#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 4.27 -0.11 3.17 0.52 -1.26 -5.01 118.95 120.53 3kvz s ARG 6 Ca 0.00 0.84 -0.40 0.00 -0.52 0.00 0.00 55.73 55.65 3kvz s ARG 6 Cb 0.00 -3.57 -0.17 0.00 0.52 0.00 0.00 34.95 31.73 3kvz s ARG 6 CO 0.00 -0.27 1.44 0.28 0.02 0.00 0.00 175.30 176.77 3kvz n VAL 7 N 4.68 0.09 -0.07 3.52 0.31 -1.26 -1.11 118.33 124.48 3kvz n VAL 7 Ca 0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kvz n VAL 7 Cb 0.49 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 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 3.02 0.48 3.75 2.92 0.00 0.67 -5.00 105.19 111.03 3kvz n GLY 8 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.88 4.41 -0.00 1.61 1.03 -0.27 -4.77 118.70 119.83 3kvz s GLU 9 Ca 0.00 2.08 0.06 0.00 0.03 0.00 0.00 54.97 57.14 3kvz s GLU 9 Cb 0.00 -3.15 -0.03 0.00 -0.80 0.00 0.00 34.13 30.15 3kvz s GLU 9 CO 0.00 -0.18 -0.17 1.03 -1.33 0.00 0.00 175.26 174.61 3kvz s ARG 10 N -0.83 2.28 -0.01 -4.83 0.52 -1.26 -1.53 118.95 113.29 3kvz s ARG 10 Ca 0.53 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 3kvz s ARG 10 Cb -0.37 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 32.83 3kvz s ARG 10 CO 0.43 0.58 -0.05 0.12 0.02 0.00 0.00 175.30 176.41 3kvz s PHE 11 N -0.82 0.49 0.16 -0.53 5.36 0.26 -4.98 117.98 117.91 3kvz s PHE 11 Ca 0.13 -0.09 0.06 0.00 -0.96 0.00 0.00 56.93 56.07 3kvz s PHE 11 Cb -0.11 -0.34 -0.04 0.00 -0.34 0.00 0.00 43.02 42.19 3kvz s PHE 11 CO 0.03 -0.03 -0.14 0.95 -1.46 0.00 0.00 175.22 174.57 3kvz s THR 12 N 0.05 1.46 -0.20 0.12 -4.23 -1.26 -0.73 115.64 110.85 3kvz s THR 12 Ca -0.00 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 58.50 3kvz s THR 12 Cb -0.04 -1.79 0.10 0.00 1.34 0.00 0.00 72.50 72.11 3kvz s THR 12 CO -0.00 -0.54 0.35 -2.28 -0.54 0.00 0.00 174.62 171.61 3kvz s HIS 13 N -2.65 -0.68 -0.02 3.99 2.46 -0.59 -4.99 115.29 112.81 3kvz s HIS 13 Ca 0.15 1.04 0.01 0.00 0.47 0.00 0.00 55.06 56.73 3kvz s HIS 13 Cb -0.02 0.07 -0.04 0.00 -0.13 0.00 0.00 32.58 32.46 3kvz s HIS 13 CO 0.04 -0.55 0.01 -0.51 -2.47 0.00 0.00 174.74 171.26 3kvz s ASP 14 N 2.52 5.22 -0.20 9.88 1.01 -1.26 -0.31 116.67 133.54 3kvz s ASP 14 Ca 0.05 0.04 -0.04 0.00 0.71 0.00 0.00 52.55 53.31 3kvz s ASP 14 Cb -0.14 -1.40 0.09 0.00 1.01 0.00 0.00 42.92 42.49 3kvz s ASP 14 CO -0.13 0.30 0.23 0.12 0.21 0.00 0.00 175.17 175.90 3kvz s PHE 15 N -1.07 -0.31 -0.12 4.23 5.36 -0.05 -4.97 117.98 121.04 3kvz s PHE 15 Ca 0.19 0.29 -0.29 0.00 -0.96 0.00 0.00 56.93 56.16 3kvz s PHE 15 Cb -0.12 -0.33 -0.03 0.00 -0.34 0.00 0.00 43.02 42.21 3kvz s PHE 15 CO 0.09 -0.59 1.35 0.08 -1.46 0.00 0.00 175.22 174.69 3kvz s VAL 16 N 2.34 4.10 -0.12 3.12 1.01 -1.26 -0.82 120.40 128.78 3kvz s VAL 16 Ca 0.07 1.35 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 3kvz s VAL 16 Cb -0.15 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3kvz s VAL 16 CO -0.12 -0.10 1.64 -0.69 0.00 0.00 0.00 175.10 175.82 3kvz s VAL 17 N 3.42 3.64 0.60 2.92 1.01 -0.16 -4.87 120.40 126.96 3kvz s VAL 17 Ca 0.59 0.76 -0.09 0.00 0.00 0.00 0.00 61.98 63.24 3kvz s VAL 17 Cb -0.25 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3kvz s VAL 17 CO 0.19 -0.13 0.96 -2.16 0.00 0.00 0.00 175.10 173.96 3kvz s PRO 18 N 4.27 3.28 0.64 2.72 0.04 -1.26 0.08 135.00 144.76 3kvz s PRO 18 Ca 0.72 0.41 0.38 0.00 0.04 0.00 0.00 61.00 62.55 3kvz s PRO 18 Cb -0.30 -2.17 2.14 0.00 0.04 0.00 0.00 34.50 34.21 3kvz s PRO 18 CO 0.29 -0.62 2.30 -1.35 0.04 0.00 0.00 177.00 177.66 3kvz h PRO 19 N -0.24 0.00 -0.57 0.56 0.11 -1.95 -2.73 132.00 127.18 3kvz h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kvz h PRO 19 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kvz h PRO 19 CO 0.62 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.02 3kvz n HIS 20 N -3.40 0.74 -1.20 0.65 1.44 -1.26 -3.49 115.22 108.71 3kvz n HIS 20 Ca -0.03 -0.30 0.05 0.00 -2.01 0.00 0.00 57.72 55.43 3kvz n HIS 20 Cb 0.10 -0.14 0.21 0.00 0.12 0.00 0.00 29.99 30.28 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 0.45 2.13 -2.39 -1.40 4.76 -1.03 -4.76 118.16 115.92 3kvz n LYS 21 Ca 0.13 -2.92 -0.24 0.00 -2.87 0.00 0.00 58.31 52.40 3kvz n LYS 21 Cb 0.50 -1.74 0.09 0.00 -1.84 0.00 0.00 35.03 32.03 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 -3.00 2.29 0.22 -0.18 -4.23 -1.23 -1.92 