Ca -0.31 -0.41 0.33 0.00 0.82 0.00 0.00 66.70 67.13 3kvz h VAL 23 Cb 1.17 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 3kvz h VAL 23 CO 0.34 0.14 0.79 0.03 0.02 0.00 0.00 177.57 178.89 3kvz h ARG 24 N 0.30 0.18 0.00 1.57 3.08 -1.88 -2.50 114.38 115.12 3kvz h ARG 24 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3kvz h ARG 24 Cb 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3kvz h ARG 24 CO -0.01 0.12 -0.63 0.45 -1.07 0.00 0.00 179.97 178.83 3kvz h HIS 25 N 0.18 0.00 -0.16 3.04 3.86 -1.73 -2.46 115.15 117.87 3kvz h HIS 25 Ca 0.61 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.79 3kvz h HIS 25 Cb 2.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.47 3kvz h HIS 25 CO -0.00 0.00 -0.03 1.25 0.86 0.00 0.00 177.93 180.01 3kvz h LEU 26 N 0.00 0.30 -7.03 2.43 5.85 -1.44 -3.35 115.31 112.07 3kvz h LEU 26 Ca 0.00 -0.36 -0.62 0.00 0.84 0.00 0.00 57.88 57.75 3kvz h LEU 26 Cb 0.95 -0.08 -0.41 0.00 0.37 0.00 0.00 40.66 41.49 3kvz h LEU 26 CO 0.00 0.59 -0.68 -0.31 -0.34 0.00 0.00 178.44 177.70 3kvz s TYR 27 N -4.79 2.79 -1.14 1.25 2.02 -1.24 -4.93 117.35 111.30 3kvz s TYR 27 Ca -0.14 -2.96 0.04 0.00 -0.37 0.00 0.00 57.07 53.64 3kvz s TYR 27 Cb 0.06 -2.31 0.18 0.00 -0.40 0.00 0.00 41.96 39.49 3kvz s TYR 27 CO 0.73 -0.68 1.07 -2.30 -1.57 0.00 0.00 175.55 172.80 3kvz n PRO 28 N 2.70 0.02 -0.05 -1.71 -0.02 -0.93 -2.02 135.00 132.99 3kvz n PRO 28 Ca 0.15 0.37 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 3kvz n PRO 28 Cb 0.36 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.78 3kvz n PRO 28 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kvz n GLU 29 N -1.43 1.56 -3.65 -0.52 0.00 -1.26 -4.81 120.64 110.52 3kvz n GLU 29 Ca 0.01 -0.85 -0.39 0.00 0.00 0.00 0.00 57.16 55.93 3kvz n GLU 29 Cb 0.04 -1.38 -0.12 0.00 0.00 0.00 0.00 31.44 29.98 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 -1.62 5.57 0.38 -1.84 0.15 -0.86 -4.92 113.70 110.55 3kvz s SER 30 Ca 0.32 -0.96 0.05 0.00 0.70 0.00 0.00 55.95 56.06 3kvz s SER 30 Cb 0.17 -1.97 0.73 0.00 -1.71 0.00 0.00 66.02 63.24 3kvz s SER 30 CO 0.26 -0.34 2.00 -0.65 1.20 0.00 0.00 173.24 175.71 3kvz h PRO 31 N 8.36 0.61 -0.79 5.44 0.11 -1.89 -2.73 132.00 141.11 3kvz h PRO 31 Ca -0.26 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.80 3kvz h PRO 31 Cb 1.10 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 3kvz h PRO 31 CO 0.64 0.46 0.52 0.93 -0.21 0.00 0.00 178.00 180.35 3kvz h GLU 32 N 0.62 1.03 0.00 1.05 3.07 -1.97 -2.82 114.58 115.56 3kvz h GLU 32 Ca 0.16 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 3kvz h GLU 32 Cb 0.03 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 3kvz h GLU 32 CO -0.03 0.68 -0.62 0.74 -1.40 0.00 0.00 179.01 178.39 3kvz h PHE 33 N 1.06 0.00 -0.01 4.33 0.04 -1.85 -3.41 116.94 117.10 3kvz h PHE 33 Ca 0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.06 3kvz h PHE 33 Cb -0.10 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.05 3kvz h PHE 33 CO -0.00 0.14 0.01 0.00 -0.60 0.00 0.00 178.31 177.87 3kvz h ALA 34 N 1.86 1.28 -0.71 2.45 0.00 -1.22 -0.82 119.26 122.09 3kvz h ALA 34 Ca -0.02 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.42 3kvz h ALA 34 Cb 1.13 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.64 3kvz h ALA 34 CO 0.02 -0.01 -0.01 0.39 0.00 0.00 0.00 179.25 179.63 3kvz n GLU 35 N -3.46 2.70 -2.28 0.00 1.02 -1.26 -4.94 120.64 112.41 3kvz n GLU 35 Ca -0.03 -3.54 -0.31 0.00 -0.02 0.00 0.00 57.16 53.26 3kvz n GLU 35 Cb 0.09 -2.13 -0.02 0.00 -0.02 0.00 0.00 31.44 29.36 3kvz n GLU 35 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3kvz s PHE 36 N -3.54 3.52 0.52 -0.32 0.40 -0.31 -5.05 117.98 113.21 3kvz s PHE 36 Ca 0.53 1.31 -0.22 0.00 -0.60 0.00 0.00 56.93 57.96 3kvz s PHE 36 Cb 0.44 -2.69 -0.07 0.00 0.51 0.00 