#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcz n GLY 2 N 0.00 0.77 3.98 -5.12 0.00 -1.26 -5.04 105.19 98.53 2kcz n GLY 2 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2kcz n GLY 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kcz s GLU 3 N -0.43 2.28 -0.12 1.61 1.03 -1.26 -4.35 118.70 117.46 2kcz s GLU 3 Ca 0.00 -1.80 -0.04 0.00 0.03 0.00 0.00 54.97 53.16 2kcz s GLU 3 Cb 0.00 -2.42 0.06 0.00 -0.80 0.00 0.00 34.13 30.97 2kcz s GLU 3 CO 0.00 -0.76 0.24 0.99 -1.33 0.00 0.00 175.26 174.40 2kcz s THR 4 N -2.71 -0.36 -0.66 1.83 2.01 0.13 -4.85 115.64 111.02 2kcz s THR 4 Ca 0.50 0.29 -0.20 0.00 0.31 0.00 0.00 61.69 62.60 2kcz s THR 4 Cb -0.04 -0.40 0.10 0.00 0.01 0.00 0.00 72.50 72.16 2kcz s THR 4 CO 0.32 0.12 0.83 -0.69 -0.69 0.00 0.00 174.62 174.51 2kcz s VAL 5 N 2.34 4.68 0.06 3.82 1.01 -1.26 -2.90 120.40 128.14 2kcz s VAL 5 Ca 0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 2kcz s VAL 5 Cb -0.12 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 2kcz s VAL 5 CO -0.08 -1.27 0.34 0.68 0.00 0.00 0.00 175.10 174.78 2kcz s VAL 6 N 3.03 5.19 -0.19 2.92 -7.23 -1.22 -5.04 120.40 117.86 2kcz s VAL 6 Ca 0.17 0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 60.58 2kcz s VAL 6 Cb -0.19 -3.61 0.07 0.00 0.56 0.00 0.00 36.38 33.21 2kcz s VAL 6 CO 0.05 0.29 0.14 0.00 -0.31 0.00 0.00 175.10 175.27 2kcz s ARG 7 N -1.94 0.11 0.09 4.82 1.04 -1.26 -3.73 118.95 118.08 2kcz s ARG 7 Ca 0.32 -0.04 -0.03 0.00 -1.04 0.00 0.00 55.73 54.94 2kcz s ARG 7 Cb -0.13 -1.57 -0.03 0.00 -2.04 0.00 0.00 34.95 31.17 2kcz s ARG 7 CO 0.18 -0.70 0.06 0.34 -0.04 0.00 0.00 175.30 175.14 2kcz s ASP 8 N 2.19 0.33 -0.02 -2.89 2.15 -1.26 -5.04 116.67 112.14 2kcz s ASP 8 Ca 0.04 -0.97 -0.00 0.00 0.43 0.00 0.00 52.55 52.05 2kcz s ASP 8 Cb -0.16 0.27 0.03 0.00 -0.30 0.00 0.00 42.92 42.77 2kcz s ASP 8 CO -0.13 -0.69 0.04 0.00 -0.17 0.00 0.00 175.17 174.23 2kcz s ALA 9 N -3.95 0.04 0.04 3.66 0.00 -1.26 -2.89 121.76 117.40 2kcz s ALA 9 Ca 0.12 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.48 2kcz s ALA 9 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2kcz s ALA 9 CO -0.06 -0.11 -0.12 0.14 0.00 0.00 0.00 175.76 175.61 2kcz s VAL 10 N 1.07 3.27 -0.36 0.00 -7.23 -0.77 -4.90 120.40 111.48 2kcz s VAL 10 Ca -0.09 -1.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.96 2kcz s VAL 10 Cb -0.13 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.42 2kcz s VAL 10 CO -0.03 0.31 0.16 -0.89 -0.31 0.00 0.00 175.10 174.34 2kcz s THR 11 N -1.02 4.16 0.05 5.32 2.01 -1.25 -0.81 115.64 124.09 2kcz s THR 11 Ca 0.17 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 2kcz s THR 11 Cb -0.11 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2kcz s THR 11 CO 0.08 -0.23 0.24 -0.63 -0.69 0.00 0.00 174.62 173.39 2kcz s ILE 12 N 1.47 5.35 -1.31 1.82 1.09 -0.16 -4.81 121.20 124.65 2kcz s ILE 12 Ca 0.00 -0.16 -0.09 0.00 -1.10 0.00 0.00 60.65 59.30 2kcz s ILE 12 Cb -0.20 -3.59 -0.12 0.00 -1.06 0.00 0.00 42.46 37.49 2kcz s ILE 12 CO 0.04 0.21 3.02 0.61 -0.10 0.00 0.00 174.94 178.73 2kcz n GLY 13 N 0.58 3.96 3.38 6.18 0.00 -1.26 -0.58 105.19 117.44 2kcz n GLY 13 Ca -0.07 -1.41 -0.19 0.00 0.00 0.00 0.00 46.02 44.35 2kcz n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcz s LYS 14 N 2.05 1.46 0.02 1.61 -0.14 -1.26 -4.99 119.74 118.49 2kcz s LYS 14 Ca 0.67 -1.76 -0.28 0.00 -1.36 0.00 0.00 55.97 53.25 2kcz s LYS 14 Cb 0.20 -0.73 -0.16 0.00 -1.68 0.00 0.00 37.83 35.46 2kcz s LYS 14 CO -0.05 -0.12 1.21 -1.00 -0.76 0.00 0.00 175.35 174.64 2kcz h PRO 15 N 2.34 -0.82 0.00 -1.68 0.13 -1.94 -3.19 132.00 126.85 2kcz h PRO 15 Ca -0.39 