115.64 107.59 3kvz s THR 22 Ca 0.40 -0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 60.40 3kvz s THR 22 Cb 0.35 -2.86 0.19 0.00 1.34 0.00 0.00 72.50 71.51 3kvz s THR 22 CO 0.04 0.00 1.87 1.62 -0.54 0.00 0.00 174.62 177.61 3kvz h VAL 23 N -0.53 1.23 0.00 2.29 3.04 -1.66 -1.51 116.25 119.11 3kvz h VAL 23 Ca -0.41 -0.50 -0.00 0.00 -1.01 0.00 0.00 66.70 64.78 3kvz h VAL 23 Cb 1.29 0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.62 3kvz h VAL 23 CO 0.50 0.24 -0.02 0.08 -1.01 0.00 0.00 177.57 177.36 3kvz h ARG 24 N 1.15 0.00 0.00 4.17 0.11 -1.88 -1.77 114.38 116.16 3kvz h ARG 24 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 3kvz h ARG 24 Cb -0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.02 3kvz h ARG 24 CO -0.06 0.02 -0.24 0.72 0.10 0.00 0.00 179.97 180.51 3kvz n HIS 25 N -3.19 0.47 0.00 4.08 8.25 -0.57 -3.14 115.22 121.13 3kvz n HIS 25 Ca -0.02 0.14 -0.18 0.00 -0.26 0.00 0.00 57.72 57.40 3kvz n HIS 25 Cb 0.16 -0.66 -0.11 0.00 1.12 0.00 0.00 29.99 30.50 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 0.55 -7.22 2.41 5.85 -1.29 -3.37 115.31 112.22 3kvz h LEU 26 Ca 0.00 -0.76 -0.63 0.00 0.84 0.00 0.00 57.88 57.33 3kvz h LEU 26 Cb 0.65 -0.17 -0.41 0.00 0.37 0.00 0.00 40.66 41.10 3kvz h LEU 26 CO 0.00 1.23 -0.61 -0.31 -0.34 0.00 0.00 178.44 178.41 3kvz s TYR 27 N -3.22 3.27 0.60 1.25 2.02 -1.25 -4.96 117.35 115.07 3kvz s TYR 27 Ca -0.13 -3.21 0.32 0.00 -0.37 0.00 0.00 57.07 53.68 3kvz s TYR 27 Cb 0.04 -2.71 1.93 0.00 -0.40 0.00 0.00 41.96 40.82 3kvz s TYR 27 CO 0.83 -0.66 2.28 -1.35 -1.57 0.00 0.00 175.55 175.07 3kvz h PRO 28 N 6.02 0.00 -0.57 -1.71 0.11 -1.72 -0.31 132.00 133.82 3kvz h PRO 28 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3kvz h PRO 28 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3kvz h PRO 28 CO 0.69 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 3kvz n GLU 29 N -3.72 1.66 -3.41 1.05 0.00 -1.26 -4.81 120.64 110.16 3kvz n GLU 29 Ca -0.03 -0.66 -0.43 0.00 0.00 0.00 0.00 57.16 56.04 3kvz n GLU 29 Cb 0.08 -1.43 -0.09 0.00 0.00 0.00 0.00 31.44 30.00 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 -0.55 6.14 0.34 -1.84 0.15 -0.13 -4.90 113.70 112.91 3kvz s SER 30 Ca 0.12 -0.86 0.05 0.00 0.70 0.00 0.00 55.95 55.95 3kvz s SER 30 Cb 0.08 -2.18 0.60 0.00 -1.71 0.00 0.00 66.02 62.81 3kvz s SER 30 CO 0.05 -0.51 1.86 -0.65 1.20 0.00 0.00 173.24 175.20 3kvz h PRO 31 N 8.67 0.48 0.00 5.44 0.11 -1.88 -2.30 132.00 142.52 3kvz h PRO 31 Ca -0.27 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3kvz h PRO 31 Cb 1.12 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kvz h PRO 31 CO 0.76 0.55 -0.09 0.93 -0.21 0.00 0.00 178.00 179.93 3kvz h GLU 32 N 0.45 0.00 0.00 1.05 3.07 -1.96 -1.96 114.58 115.24 3kvz h GLU 32 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3kvz h GLU 32 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3kvz h GLU 32 CO 0.02 0.09 -0.94 1.19 -1.40 0.00 0.00 179.01 177.97 3kvz n PHE 33 N -3.22 0.12 -0.27 4.33 0.99 -1.13 -4.61 117.46 113.67 3kvz n PHE 33 Ca 0.01 0.04 0.30 0.00 -0.00 0.00 0.00 57.45 57.79 3kvz n PHE 33 Cb 0.37 -0.28 0.68 0.00 -1.00 0.00 0.00 39.48 39.25 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 2.75 2.80 -0.11 4.37 0.00 -0.77 -1.15 119.26 127.15 3kvz h ALA 34 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kvz h ALA 34 Cb 0.63 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kvz h ALA 34 CO 0.00 -1.12 0.00 -0.85 0.00 0.00 0.00 179.25 177.28 3kvz n GLU 35 N -4.32 2.93 -0.76 0.00 0.28 -1.26 -4.91 120.64 112.61 3kvz n GLU 35 Ca 0.23 -1.71 -0.32 0.00 -0.16 0.00 0.00 57.16 55.20 3kvz n GLU 35 Cb 1.04 -1.10 0.14 0.00 1.43 0.00 0.00 31.44 32.95 3kvz n GLU 35 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3kvz n PHE 36 N -0.19 -0.93 -1.59 -1.84 3.72 -0.43 -4.96 117.46 111.23 3kvz n PHE 36 Ca 0.04 0.26 -0.35 0.00 -0.05 0.00 0.00 57.45 57.35 3kvz n PHE 36 Cb 0.32 -1.82 0.08 0.00 -0.94 0.00 0.00 39.48 37.12 3kvz n PHE 36 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3kvz s PRO 37 N -3.87 2.36 -1.28 -1.08 0.02 -1.26 -4.90 135.00 124.99 3kvz s PRO 37 Ca 0.59 1.84 -0.14 0.00 0.02 0.00 0.00 61.00 63.31 3kvz s PRO 37 Cb -0.21 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.59 3kvz s PRO 37 CO 0.65 -1.69 1.69 0.39 -0.33 0.00 0.00 177.00 