0.00 43.02 41.21 3kvz s PHE 36 CO 0.02 -0.44 1.17 -2.30 0.70 0.00 0.00 175.22 174.37 3kvz n PRO 37 N -1.99 1.45 -1.37 0.24 -0.02 -1.26 -4.85 135.00 127.20 3kvz n PRO 37 Ca 0.05 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 3kvz n PRO 37 Cb 0.54 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.64 3.13 -4.41 -0.52 -0.58 -1.26 -4.50 120.64 111.86 3kvz n GLU 38 Ca 0.10 -2.22 -0.25 0.00 -0.42 0.00 0.00 57.16 54.37 3kvz n GLU 38 Cb 0.44 -2.93 -0.11 0.00 -0.57 0.00 0.00 31.44 28.27 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 2.80 2.25 0.02 2.62 -7.23 -1.26 -4.21 120.40 115.40 3kvz s VAL 39 Ca 0.59 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.40 3kvz s VAL 39 Cb 0.16 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 3kvz s VAL 39 CO -0.06 -0.19 1.96 0.33 -0.31 0.00 0.00 175.10 176.83 3kvz n PHE 40 N 0.18 2.50 -2.38 2.82 7.35 -0.22 -2.82 117.46 124.88 3kvz n PHE 40 Ca -0.12 -0.32 -0.37 0.00 -0.76 0.00 0.00 57.45 55.88 3kvz n PHE 40 Cb 0.57 -2.78 -0.02 0.00 0.35 0.00 0.00 39.48 37.59 3kvz n PHE 40 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kvz s ALA 41 N 4.35 3.01 0.16 3.13 0.00 -0.91 -4.81 121.76 126.69 3kvz s ALA 41 Ca 0.89 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 53.53 3kvz s ALA 41 Cb -0.47 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.35 3kvz s ALA 41 CO 0.43 -0.48 1.79 1.15 0.00 0.00 0.00 175.76 178.66 3kvz h THR 42 N 1.98 1.02 -0.23 0.00 2.02 -1.93 0.16 112.91 115.93 3kvz h THR 42 Ca -0.49 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 66.60 3kvz h THR 42 Cb 1.23 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3kvz h THR 42 CO 0.61 0.08 0.16 1.23 0.37 0.00 0.00 175.52 177.97 3kvz h GLY 43 N 0.44 0.06 1.69 2.16 0.00 -1.99 0.17 103.07 105.60 3kvz h GLY 43 Ca 0.16 -0.02 -0.26 0.00 0.00 0.00 0.00 47.33 47.21 3kvz h GLY 43 CO -0.09 0.02 -1.16 0.74 0.00 0.00 0.00 176.54 176.05 3kvz h PHE 44 N 0.05 0.42 -0.41 5.60 0.04 -1.50 -1.87 116.94 119.28 3kvz h PHE 44 Ca 0.11 -0.30 -0.12 0.00 2.80 0.00 0.00 57.97 60.46 3kvz h PHE 44 Cb 0.37 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3kvz h PHE 44 CO -0.00 1.21 -0.24 1.98 -0.60 0.00 0.00 178.31 180.66 3kvz h MET 45 N 0.08 0.83 -0.05 1.51 4.05 -0.06 -0.40 114.93 120.89 3kvz h MET 45 Ca -0.11 -0.35 0.03 0.00 -0.28 0.00 0.00 59.70 58.99 3kvz h MET 45 Cb 1.88 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.62 3kvz h MET 45 CO 0.19 0.98 -0.12 0.28 0.23 0.00 0.00 176.91 178.47 3kvz h VAL 46 N 0.72 0.69 -0.75 -5.77 2.07 -0.68 -1.32 116.25 111.20 3kvz h VAL 46 Ca 0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.69 3kvz h VAL 46 Cb 0.77 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3kvz h VAL 46 CO 0.06 0.00 0.42 1.23 0.02 0.00 0.00 177.57 179.31 3kvz h GLY 47 N -0.18 1.14 1.25 2.17 0.00 -0.97 -0.09 103.07 106.39 3kvz h GLY 47 Ca 0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3kvz h GLY 47 CO -0.15 0.14 0.01 -2.00 0.00 0.00 0.00 176.54 174.54 3kvz h LEU 48 N 0.74 0.87 -0.18 3.11 5.85 -0.88 -1.13 115.31 123.69 3kvz h LEU 48 Ca 0.35 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3kvz h LEU 48 Cb 0.28 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3kvz h LEU 48 CO -0.22 0.93 -0.18 0.24 -0.34 0.00 0.00 178.44 178.87 3kvz h MET 49 N 0.84 0.45 0.05 1.25 2.86 -0.51 -2.65 114.93 117.21 3kvz h MET 49 Ca 0.16 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3kvz h MET 49 Cb 0.49 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3kvz h MET 49 CO 0.02 0.80 -0.25 0.93 1.06 0.00 0.00 176.91 179.47 3kvz h GLU 50 N 0.11 -0.40 -0.86 1.72 5.08 -0.93 -2.96 114.58 116.34 3kvz h GLU 50 Ca 0.03 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.64 3kvz h GLU 50 Cb 0.71 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.92 