177.71 3kvz n GLU 38 N -2.37 3.31 -4.10 5.54 -0.58 -1.26 -4.47 120.64 116.71 3kvz n GLU 38 Ca 0.14 -3.50 -0.11 0.00 -0.42 0.00 0.00 57.16 53.27 3kvz n GLU 38 Cb 0.50 -3.17 -0.11 0.00 -0.57 0.00 0.00 31.44 28.09 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 2.26 0.54 -0.14 2.62 -7.23 -1.26 -4.31 120.40 112.88 3kvz s VAL 39 Ca 0.46 -1.49 -0.35 0.00 -1.81 0.00 0.00 61.98 58.79 3kvz s VAL 39 Cb 0.03 -1.11 -0.12 0.00 0.56 0.00 0.00 36.38 35.74 3kvz s VAL 39 CO 0.01 -0.65 1.88 0.33 -0.31 0.00 0.00 175.10 176.37 3kvz n PHE 40 N 0.73 2.25 -1.93 2.82 -0.00 -0.37 -2.20 117.46 118.76 3kvz n PHE 40 Ca -0.18 0.09 -0.37 0.00 -0.00 0.00 0.00 57.45 56.99 3kvz n PHE 40 Cb 0.58 -2.63 0.04 0.00 -0.00 0.00 0.00 39.48 37.46 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 4.23 2.68 0.39 3.13 0.00 -0.81 -4.81 121.76 126.56 3kvz s ALA 41 Ca 0.95 1.14 0.09 0.00 0.00 0.00 0.00 51.96 54.14 3kvz s ALA 41 Cb -0.76 -3.50 0.80 0.00 0.00 0.00 0.00 23.12 19.66 3kvz s ALA 41 CO 0.54 -1.23 1.93 1.15 0.00 0.00 0.00 175.76 178.15 3kvz h THR 42 N 1.17 1.17 -0.50 0.00 2.02 -1.93 -1.55 112.91 113.29 3kvz h THR 42 Ca -0.51 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 65.89 3kvz h THR 42 Cb 1.30 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3kvz h THR 42 CO 0.56 0.22 -0.00 1.23 0.37 0.00 0.00 175.52 177.91 3kvz h GLY 43 N 0.70 0.96 1.30 2.16 0.00 -1.98 -1.15 103.07 105.05 3kvz h GLY 43 Ca 0.05 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 3kvz h GLY 43 CO 0.02 0.65 -0.13 0.74 0.00 0.00 0.00 176.54 177.81 3kvz h PHE 44 N 0.75 0.91 -0.66 5.60 0.04 -1.84 -1.77 116.94 119.98 3kvz h PHE 44 Ca 0.14 -0.18 0.03 0.00 2.80 0.00 0.00 57.97 60.76 3kvz h PHE 44 Cb 0.52 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 3kvz h PHE 44 CO 0.04 0.90 0.41 1.98 -0.60 0.00 0.00 178.31 181.04 3kvz h MET 45 N 0.74 0.77 -0.67 1.51 4.05 -1.11 0.74 114.93 120.96 3kvz h MET 45 Ca 0.12 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 3kvz h MET 45 Cb 0.64 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 3kvz h MET 45 CO 0.04 0.51 0.36 0.28 0.23 0.00 0.00 176.91 178.33 3kvz h VAL 46 N 0.80 1.21 -0.57 -5.77 2.07 -1.04 0.73 116.25 113.67 3kvz h VAL 46 Ca 0.26 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3kvz h VAL 46 Cb 0.02 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3kvz h VAL 46 CO -0.11 0.24 0.32 1.23 0.02 0.00 0.00 177.57 179.27 3kvz h GLY 47 N 0.92 0.85 1.19 2.17 0.00 -1.07 -0.52 103.07 106.60 3kvz h GLY 47 Ca 0.23 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3kvz h GLY 47 CO -0.04 0.36 -0.01 -2.00 0.00 0.00 0.00 176.54 174.86 3kvz h LEU 48 N 0.77 0.95 -0.57 3.11 5.85 -0.27 -1.28 115.31 123.88 3kvz h LEU 48 Ca 0.20 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3kvz h LEU 48 Cb 0.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3kvz h LEU 48 CO -0.03 1.01 -0.03 0.24 -0.34 0.00 0.00 178.44 179.29 3kvz h MET 49 N 0.89 1.02 -0.79 1.25 2.86 -0.69 -2.60 114.93 116.87 3kvz h MET 49 Ca 0.16 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3kvz h MET 49 Cb 0.54 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 3kvz h MET 49 CO 0.03 1.03 0.52 0.93 1.06 0.00 0.00 176.91 180.48 3kvz h GLU 50 N 0.91 1.04 -0.94 1.72 5.08 -0.96 -2.80 114.58 118.62 3kvz h GLU 50 Ca 0.16 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3kvz h GLU 50 Cb 0.59 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 3kvz h GLU 50 CO 0.04 0.69 0.61 2.35 -1.00 0.00 0.00 179.01 181.69 3kvz h TRP 51 N 1.07 1.13 -0.55 4.33 7.01 -1.07 0.23 115.95 128.10 3kvz h TRP 51 Ca 0.29 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.29 3kvz h TRP 51 Cb -0.12 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 26.54 3kvz h TRP 51 CO -0.02 0.63 0.24 0.00 -2.79 0.00 0.00 178.44 176.49 3kvz h ALA 52 N 1.40 0.72 -0.19 2.65 0.00 -1.26 -1.16 119.26 121.43 3kvz h ALA 52 Ca 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kvz h ALA 52 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kvz h ALA 52 CO -0.14 0.32 0.07 0.00 0.00 0.00 0.00 179.25 179.50 3kvz h VAL 54 N 0.14 0.67 -0.77 0.00 2.07 -0.50 -1.96 116.25 115.89 3kvz h VAL 54 Ca 0.06 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3kvz h VAL 54 Cb 0.18 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3kvz h VAL 54 CO -0.00 0.01 0.44 0.03 0.02 0.00 0.00 177.57 178.06 3kvz h ARG 55 N 0.06 1.07 -0.56 1.57 3.08 -1.12 -1.94 114.38 116.53 3kvz h ARG 55 Ca 0.19 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3kvz h ARG 55 Cb 0.28 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3kvz h ARG 55 CO -0.35 0.78 0.19 0.00 -1.07 0.00 0.00 179.97 179.52 3kvz h ALA 56 N 1.23 1.28 -0.01 0.04 0.00 -1.04 -2.90 119.26 117.85 3kvz h ALA 56 Ca 0.27 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3kvz h ALA 56 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kvz h ALA 56 CO -0.05 0.52 -0.75 0.52 0.00 0.00 0.00 179.25 179.50 3kvz h MET 57 N 0.82 0.10 -0.89 0.00 2.86 -1.20 -3.36 114.93 113.25 3kvz h MET 57 Ca 0.19 -0.10 0.18 0.00 -2.06 0.00 0.00 59.70 57.91 3kvz h MET 57 Cb 0.22 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.79 3kvz h MET 57 CO -0.01 0.80 0.45 0.00 1.06 0.00 0.00 176.91 179.21 3kvz h ALA 58 N 1.17 1.39 0.00 6.32 0.00 -1.14 -0.71 119.26 126.29 3kvz h ALA 58 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kvz h ALA 58 Cb 1.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3kvz h ALA 58 CO 0.11 -0.17 0.00 -0.35 0.00 0.00 0.00 179.25 178.84 3kvz n PRO 59 N -4.91 0.32 -0.03 0.00 -0.04 -1.26 -2.49 135.00 126.59 3kvz n PRO 59 Ca 0.20 0.09 0.04 0.00 -0.04 0.00 0.00 63.50 63.79 3kvz n PRO 59 Cb 0.53 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 3kvz n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kvz n TYR 60 N -1.18 0.07 -3.74 0.54 4.01 -0.28 -4.97 117.16 111.62 3kvz n TYR 60 Ca 0.09 -0.11 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 3kvz n TYR 60 Cb 0.10 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.73 4.35 0.50 7.72 1.43 -1.04 -4.97 118.68 125.94 3kvz s LEU 61 Ca 0.11 0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 3kvz s LEU 61 Cb 0.07 -2.81 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 3kvz s LEU 61 CO 0.10 0.21 0.97 -1.61 0.23 0.00 0.00 176.35 176.25 3kvz s GLU 62 N -1.94 3.96 -0.13 1.70 0.41 -1.26 -4.97 118.70 116.47 3kvz s GLU 62 Ca 0.30 0.94 -0.39 0.00 -0.41 0.00 0.00 54.97 55.41 3kvz s GLU 62 Cb -0.13 -2.16 -0.16 0.00 -1.78 0.00 0.00 34.13 29.90 3kvz s GLU 62 CO 0.18 -0.23 1.61 -2.30 -0.49 0.00 0.00 175.26 174.03 3kvz n PRO 63 N -1.47 1.23 -0.04 0.39 -0.02 -1.26 -1.46 135.00 132.36 3kvz n PRO 63 Ca 0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kvz n PRO 63 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3kvz n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvz n GLY 64 N 3.61 0.91 3.82 -1.23 0.00 -1.26 -5.06 105.19 105.98 3kvz n GLY 64 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.68 4.16 0.00 1.61 2.02 -0.54 -1.36 118.70 123.90 3kvz s GLU 65 Ca 0.00 0.71 0.00 0.00 0.02 0.00 0.00 54.97 55.70 3kvz s GLU 65 Cb 0.00 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3kvz s GLU 65 CO 0.00 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.20 3kvz n GLY 66 N 1.11 6.19 3.32 -1.39 0.00 0.80 -4.81 105.19 110.41 3kvz n GLY 66 Ca -0.06 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.25 0.11 1.61 1.04 -1.26 0.06 113.70 116.01 3kvz s SER 67 Ca 0.00 -0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.34 3kvz s SER 67 Cb 0.00 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3kvz s SER 67 CO 0.00 -0.76 -0.17 -0.76 0.98 0.00 0.00 173.24 172.53 3kvz s LEU 68 N -2.40 2.35 0.03 2.42 1.43 -0.41 -4.91 118.68 117.18 3kvz s LEU 68 Ca -0.01 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 3kvz s LEU 68 Cb 0.01 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 3kvz s LEU 68 CO -0.07 -0.04 0.97 -0.83 0.23 0.00 0.00 176.35 176.61 3kvz s GLY 69 N -2.15 2.93 -0.00 -3.19 0.00 -1.26 -0.14 107.32 103.50 3kvz s GLY 69 Ca 0.07 0.54 0.10 0.00 0.00 0.00 0.00 44.72 45.43 3kvz s GLY 69 CO 0.04 1.61 0.36 -1.30 0.00 0.00 0.00 173.10 173.82 3kvz n THR 70 N 3.58 0.00 -3.59 0.90 -2.24 0.15 -4.91 114.28 108.16 3kvz n THR 70 Ca 0.05 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 3kvz n THR 70 Cb 0.50 0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.19 -1.72 -0.03 6.98 0.00 -1.13 -4.95 121.76 118.71 3kvz s ALA 71 Ca 0.01 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3kvz s ALA 71 Cb 0.07 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.57 3kvz s ALA 71 CO 0.42 -0.34 