3kvz h GLU 50 CO 0.04 -0.27 0.22 2.35 -1.00 0.00 0.00 179.01 180.35 3kvz h TRP 51 N -0.42 0.32 -0.82 4.33 7.01 -1.19 0.15 115.95 125.33 3kvz h TRP 51 Ca 0.05 0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.18 3kvz h TRP 51 Cb 0.48 -0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.48 3kvz h TRP 51 CO -0.26 -0.19 0.53 0.00 -2.79 0.00 0.00 178.44 175.73 3kvz h ALA 52 N 1.76 1.67 0.22 2.65 0.00 -1.30 0.24 119.26 124.49 3kvz h ALA 52 Ca 0.53 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 55.13 3kvz h ALA 52 Cb 1.04 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 18.65 3kvz h ALA 52 CO -0.64 0.18 -1.34 0.00 0.00 0.00 0.00 179.25 177.45 3kvz h VAL 54 N -0.01 0.70 -0.32 0.00 2.07 -0.92 -0.89 116.25 116.87 3kvz h VAL 54 Ca -0.24 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3kvz h VAL 54 Cb 2.01 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3kvz h VAL 54 CO 0.23 0.07 -0.03 0.03 0.02 0.00 0.00 177.57 177.89 3kvz h ARG 55 N 0.38 0.58 -0.79 1.57 3.08 -0.83 -1.87 114.38 116.50 3kvz h ARG 55 Ca 0.34 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3kvz h ARG 55 Cb 0.48 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 3kvz h ARG 55 CO -0.36 0.73 0.41 0.00 -1.07 0.00 0.00 179.97 179.68 3kvz h ALA 56 N 0.83 1.24 0.00 0.04 0.00 -1.12 -2.87 119.26 117.38 3kvz h ALA 56 Ca 0.09 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3kvz h ALA 56 Cb 0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kvz h ALA 56 CO 0.02 0.60 -0.40 0.00 0.00 0.00 0.00 179.25 179.48 3kvz h MET 57 N 1.11 0.00 -0.79 0.00 -0.00 -1.10 -3.39 114.93 110.76 3kvz h MET 57 Ca 0.28 0.00 0.14 0.00 -0.00 0.00 0.00 59.70 60.11 3kvz h MET 57 Cb 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 31.51 3kvz h MET 57 CO -0.04 0.40 -0.32 0.00 -0.00 0.00 0.00 176.91 176.94 3kvz h ALA 58 N 1.60 0.17 0.00 -3.00 0.00 -1.10 0.24 119.26 117.17 3kvz h ALA 58 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kvz h ALA 58 Cb 1.20 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.81 3kvz h ALA 58 CO 0.05 -0.59 0.00 -0.35 0.00 0.00 0.00 179.25 178.36 3kvz n PRO 59 N -5.47 0.93 0.00 0.00 -0.05 -1.26 -1.88 135.00 127.27 3kvz n PRO 59 Ca 0.08 0.00 0.10 0.00 -0.05 0.00 0.00 63.50 63.64 3kvz n PRO 59 Cb 0.39 -1.04 0.08 0.00 -0.05 0.00 0.00 33.50 32.88 3kvz n PRO 59 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3kvz n TYR 60 N -0.54 0.00 -3.45 0.54 4.01 0.83 -4.99 117.16 113.56 3kvz n TYR 60 Ca 0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.38 3kvz n TYR 60 Cb 0.01 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.84 4.42 0.40 7.72 1.43 -0.79 -5.00 118.68 125.02 3kvz s LEU 61 Ca 0.24 0.92 -0.24 0.00 -1.03 0.00 0.00 54.13 54.02 3kvz s LEU 61 Cb 0.17 -2.61 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 3kvz s LEU 61 CO 0.30 0.24 1.03 -1.61 0.23 0.00 0.00 176.35 176.54 3kvz s GLU 62 N -0.62 4.20 0.12 1.70 0.41 -1.26 -4.93 118.70 118.31 3kvz s GLU 62 Ca 0.24 1.47 -0.35 0.00 -0.41 0.00 0.00 54.97 55.92 3kvz s GLU 62 Cb -0.16 -2.53 -0.17 0.00 -1.78 0.00 0.00 34.13 29.49 3kvz s GLU 62 CO 0.12 -0.10 1.08 -0.35 -0.49 0.00 0.00 175.26 175.52 3kvz n PRO 63 N -0.07 0.70 -0.98 0.39 -0.04 -1.26 -0.11 135.00 133.64 3kvz n PRO 63 Ca 0.05 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3kvz n PRO 63 Cb 0.50 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3kvz n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kvz n GLY 64 N 1.95 0.34 3.85 0.55 0.00 -1.26 -5.02 105.19 105.60 3kvz n GLY 64 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.72 3.83 0.00 1.61 2.02 0.85 -2.01 118.70 124.28 3kvz s GLU 65 Ca 0.00 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.30 3kvz s GLU 65 Cb 0.00 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.04 3kvz