0.00 -1.50 0.00 0.00 0.00 175.76 174.34 3kvz s ILE 72 N -0.31 0.17 -0.23 0.00 1.10 -1.26 -1.21 121.20 119.46 3kvz s ILE 72 Ca -0.05 0.11 -0.02 0.00 -0.51 0.00 0.00 60.65 60.17 3kvz s ILE 72 Cb -0.03 -0.28 0.07 0.00 0.15 0.00 0.00 42.46 42.37 3kvz s ILE 72 CO 0.05 0.15 0.05 0.00 -2.11 0.00 0.00 174.94 173.08 3kvz s VAL 74 N 1.81 0.08 0.45 0.00 -7.23 -1.26 -0.27 120.40 113.97 3kvz s VAL 74 Ca 0.02 -0.64 -0.04 0.00 -1.81 0.00 0.00 61.98 59.50 3kvz s VAL 74 Cb -0.17 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 3kvz s VAL 74 CO -0.14 -0.35 0.73 0.42 -0.31 0.00 0.00 175.10 175.45 3kvz s THR 75 N -1.80 4.95 -0.29 5.32 -4.23 -0.50 -4.94 115.64 114.14 3kvz s THR 75 Ca -0.11 0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 3kvz s THR 75 Cb -0.04 -3.86 0.10 0.00 1.34 0.00 0.00 72.50 70.04 3kvz s THR 75 CO 0.01 -0.77 0.12 -2.28 -0.54 0.00 0.00 174.62 171.16 3kvz s HIS 76 N -2.63 0.78 -0.82 3.99 2.46 -1.26 -3.24 115.29 114.59 3kvz s HIS 76 Ca 0.46 -1.15 0.07 0.00 0.47 0.00 0.00 55.06 54.91 3kvz s HIS 76 Cb -0.10 -1.16 0.08 0.00 -0.13 0.00 0.00 32.58 31.26 3kvz s HIS 76 CO 0.42 -0.83 0.79 0.25 -2.47 0.00 0.00 174.74 172.90 3kvz n THR 77 N 5.12 0.16 -3.65 0.89 -2.24 0.86 -4.96 114.28 110.45 3kvz n THR 77 Ca -0.05 -0.58 -0.14 0.00 -2.27 0.00 0.00 64.05 61.01 3kvz n THR 77 Cb 0.42 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.64 -1.50 0.02 6.98 0.00 -1.25 -4.98 121.76 120.40 3kvz s ALA 78 Ca 0.09 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.52 3kvz s ALA 78 Cb 0.06 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 3kvz s ALA 78 CO 0.09 -0.30 0.36 0.00 0.00 0.00 0.00 175.76 175.91 3kvz s ALA 79 N 0.02 3.75 -0.20 0.00 0.00 -1.26 -4.83 121.76 119.23 3kvz s ALA 79 Ca -0.02 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.59 3kvz s ALA 79 Cb -0.04 -2.26 0.04 0.00 0.00 0.00 0.00 23.12 20.86 3kvz s ALA 79 CO 0.02 0.55 -0.15 0.99 0.00 0.00 0.00 175.76 177.17 3kvz s THR 80 N -1.22 1.97 0.41 0.00 2.01 -1.26 -5.02 115.64 112.54 3kvz s THR 80 Ca 0.27 -1.13 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 3kvz s THR 80 Cb -0.15 -1.92 -0.09 0.00 0.01 0.00 0.00 72.50 70.35 3kvz s THR 80 CO 0.14 0.30 0.88 -2.16 -0.69 0.00 0.00 174.62 173.09 3kvz s PRO 81 N 1.27 4.07 0.19 4.92 0.04 -1.26 -1.24 135.00 142.99 3kvz s PRO 81 Ca -0.00 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 3kvz s PRO 81 Cb -0.16 -2.27 -0.17 0.00 0.04 0.00 0.00 34.50 31.95 3kvz s PRO 81 CO -0.10 -0.02 0.74 -2.30 0.04 0.00 0.00 177.00 175.37 3kvz n PRO 82 N -0.79 0.37 0.00 0.56 -0.02 -1.26 -3.06 135.00 130.79 3kvz n PRO 82 Ca 0.05 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3kvz n PRO 82 Cb 0.54 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 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 1.80 2.82 3.86 -1.23 0.00 0.11 -4.98 105.19 107.58 3kvz n GLY 83 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 3.64 -0.36 0.99 1.43 -1.17 -4.71 118.68 118.50 3kvz s LEU 84 Ca 0.00 1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 54.26 3kvz s LEU 84 Cb 0.00 -4.26 -0.00 0.00 0.03 0.00 0.00 46.19 41.96 3kvz s LEU 84 CO 0.00 -0.56 0.40 -0.89 0.23 0.00 0.00 176.35 175.54 3kvz s THR 85 N -2.62 5.12 -0.01 5.49 2.01 -1.26 -0.98 115.64 123.39 3kvz s THR 85 Ca 0.54 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 62.29 3kvz s THR 85 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3kvz s THR 85 CO 0.36 -0.19 0.82 -0.69 -0.69 0.00 0.00 174.62 174.24 3kvz s VAL 86 N 2.11 4.89 -0.22 3.82 1.01 0.00 -3.68 120.40 128.33 3kvz s VAL 86 Ca 0.13 1.73 -0.05 0.00 0.00 0.00 0.00 61.98 63.78 3kvz s VAL 86 Cb -0.16 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 3kvz s VAL 86 CO 0.12 0.25 0.00 -0.89 0.00 0.00 0.00 175.10 174.59 3kvz s THR 87 N 0.65 3.88 -0.21 3.92 2.01 0.16 -0.88 115.64 125.17 3kvz s THR 87 Ca 0.43 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 3kvz s THR 87 Cb -0.20 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 3kvz s THR 87 CO 0.23 0.41 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 3kvz s VAL 88 N 1.25 3.43 -0.14 3.82 1.01 0.58 -1.58 120.40 128.77 3kvz s VAL 88 Ca 0.04 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3kvz s VAL 88 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3kvz s VAL 88 CO 0.01 0.44 0.04 -0.89 0.00 0.00 0.00 175.10 174.70 3kvz s THR 89 N 1.27 4.64 -0.11 3.92 2.01 0.57 -1.55 115.64 126.39 3kvz s THR 89 Ca 0.03 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3kvz s THR 89 Cb -0.14 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.34 3kvz s THR 89 CO -0.02 0.53 -0.18 0.00 -0.69 0.00 0.00 174.62 174.26 3kvz s ALA 90 N -0.22 1.89 -0.09 7.40 0.00 0.09 -0.79 121.76 130.04 3kvz s ALA 90 Ca 0.07 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3kvz s ALA 90 Cb -0.12 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.16 3kvz s ALA 90 CO 0.02 0.00 -0.12 -2.00 0.00 0.00 0.00 175.76 173.66 3kvz s GLU 91 N 0.82 1.79 -0.09 0.00 2.12 0.72 -0.57 118.70 123.49 3kvz s GLU 91 Ca -0.09 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 3kvz s GLU 91 Cb -0.16 -1.60 -0.04 0.00 0.26 0.00 0.00 34.13 32.60 3kvz s GLU 91 CO 0.00 -0.09 1.45 -1.17 -0.54 0.00 0.00 175.26 174.91 3kvz s LEU 92 N 1.08 4.26 -0.10 2.70 2.96 -0.58 0.22 118.68 129.21 3kvz s LEU 92 Ca -0.06 1.99 0.05 0.00 -0.22 0.00 0.00 54.13 55.88 3kvz s LEU 92 Cb -0.15 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 3kvz s LEU 92 CO -0.02 -0.82 0.43 0.54 -1.32 0.00 0.00 176.35 175.17 3kvz n ARG 93 N 6.58 0.69 -3.56 1.98 1.74 -0.13 -0.24 116.66 123.71 3kvz n ARG 93 Ca 0.15 0.25 -0.06 0.00 -0.77 0.00 0.00 57.85 57.42 3kvz n ARG 93 Cb 0.44 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 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 -6.45 -0.22 -0.08 0.55 1.04 -1.19 -4.81 113.70 102.53 3kvz s SER 94 Ca -0.14 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.29 3kvz s SER 94 Cb 0.07 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.45 3kvz s SER 94 CO 0.79 -0.37 -0.00 -0.69 0.98 0.00 0.00 173.24 173.95 3kvz s VAL 95 N -2.57 0.42 -0.29 5.02 1.01 -1.26 -1.75 120.40 120.98 3kvz s VAL 95 Ca 0.07 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3kvz s VAL 95 Cb -0.01 -0.59 0.08 0.00 0.00 0.00 0.00 36.38 35.86 3kvz s VAL 95 CO -0.06 0.24 -0.01 -1.61 0.00 0.00 0.00 175.10 173.65 3kvz s GLU 96 N 1.95 1.67 3.96 2.72 8.01 -0.28 -5.00 118.70 131.73 3kvz s GLU 96 Ca 0.05 -1.47 0.00 0.00 0.01 0.00 0.00 54.97 53.56 3kvz s GLU 96 Cb -0.13 -2.88 0.00 0.00 -4.31 0.00 0.00 34.13 26.82 3kvz s GLU 96 CO -0.06 -0.77 0.00 0.41 0.01 0.00 0.00 175.26 174.86 3kvz n GLY 97 N 4.44 3.02 0.53 -1.39 0.00 -1.26 -1.22 105.19 109.31 3kvz n GLY 97 Ca -0.05 0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 11.84 1.70 -4.48 1.61 1.74 -1.26 -4.87 116.66 122.94 3kvz n ARG 98 Ca 0.00 -1.05 -0.34 0.00 -0.77 0.00 0.00 57.85 55.70 3kvz n ARG 98 Cb 0.00 -1.41 -0.12 0.00 -1.02 0.00 0.00 32.46 29.91 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 -1.83 3.54 -0.06 5.56 1.81 -0.36 0.11 118.95 127.73 3kvz s ARG 99 Ca 0.33 -0.55 0.06 0.00 -1.72 0.00 0.00 55.73 53.85 3kvz s ARG 99 Cb 0.18 -2.84 -0.01 0.00 -0.45 0.00 0.00 34.95 31.83 3kvz s ARG 99 CO 0.27 0.28 -0.24 -0.51 -0.68 0.00 0.00 175.30 174.42 3kvz s LEU 100 N 0.24 2.06 0.10 2.53 1.02 -0.46 -1.12 118.68 123.04 3kvz s LEU 100 Ca -0.04 -0.50 0.08 0.00 0.02 0.00 0.00 54.13 53.69 3kvz s LEU 100 Cb -0.14 -1.34 -0.04 0.00 0.02 0.00 0.00 46.19 44.69 3kvz s LEU 100 CO 0.03 0.24 -0.16 -0.44 0.02 0.00 0.00 176.35 176.04 3kvz s SER 101 N -0.15 3.99 0.02 2.29 0.01 -0.72 -0.65 113.70 118.49 3kvz s SER 101 Ca -0.04 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.76 3kvz s SER 101 Cb -0.14 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 3kvz s SER 101 CO 0.04 0.20 -0.08 0.26 0.41 0.00 0.00 173.24 174.07 3kvz s TRP 102 N -1.11 0.67 -0.04 2.43 0.52 -0.35 -0.96 118.94 120.11 3kvz s TRP 102 Ca 0.18 -0.31 -0.16 0.00 0.02 0.00 0.00 56.10 55.82 3kvz s TRP 102 Cb -0.11 -0.41 -0.05 0.00 -1.15 0.00 0.00 33.47 31.75 3kvz s TRP 102 CO 0.10 -0.04 0.43 0.50 0.02 0.00 0.00 176.95 177.96 3kvz s ARG 103 N -0.93 4.09 -0.00 4.98 3.52 0.13 -2.30 118.95 128.45 3kvz s ARG 103 Ca -0.03 0.43 0.05 0.00 -0.13 0.00 0.00 55.73 56.04 3kvz s ARG 103 Cb -0.06 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 3kvz s ARG 103 CO 0.00 0.50 -0.16 0.14 -0.81 0.00 0.00 175.30 174.97 3kvz s VAL 104 N -0.46 1.28 0.02 7.11 -7.23 -0.63 -0.20 120.40 120.28 3kvz s VAL 104 Ca 0.24 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.60 3kvz s VAL 104 Cb -0.16 -1.08 