s GLU 65 CO 0.00 0.69 0.00 0.41 0.02 0.00 0.00 175.26 176.38 3kvz n GLY 66 N 1.74 6.20 3.54 -1.39 0.00 -0.52 -4.80 105.19 109.96 3kvz n GLY 66 Ca -0.14 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.60 0.08 1.61 1.04 -1.26 -0.61 113.70 114.96 3kvz s SER 67 Ca 0.00 0.68 0.08 0.00 0.48 0.00 0.00 55.95 57.19 3kvz s SER 67 Cb 0.00 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 3kvz s SER 67 CO 0.00 -0.54 -0.21 -0.76 0.98 0.00 0.00 173.24 172.71 3kvz s LEU 68 N -1.11 2.25 0.02 2.42 1.43 -0.81 -4.94 118.68 117.94 3kvz s LEU 68 Ca -0.09 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 3kvz s LEU 68 Cb -0.00 -0.91 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 3kvz s LEU 68 CO 0.08 0.09 1.39 -0.83 0.23 0.00 0.00 176.35 177.31 3kvz s GLY 69 N -1.66 1.90 0.00 -3.19 0.00 -1.26 -0.99 107.32 102.12 3kvz s GLY 69 Ca 0.07 0.91 0.12 0.00 0.00 0.00 0.00 44.72 45.81 3kvz s GLY 69 CO 0.03 2.47 0.58 -1.30 0.00 0.00 0.00 173.10 174.88 3kvz n THR 70 N 4.55 0.00 -3.55 0.90 -2.24 0.74 -4.94 114.28 109.73 3kvz n THR 70 Ca 0.13 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 3kvz n THR 70 Cb 0.44 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.93 -1.86 -0.07 6.98 0.00 -1.11 -4.97 121.76 118.81 3kvz s ALA 71 Ca 0.06 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 3kvz s ALA 71 Cb 0.09 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.88 3kvz s ALA 71 CO 0.43 -0.34 0.15 -1.50 0.00 0.00 0.00 175.76 174.49 3kvz s ILE 72 N -1.19 -0.06 -0.27 0.00 1.10 -1.26 -1.46 121.20 118.06 3kvz s ILE 72 Ca -0.06 0.19 -0.04 0.00 -0.51 0.00 0.00 60.65 60.24 3kvz s ILE 72 Cb -0.00 -0.25 0.10 0.00 0.15 0.00 0.00 42.46 42.46 3kvz s ILE 72 CO 0.05 0.08 0.15 0.00 -2.11 0.00 0.00 174.94 173.11 3kvz s VAL 74 N 2.15 0.15 0.33 0.00 -7.23 -1.26 -1.15 120.40 113.40 3kvz s VAL 74 Ca 0.08 -1.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.02 3kvz s VAL 74 Cb -0.16 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 3kvz s VAL 74 CO -0.32 -0.68 0.54 0.42 -0.31 0.00 0.00 175.10 174.76 3kvz s THR 75 N -3.40 5.10 -0.31 5.32 -4.23 -0.37 -4.93 115.64 112.82 3kvz s THR 75 Ca 0.02 -0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.13 3kvz s THR 75 Cb 0.03 -3.84 0.10 0.00 1.34 0.00 0.00 72.50 70.14 3kvz s THR 75 CO -0.08 -0.51 0.12 -2.28 -0.54 0.00 0.00 174.62 171.33 3kvz s HIS 76 N -2.26 1.30 -0.55 3.99 2.46 -1.26 -2.98 115.29 115.99 3kvz s HIS 76 Ca 0.40 -1.53 0.05 0.00 0.47 0.00 0.00 55.06 54.45 3kvz s HIS 76 Cb -0.10 -1.47 0.06 0.00 -0.13 0.00 0.00 32.58 30.94 3kvz s HIS 76 CO 0.35 -0.86 0.77 0.25 -2.47 0.00 0.00 174.74 172.78 3kvz n THR 77 N 4.87 0.25 -3.79 0.89 -2.24 0.21 -4.96 114.28 109.51 3kvz n THR 77 Ca -0.02 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 61.04 3kvz n THR 77 Cb 0.41 0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.55 -0.42 0.13 6.98 0.00 -1.23 -4.96 121.76 121.71 3kvz s ALA 78 Ca 0.07 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.61 3kvz s ALA 78 Cb 0.04 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 3kvz s ALA 78 CO 0.06 -0.54 0.18 0.00 0.00 0.00 0.00 175.76 175.46 3kvz s ALA 79 N -3.83 3.75 -0.18 0.00 0.00 -1.26 -4.86 121.76 115.39 3kvz s ALA 79 Ca 0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 3kvz s ALA 79 Cb 0.04 -1.56 0.05 0.00 0.00 0.00 0.00 23.12 21.65 3kvz s ALA 79 CO -0.11 0.59 0.02 0.99 0.00 0.00 0.00 175.76 177.24 3kvz s THR 80 N -1.66 0.63 0.74 0.00 2.01 -1.26 -5.01 115.64 111.08 3kvz s THR 80 Ca 0.32 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 3kvz s THR 80 Cb -0.11 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 71.40 3kvz s THR 80 CO 0.25 -0.10 1.08 -2.16 -0.69 0.00 0.00 174.62 173.00 3kvz s PRO 81 N 1.82 2.57 0.60 4.92 0.04 -1.26 -1.06 135.00 142.64 3kvz s PRO 81 Ca -0.00 1.05 -0.19 0.00 0.04 0.00 0.00 61.00 61.89 3kvz s PRO 81 Cb -0.16 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3kvz s PRO 81 CO -0.07 -1.38 1.13 -2.30 0.04 0.00 0.00 177.00 174.41 3kvz n PRO 82 N -3.33 1.10 0.00 0.56 -0.02 -1.26 -3.48 135.00 128.58 3kvz n PRO 82 Ca 0.08 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kvz n PRO 82 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 1.09 2.26 3.81 -1.23 0.00 0.20 -4.96 105.19 106.36 3kvz n GLY 83 Ca 0.14 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 3.73 -0.21 0.99 1.43 -1.23 -4.74 118.68 118.66 3kvz s LEU 84 Ca 0.00 1.83 -0.18 0.00 -1.03 0.00 0.00 54.13 54.75 3kvz s LEU 84 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.64 3kvz s LEU 84 CO 0.00 -0.83 0.52 -0.89 0.23 0.00 0.00 176.35 175.38 3kvz s THR 85 N -2.21 5.10 -0.20 5.49 2.01 -1.26 -1.40 115.64 123.17 3kvz s THR 85 Ca 0.65 0.96 -0.19 0.00 0.31 0.00 0.00 61.69 63.41 3kvz s THR 85 Cb -0.15 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 3kvz s THR 85 CO 0.26 0.17 0.55 -0.69 -0.69 0.00 0.00 174.62 174.21 3kvz s VAL 86 N 1.71 5.08 -0.22 3.82 1.01 0.13 -3.75 120.40 128.17 3kvz s VAL 86 Ca 0.24 1.03 -0.07 0.00 0.00 0.00 0.00 61.98 63.18 3kvz s VAL 86 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3kvz s VAL 86 CO 0.10 0.15 0.06 -0.89 0.00 0.00 0.00 175.10 174.51 3kvz s THR 87 N 1.74 4.37 -0.17 3.92 2.01 0.12 -0.83 115.64 126.80 3kvz s THR 87 Ca 0.25 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 3kvz s THR 87 Cb -0.16 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3kvz s THR 87 CO 0.10 0.38 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.70 3kvz s VAL 88 N 1.21 3.92 -0.20 3.82 1.01 -0.24 -1.68 120.40 128.24 3kvz s VAL 88 Ca 0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3kvz s VAL 88 Cb -0.14 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3kvz s VAL 88 CO 0.03 0.47 0.02 -0.89 0.00 0.00 0.00 175.10 174.73 3kvz s THR 89 N 0.59 4.10 -0.19 3.92 2.01 0.28 -1.37 115.64 124.99 3kvz s THR 89 Ca -0.02 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 3kvz s THR 89 Cb -0.14 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 3kvz s THR 89 CO 0.02 0.42 0.01 0.00 -0.69 0.00 0.00 174.62 174.38 3kvz s ALA 90 N 1.00 3.10 -0.15 7.40 0.00 0.28 -1.16 121.76 132.22 3kvz s ALA 90 Ca 0.02 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3kvz s ALA 90 Cb -0.14 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.23 3kvz s ALA 90 CO 0.02 -0.00 -0.20 -2.00 0.00 0.00 0.00 175.76 173.58 3kvz s GLU 91 N 0.74 2.81 -0.01 0.00 2.12 0.96 -0.83 118.70 124.49 3kvz s GLU 91 Ca 0.00 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 3kvz s GLU 91 Cb -0.14 -2.35 -0.05 0.00 0.26 0.00 0.00 34.13 31.84 3kvz s GLU 91 CO 0.02 -0.10 1.45 -1.17 -0.54 0.00 0.00 175.26 174.92 3kvz s LEU 92 N 1.05 4.31 -0.08 2.70 2.96 -0.87 0.11 118.68 128.85 3kvz s LEU 92 Ca -0.02 2.14 0.14 0.00 -0.22 0.00 0.00 54.13 56.16 3kvz s LEU 92 Cb -0.14 -3.56 -0.20 0.00 0.50 0.00 0.00 46.19 42.79 3kvz s LEU 92 CO -0.06 -0.77 0.18 0.54 -1.32 0.00 0.00 176.35 174.92 3kvz n ARG 93 N 5.72 1.13 -3.55 1.98 5.12 0.67 0.58 116.66 128.31 3kvz n ARG 93 Ca 0.14 -0.07 -0.13 0.00 -1.93 0.00 0.00 57.85 55.86 3kvz n ARG 93 Cb 0.43 -1.36 -0.05 0.00 -1.16 0.00 0.00 32.46 30.32 3kvz n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kvz s SER 94 N -4.28 -0.48 -0.02 0.55 1.04 -1.09 -4.88 113.70 104.55 3kvz s SER 94 Ca -0.06 0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.89 3kvz s SER 94 Cb 0.07 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 3kvz s SER 94 CO 0.60 -0.46 -0.09 -0.69 0.98 0.00 0.00 173.24 173.58 3kvz s VAL 95 N -1.26 0.74 -0.24 5.02 1.01 -1.26 -0.67 120.40 123.73 3kvz s VAL 95 Ca -0.05 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3kvz