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 3kvz s VAL 104 CO 0.12 0.30 0.08 -0.44 -0.31 0.00 0.00 175.10 174.85 3kvz s SER 105 N -0.54 0.14 -0.00 4.85 0.01 0.03 -1.70 113.70 116.48 3kvz s SER 105 Ca 0.06 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 3kvz s SER 105 Cb -0.07 0.19 -0.00 0.00 0.21 0.00 0.00 66.02 66.36 3kvz s SER 105 CO -0.00 -0.42 0.03 0.00 0.41 0.00 0.00 173.24 173.26 3kvz s ALA 106 N -1.99 -0.06 0.04 1.44 0.00 0.08 -0.32 121.76 120.95 3kvz s ALA 106 Ca -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 3kvz s ALA 106 Cb -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3kvz s ALA 106 CO -0.02 -0.07 -0.02 -3.38 0.00 0.00 0.00 175.76 172.28 3kvz s HIS 107 N -0.46 0.39 -0.28 0.00 -3.43 -0.62 -1.09 115.29 109.80 3kvz s HIS 107 Ca -0.05 -0.82 0.12 0.00 -0.80 0.00 0.00 55.06 53.50 3kvz s HIS 107 Cb -0.03 -0.29 0.67 0.00 -1.43 0.00 0.00 32.58 31.49 3kvz s HIS 107 CO -0.00 -0.31 1.67 -0.40 -2.00 0.00 0.00 174.74 173.70 3kvz n ASP 108 N 0.71 4.33 0.00 7.38 5.68 0.79 -0.67 116.55 134.77 3kvz n ASP 108 Ca -0.18 -3.24 0.00 0.00 -0.50 0.00 0.00 54.79 50.86 3kvz n ASP 108 Cb 0.59 -0.68 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 -0.35 2.80 0.13 6.12 0.00 -1.24 -4.09 105.19 108.56 3kvz n GLY 109 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.85 0.51 -4.22 1.61 0.31 -1.26 -5.05 118.33 109.37 3kvz n VAL 110 Ca 0.00 -0.18 -0.19 0.00 -0.01 0.00 0.00 64.34 63.96 3kvz n VAL 110 Cb 0.00 -0.92 -0.12 0.00 -0.91 0.00 0.00 33.84 31.89 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 -4.99 1.92 0.09 4.52 1.01 -1.26 -5.11 116.67 112.85 3kvz s ASP 111 Ca -0.12 -0.73 -0.31 0.00 0.71 0.00 0.00 52.55 52.10 3kvz s ASP 111 Cb 0.03 -0.07 -0.08 0.00 1.01 0.00 0.00 42.92 43.82 3kvz s ASP 111 CO 0.20 -0.10 1.46 -0.70 0.21 0.00 0.00 175.17 176.24 3kvz s GLU 112 N -2.27 4.28 -0.01 8.23 2.56 -1.26 -0.15 118.70 130.08 3kvz s GLU 112 Ca 0.05 2.14 0.12 0.00 0.00 0.00 0.00 54.97 57.28 3kvz s GLU 112 Cb -0.07 -3.36 -0.16 0.00 2.00 0.00 0.00 34.13 32.53 3kvz s GLU 112 CO 0.03 -0.54 0.41 0.44 -0.56 0.00 0.00 175.26 175.04 3kvz n ILE 113 N 4.24 0.00 0.00 -3.70 -5.35 -0.25 -4.36 119.36 109.94 3kvz n ILE 113 Ca 0.13 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3kvz n ILE 113 Cb 0.42 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 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 1.51 1.98 3.73 3.28 0.00 -1.18 -0.10 105.19 114.42 3kvz n GLY 114 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.23 0.00 1.61 1.04 -1.20 -0.74 113.70 114.18 3kvz s SER 115 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3kvz s SER 115 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3kvz s SER 115 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 3kvz n GLY 116 N -0.44 -0.21 3.14 7.32 0.00 -0.69 -1.41 105.19 112.90 3kvz n GLY 116 Ca -0.06 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 0.62 -0.09 2.61 -4.23 0.62 -1.61 115.64 109.57 3kvz s THR 117 Ca 0.00 -1.73 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 3kvz s THR 117 Cb 0.00 -1.42 0.03 0.00 1.34 0.00 0.00 72.50 72.45 3kvz s THR 117 CO 0.00 -0.77 0.22 -2.28 -0.54 0.00 0.00 174.62 171.26 3kvz s HIS 118 N -3.12 -0.26 -0.06 3.99 5.04 -0.97 -0.76 115.29 119.15 3kvz s HIS 118 Ca 0.06 0.63 0.06 0.00 -1.54 0.00 0.00 55.06 54.27 3kvz s HIS 118 Cb 0.02 0.07 -0.01 0.00 0.04 0.00 0.00 32.58 32.69 3kvz s HIS 118 CO -0.04 -0.14 -0.23 -1.21 -2.34 0.00 0.00 174.74 170.78 3kvz s GLU 119 N 0.40 2.53 0.22 2.88 8.01 -0.35 -1.21 118.70 131.17 3kvz s GLU 119 Ca -0.02 -0.87 0.11 0.00 0.01 0.00 0.00 54.97 54.20 3kvz s GLU 119 Cb -0.04 -2.20 -0.05 0.00 -4.31 0.00 0.00 34.13 27.54 3kvz s GLU 119 CO -0.02 0.43 -0.22 1.03 0.01 0.00 0.00 175.26 176.49 3kvz s ARG 120 N -0.27 1.54 -0.16 1.61 0.52 0.17 0.29 118.95 122.66 3kvz s ARG 120 Ca -0.00 -1.59 0.02 0.00 -0.52 0.00 0.00 55.73 53.64 3kvz s ARG 120 Cb -0.13 -1.77 0.02 0.00 0.52 0.00 0.00 34.95 33.58 3kvz s ARG 120 CO 0.03 0.37 -0.21 0.00 0.02 0.00 0.00 175.30 175.51 3kvz s ALA 121 N -1.96 2.27 0.18 2.13 0.00 0.80 -1.35 121.76 123.83 3kvz s ALA 121 Ca 0.23 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 3kvz s ALA 121 Cb -0.07 -1.