s VAL 95 Cb -0.00 -0.64 0.44 0.00 0.00 0.00 0.00 36.38 36.17 3kvz s VAL 95 CO 0.04 0.22 1.23 -1.84 0.00 0.00 0.00 175.10 174.75 3kvz n GLU 96 N 3.13 2.27 0.00 2.72 0.00 0.97 -4.94 120.64 124.80 3kvz n GLU 96 Ca -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 57.16 53.41 3kvz n GLU 96 Cb 0.55 -1.85 0.00 0.00 0.00 0.00 0.00 31.44 30.14 3kvz n GLU 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kvz n GLY 97 N -0.98 1.49 0.17 -1.84 0.00 -1.26 -4.30 105.19 98.47 3kvz n GLY 97 Ca 0.28 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.65 3kvz n GLY 97 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kvz h ARG 98 N 0.00 0.00 -4.66 1.61 -0.00 -1.94 -3.46 114.38 105.94 3kvz h ARG 98 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 59.98 59.38 3kvz h ARG 98 Cb 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 29.97 29.61 3kvz h ARG 98 CO 0.00 0.00 -0.83 -0.98 -0.00 0.00 0.00 179.97 178.16 3kvz s ARG 99 N -3.28 2.27 0.03 0.08 1.04 -1.26 -0.74 118.95 117.09 3kvz s ARG 99 Ca 0.07 -0.60 0.03 0.00 -1.04 0.00 0.00 55.73 54.19 3kvz s ARG 99 Cb 0.09 -2.15 -0.04 0.00 -2.04 0.00 0.00 34.95 30.81 3kvz s ARG 99 CO 0.57 -0.26 -0.04 -0.51 -0.04 0.00 0.00 175.30 175.01 3kvz s LEU 100 N 1.47 3.30 -0.09 -1.89 1.02 -0.22 -0.02 118.68 122.25 3kvz s LEU 100 Ca 0.04 -0.13 -0.00 0.00 0.02 0.00 0.00 54.13 54.05 3kvz s LEU 100 Cb -0.13 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.17 3kvz s LEU 100 CO -0.10 0.26 -0.06 -0.55 0.02 0.00 0.00 176.35 175.91 3kvz s SER 101 N -1.67 1.86 -0.09 2.29 0.15 0.15 -1.60 113.70 114.79 3kvz s SER 101 Ca 0.20 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 3kvz s SER 101 Cb -0.11 -0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 63.47 3kvz s SER 101 CO 0.11 -0.12 -0.00 0.26 1.20 0.00 0.00 173.24 174.69 3kvz s TRP 102 N 1.58 3.14 -0.21 3.44 0.52 0.13 -0.24 118.94 127.30 3kvz s TRP 102 Ca 0.01 0.16 -0.21 0.00 0.02 0.00 0.00 56.10 56.08 3kvz s TRP 102 Cb -0.13 -1.80 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 3kvz s TRP 102 CO -0.05 0.43 0.66 0.50 0.02 0.00 0.00 176.95 178.50 3kvz s ARG 103 N -0.80 4.19 -0.04 4.98 3.52 0.12 -1.35 118.95 129.56 3kvz s ARG 103 Ca 0.12 0.65 0.04 0.00 -0.13 0.00 0.00 55.73 56.41 3kvz s ARG 103 Cb -0.11 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 3kvz s ARG 103 CO 0.02 -0.31 -0.15 0.14 -0.81 0.00 0.00 175.30 174.19 3kvz s VAL 104 N 2.15 3.04 0.04 7.11 -7.23 0.34 -0.03 120.40 125.83 3kvz s VAL 104 Ca 0.29 -0.75 -0.01 0.00 -1.81 0.00 0.00 61.98 59.69 3kvz s VAL 104 Cb -0.16 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 3kvz s VAL 104 CO 0.10 0.58 -0.01 -0.94 -0.31 0.00 0.00 175.10 174.51 3kvz s SER 105 N -0.77 0.40 -0.01 4.85 1.04 -0.31 -0.11 113.70 118.79 3kvz s SER 105 Ca 0.12 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 3kvz s SER 105 Cb -0.11 0.18 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 3kvz s SER 105 CO 0.01 -0.53 0.04 0.00 0.98 0.00 0.00 173.24 173.74 3kvz s ALA 106 N -3.29 -0.10 0.32 5.32 0.00 0.21 -0.55 121.76 123.66 3kvz s ALA 106 Ca 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3kvz s ALA 106 Cb 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 3kvz s ALA 106 CO -0.08 -0.07 0.09 -3.38 0.00 0.00 0.00 175.76 172.32 3kvz s HIS 107 N -0.38 1.79 -0.15 0.00 -3.43 -0.67 -1.20 115.29 111.24 3kvz s HIS 107 Ca -0.04 -1.09 0.16 0.00 -0.80 0.00 0.00 55.06 53.28 3kvz s HIS 107 Cb -0.03 -1.13 0.33 0.00 -1.43 0.00 0.00 32.58 30.32 3kvz s HIS 107 CO 0.00 -0.17 1.17 -0.40 -2.00 0.00 0.00 174.74 173.34 3kvz n ASP 108 N -0.72 2.10 0.00 7.38 5.68 -0.13 -0.70 116.55 130.15 3kvz n ASP 108 Ca -0.02 -3.33 0.00 0.00 -0.50 0.00 0.00 54.79 50.95 3kvz n ASP 108 Cb 0.66 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 -1.30 3.10 0.90 6.12 0.00 -1.25 -4.10 105.19 108.67 3kvz n GLY 109 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 0.27 -4.28 1.61 0.31 -1.26 -5.03 118.33 107.94 3kvz n VAL 110 Ca 0.00 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.11 3kvz n VAL 110 Cb 0.00 -1.56 -0.12 0.00 -0.91 0.00 0.00 33.84 31.26 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 -5.36 2.38 0.17 4.52 1.01 -1.26 -5.10 116.67 113.03 3kvz s ASP 111 Ca -0.05 -0.78 -0.33 0.00 0.71 0.00 0.00 52.55 52.11 3kvz s ASP 111 Cb 0.02 -0.12 -0.13 0.00 1.01 0.00 0.00 42.92 43.70 3kvz s ASP 111 CO 0.06 -0.04 1.69 -0.62 0.21 0.00 0.00 175.17 176.47 3kvz n GLU 112 N 0.65 2.53 -0.00 8.23 -0.58 -1.26 -0.96 120.64 129.25 3kvz n GLU 112 Ca -0.16 0.92 0.03 0.00 -0.42 0.00 0.00 57.16 57.52 3kvz n GLU 112 Cb 0.56 -2.74 -0.04 0.00 -0.57 0.00 0.00 31.44 28.65 3kvz n GLU 112 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3kvz n ILE 113 N 3.90 0.00 0.00 -3.67 -5.35 -0.34 -4.29 119.36 109.61 3kvz n ILE 113 Ca 0.17 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 3kvz n ILE 113 Cb 0.33 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 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 2.10 1.44 3.02 3.28 0.00 -1.06 0.66 105.19 114.64 3kvz n GLY 114 Ca -0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 3kvz n GLY 114 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kvz s SER 115 N 0.00 0.07 0.00 1.61 0.15 -1.16 -0.62 113.70 113.75 3kvz s SER 115 Ca 0.00 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.44 3kvz s SER 115 Cb 0.00 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 3kvz s SER 115 CO 0.00 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.80 3kvz n GLY 116 N 1.93 -0.37 2.97 9.45 0.00 0.84 -1.23 105.19 118.77 3kvz n GLY 116 Ca -0.20 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 0.54 0.02 2.61 -4.23 -0.30 -0.50 115.64 109.77 3kvz s THR 117 Ca 0.00 -0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.33 3kvz s THR 117 Cb 0.00 -0.48 -0.02 0.00 1.34 0.00 0.00 72.50 73.34 3kvz s THR 117 CO 0.00 0.17 -0.22 -2.28 -0.54 0.00 0.00 174.62 171.75 3kvz s HIS 118 N 0.06 1.92 0.02 3.99 5.04 -0.46 -1.03 115.29 124.84 3kvz s HIS 118 Ca -0.00 -0.37 0.05 0.00 -1.54 0.00 0.00 55.06 53.19 3kvz s HIS 118 Cb -0.05 -1.19 -0.02 0.00 0.04 0.00 0.00 32.58 31.36 3kvz s HIS 118 CO -0.00 0.04 -0.15 -1.21 -2.34 0.00 0.00 174.74 171.07 3kvz s GLU 119 N -0.88 1.11 0.05 2.88 2.02 -0.54 0.18 118.70 123.53 3kvz s GLU 119 Ca 0.08 -0.69 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 3kvz s GLU 119 Cb -0.09 -1.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.99 3kvz s GLU 119 CO 0.01 0.29 -0.03 1.03 0.02 0.00 0.00 175.26 176.57 3kvz s ARG 120 N -0.83 0.62 -0.10 1.61 0.52 -0.63 -0.19 118.95 119.96 3kvz s ARG 120 Ca 0.04 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 3kvz s ARG 120 Cb -0.07 0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.59 3kvz s ARG 120 CO 0.01 -0.10 -0.09 0.00 0.02 0.00 0.00 175.30 175.14 3kvz s ALA 121 N -3.84 1.30 0.21 2.13 0.00 -0.16 -1.06 121.76 120.34 3kvz s ALA 121 Ca 0.07 -0.50 -0.32 0.00 0.00 0.00 0.00 51.96 51.21 3kvz s ALA 121 Cb 0.07 -0.81 -0.11 0.00 0.00 0.00 0.00 23.12 22.27 3kvz s ALA 121 CO -0.09 -0.27 1.66 0.08 0.00 0.00 0.00 175.76 177.14 3kvz s VAL 122 N 1.42 2.20 0.21 0.00 1.01 0.08 -1.92 120.40 123.40 3kvz s VAL 122 Ca -0.00 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.21 3kvz s VAL 122 Cb -0.13 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3kvz s VAL 122 CO -0.05 0.01 -0.17 0.27 0.00 0.00 0.00 175.10 175.16 3kvz s ILE 123 N 1.01 1.96 -0.41 2.22 -4.36 0.22 -4.94 121.20 116.91 3kvz s ILE 123 Ca 0.72 -2.17 -0.22 0.00 -0.26 0.00 0.00 60.65 58.72 3kvz s ILE 123 Cb -0.48 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.19 3kvz s ILE 123 CO 0.34 -0.46 0.70 -2.28 0.24 0.00 0.00 174.94 173.48 3kvz s HIS 124 N -2.56 3.08 0.16 1.37 5.04 -1.26 -1.44 115.29 119.67 3kvz s HIS 124 Ca 0.22 0.20 -0.14 0.00 -1.54 0.00 0.00 55.06 53.80 3kvz s HIS 124 Cb -0.03 -3.38 0.04 0.00 0.04 0.00 0.00 32.58 29.25 3kvz s HIS 124 CO 0.09 -0.81 1.75 -0.07 -2.34 0.00 0.00 174.74 173.36 3kvz h LEU 125 N 9.73 0.64 -0.12 8.88 3.38 -1.75 0.11 115.31 136.19 3kvz h LEU 125 Ca -0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3kvz h LEU 125 Cb 1.