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.87 3kvz s ALA 121 CO 0.11 -0.20 1.46 0.08 0.00 0.00 0.00 175.76 177.21 3kvz s VAL 122 N 1.07 2.84 -0.02 0.00 1.01 0.12 -1.29 120.40 124.13 3kvz s VAL 122 Ca -0.01 0.64 0.05 0.00 0.00 0.00 0.00 61.98 62.66 3kvz s VAL 122 Cb -0.14 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3kvz s VAL 122 CO -0.08 0.07 -0.16 0.27 0.00 0.00 0.00 175.10 175.21 3kvz s ILE 123 N 0.66 1.25 0.00 2.22 -4.36 0.11 -4.93 121.20 116.14 3kvz s ILE 123 Ca 0.64 -0.66 0.00 0.00 -0.26 0.00 0.00 60.65 60.37 3kvz s ILE 123 Cb -0.41 -1.04 0.00 0.00 1.25 0.00 0.00 42.46 42.26 3kvz s ILE 123 CO 0.36 0.35 0.69 0.00 0.24 0.00 0.00 174.94 176.59 3kvz n HIS 124 N 2.79 0.00 -0.11 1.37 -0.00 -1.26 -0.14 115.22 117.86 3kvz n HIS 124 Ca -0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.52 3kvz n HIS 124 Cb 0.54 -0.37 0.01 0.00 -0.00 0.00 0.00 29.99 30.18 3kvz n HIS 124 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3kvz h LEU 125 N 6.55 -0.52 -0.10 2.39 3.38 -1.56 0.40 115.31 125.86 3kvz h LEU 125 Ca 0.00 0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 3kvz h LEU 125 Cb 0.69 0.30 0.01 0.00 0.09 0.00 0.00 40.66 41.76 3kvz h LEU 125 CO 0.69 -0.18 -0.60 -0.33 0.09 0.00 0.00 178.44 178.11 3kvz h GLU 126 N -0.07 0.58 -0.27 1.13 5.08 -1.93 -1.39 114.58 117.70 3kvz h GLU 126 Ca 0.19 -0.49 0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3kvz h GLU 126 Cb 0.36 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 3kvz h GLU 126 CO -0.44 1.12 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.30 3kvz h LYS 127 N 0.20 -0.14 -0.09 2.33 3.64 -1.86 -1.90 116.57 118.75 3kvz h LYS 127 Ca -0.05 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3kvz h LYS 127 Cb 1.25 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 3kvz h LYS 127 CO 0.12 -0.09 -0.13 0.35 -2.27 0.00 0.00 179.45 177.43 3kvz h PHE 128 N -0.14 -0.33 -0.91 1.91 3.57 -0.15 -2.04 116.94 118.86 3kvz h PHE 128 Ca 0.15 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.78 3kvz h PHE 128 Cb 0.36 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.20 3kvz h PHE 128 CO -0.35 -0.19 0.58 -0.91 -2.23 0.00 0.00 178.31 175.21 3kvz h ASN 129 N -0.18 0.78 -0.39 0.41 2.35 -1.16 -0.54 115.58 116.85 3kvz h ASN 129 Ca 0.08 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3kvz h ASN 129 Cb 0.28 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3kvz h ASN 129 CO -0.19 0.43 0.20 0.00 -1.65 0.00 0.00 177.43 176.22 3kvz h ALA 130 N 1.57 1.54 -0.16 -0.83 0.00 -0.89 0.03 119.26 120.52 3kvz h ALA 130 Ca 0.44 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 3kvz h ALA 130 Cb 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kvz h ALA 130 CO -0.20 0.37 -0.67 0.87 0.00 0.00 0.00 179.25 179.62 3kvz h LYS 131 N 0.60 0.62 -0.31 0.00 1.79 -0.46 -3.02 116.57 115.78 3kvz h LYS 131 Ca 0.15 -0.46 -0.08 0.00 -2.18 0.00 0.00 60.65 58.08 3kvz h LYS 131 Cb 0.08 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 3kvz h LYS 131 CO -0.02 1.08 -0.16 0.28 -1.08 0.00 0.00 179.45 179.55 3kvz h VAL 132 N 0.45 1.25 0.00 0.50 2.07 -0.77 -2.30 116.25 117.45 3kvz h VAL 132 Ca -0.02 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 3kvz h VAL 132 Cb 1.26 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3kvz h VAL 132 CO 0.13 0.37 -0.07 0.03 0.02 0.00 0.00 177.57 178.05 3kvz h ARG 133 N 0.51 0.00 0.00 1.57 -0.00 -0.88 -2.32 114.38 113.26 3kvz h ARG 133 Ca 0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.55 3kvz h ARG 133 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.54 3kvz h ARG 133 CO 0.04 0.07 -0.09 1.96 0.00 0.00 0.00 179.97 181.94 3kvz h GLN 134 N 0.00 0.00 -0.09 0.04 4.20 -1.29 -3.21 115.11 114.76 3kvz h GLN 134 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kvz h GLN 134 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3kvz h GLN 134 CO 0.01 0.09 0.00 0.36 -0.67 0.00 0.00 178.83 178.62 3kvz n LYS 135 N -3.29 2.45 -2.97 1.46 2.85 -0.88 -5.00 118.16 112.78 3kvz n LYS 135 Ca -0.00 -2.09 -0.40 0.00 -1.05 0.00 0.00 58.31 54.76 3kvz n LYS 135 Cb 0.31 -1.31 -0.04 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.81 4.94 -0.21 0.58 2.01 -1.18 -5.13 115.64 114.84 3kvz s THR 136 Ca 0.19 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.79 3kvz s THR 136 Cb 0.15 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.55 3kvz s THR 136 CO 0.05 0.26 0.05 -2.65 -0.69 0.00 0.00 174.62 171.64