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3kvz h LEU 125 CO 0.90 0.57 0.04 -0.33 0.09 0.00 0.00 178.44 179.71 3kvz h GLU 126 N 0.66 0.18 -0.00 1.13 3.07 -1.95 0.70 114.58 118.38 3kvz h GLU 126 Ca 0.17 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3kvz h GLU 126 Cb 0.08 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3kvz h GLU 126 CO -0.03 0.30 -0.20 1.17 -1.40 0.00 0.00 179.01 178.85 3kvz n LYS 127 N -4.89 0.48 -0.02 2.33 3.00 -1.16 -1.34 118.16 116.56 3kvz n LYS 127 Ca -0.05 -0.20 -0.16 0.00 -0.00 0.00 0.00 58.31 57.89 3kvz n LYS 127 Cb 0.12 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.56 3kvz n LYS 127 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 3kvz h PHE 128 N 0.49 0.56 0.00 5.64 3.57 -0.58 -3.27 116.94 123.34 3kvz h PHE 128 Ca 0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3kvz h PHE 128 Cb 0.43 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3kvz h PHE 128 CO 0.00 1.06 0.00 0.09 -2.23 0.00 0.00 178.31 177.23 3kvz n ASN 129 N -4.30 0.74 -0.02 0.41 3.02 0.22 -1.72 115.26 113.61 3kvz n ASN 129 Ca -0.09 0.65 -0.13 0.00 -0.03 0.00 0.00 54.58 54.98 3kvz n ASN 129 Cb 0.59 -0.82 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 3kvz n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kvz h ALA 130 N 2.31 -0.04 -0.50 5.41 0.00 -1.34 -2.95 119.26 122.15 3kvz h ALA 130 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3kvz h ALA 130 Cb 0.46 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kvz h ALA 130 CO 0.00 -0.20 0.08 0.87 0.00 0.00 0.00 179.25 180.00 3kvz h LYS 131 N -0.69 0.78 -0.20 0.00 1.57 -1.48 -1.30 116.57 115.25 3kvz h LYS 131 Ca -0.00 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 3kvz h LYS 131 Cb 0.63 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3kvz h LYS 131 CO 0.01 0.73 -0.32 -0.24 -0.57 0.00 0.00 179.45 179.07 3kvz h VAL 132 N 0.74 1.28 -0.14 0.50 3.04 -1.48 -2.99 116.25 117.20 3kvz h VAL 132 Ca 0.16 -1.36 -0.07 0.00 -1.01 0.00 0.00 66.70 64.41 3kvz h VAL 132 Cb 0.34 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 3kvz h VAL 132 CO 0.01 0.42 -0.23 -0.09 -1.01 0.00 0.00 177.57 176.66 3kvz h ARG 133 N 0.35 0.25 0.00 4.17 2.43 -1.09 -1.69 114.38 118.79 3kvz h ARG 133 Ca 0.04 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3kvz h ARG 133 Cb 0.73 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3kvz h ARG 133 CO 0.06 0.48 0.00 0.00 -1.51 0.00 0.00 179.97 178.99 3kvz n GLN 134 N -4.18 0.64 -0.06 0.20 10.64 -0.61 -2.54 117.38 121.47 3kvz n GLN 134 Ca -0.01 0.02 0.07 0.00 -1.83 0.00 0.00 57.00 55.25 3kvz n GLN 134 Cb 0.35 -1.50 0.10 0.00 -0.86 0.00 0.00 30.24 28.32 3kvz n GLN 134 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 3kvz n LYS 135 N -1.10 1.69 -3.12 2.61 2.85 -0.67 -5.01 118.16 115.41 3kvz n LYS 135 Ca 0.17 -2.20 -0.40 0.00 -1.05 0.00 0.00 58.31 54.82 3kvz n LYS 135 Cb 0.13 -1.32 -0.06 0.00 -0.65 0.00 0.00 35.03 33.14 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 -2.23 5.03 -2.00 0.58 2.01 -1.03 -5.10 115.64 112.90 3kvz s THR 136 Ca 0.22 1.21 0.12 0.00 0.31 0.00 0.00 61.69 63.54 3kvz s THR 136 Cb 0.19 -3.95 0.33 0.00 0.01 0.00 0.00 72.50 69.08 3kvz s THR 136 CO 0.02 0.14 1.12 -0.81 -0.69 0.00 0.00 174.62 174.40