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kcz h PRO 15 Cb 1.23 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2kcz h PRO 15 CO 0.66 -0.50 0.00 0.00 -0.23 0.00 0.00 178.00 177.93 2kcz n ALA 16 N -2.63 0.00 0.01 -0.56 0.00 -1.26 -4.52 120.51 111.55 2kcz n ALA 16 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 2kcz n ALA 16 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 2kcz n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kcz h GLU 17 N 0.00 -0.18 -0.42 0.00 4.81 -1.94 -1.48 114.58 115.37 2kcz h GLU 17 Ca 0.00 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 2kcz h GLU 17 Cb 0.00 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2kcz h GLU 17 CO 0.00 -0.12 0.39 1.96 -0.73 0.00 0.00 179.01 180.51 2kcz h GLN 18 N -0.19 0.00 0.00 1.92 4.20 -1.99 -1.16 115.11 117.89 2kcz h GLN 18 Ca 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2kcz h GLN 18 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2kcz h GLN 18 CO -0.22 0.00 -0.02 -0.07 -0.67 0.00 0.00 178.83 177.85 2kcz h LEU 19 N 0.00 0.00 -0.99 1.46 3.38 -1.69 -1.18 115.31 116.30 2kcz h LEU 19 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2kcz h LEU 19 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2kcz h LEU 19 CO -0.00 0.02 -0.32 0.22 0.09 0.00 0.00 178.44 178.45 2kcz h TYR 20 N 0.00 0.00 0.00 1.13 3.20 -1.31 -3.06 116.97 116.93 2kcz h TYR 20 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kcz h TYR 20 Cb 0.48 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2kcz h TYR 20 CO 0.00 0.32 0.00 0.00 -1.64 0.00 0.00 178.16 176.84 2kcz n ALA 21 N -2.27 1.96 0.19 1.82 0.00 -0.44 -3.69 120.51 118.07 2kcz n ALA 21 Ca -0.00 -0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2kcz n ALA 21 Cb 0.48 -1.40 0.79 0.00 0.00 0.00 0.00 19.45 19.33 2kcz n ALA 21 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2kcz h VAL 22 N 0.00 0.28 -0.10 0.00 3.04 -1.62 -1.90 116.25 115.96 2kcz h VAL 22 Ca 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.72 2kcz h VAL 22 Cb 0.47 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2kcz h VAL 22 CO 0.00 0.00 0.14 -0.50 -1.01 0.00 0.00 177.57 176.20 2kcz h TRP 23 N 0.00 0.00 -0.35 3.17 4.06 -1.84 -3.18 115.95 117.81 2kcz h TRP 23 Ca 0.12 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.78 2kcz h TRP 23 Cb 0.83 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 28.79 2kcz h TRP 23 CO 0.00 0.00 -0.57 -2.13 -3.56 0.00 0.00 178.44 172.18 2kcz n ARG 24 N -3.64 1.02 -1.09 0.49 3.00 -0.72 -5.14 116.66 110.58 2kcz n ARG 24 Ca -0.00 -2.19 0.14 0.00 -0.00 0.00 0.00 57.85 55.80 2kcz n ARG 24 Cb 0.24 -1.09 -0.05 0.00 0.00 0.00 0.00 32.46 31.55 2kcz n ARG 24 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kcz n ASP 25 N 0.28 -6.49 -4.29 6.15 2.03 -1.19 -4.65 116.55 108.39 2kcz n ASP 25 Ca 0.09 0.82 -0.45 0.00 0.52 0.00 0.00 54.79 55.77 2kcz n ASP 25 Cb 0.70 -3.56 -0.03 0.00 -0.72 0.00 0.00 41.12 37.51 2kcz n ASP 25 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kcz s LEU 26 N -6.67 6.42 -0.23 -2.67 1.43 -1.26 -4.31 118.68 111.38 2kcz s LEU 26 Ca 0.00 -2.94 -0.26 0.00 -1.03 0.00 0.00 54.13 49.91 2kcz s LEU 26 Cb 0.00 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 2kcz s LEU 26 CO 0.00 -0.47 0.88 -2.16 0.23 0.00 0.00 176.35 174.83 2kcz s PRO 27 N -0.21 4.22 -1.29 1.29 0.05 -1.26 -4.97 135.00 132.82 2kcz s PRO 27 Ca 0.21 1.05 -0.18 0.00 0.05 0.00 0.00 61.00 62.12 2kcz s PRO 27 Cb -0.11 -3.63 0.05 0.00 0.05 0.00 0.00 34.50 30.86 2kcz s PRO 27 CO -0.08 -0.51 1.79 0.41 0.05 0.00 0.00 177.00 178.66 2kcz n GLY 28 N 3.61 2.54 2.57 0.56 0.00 -1.26 -4.67 105.19 108.53 2kcz n GLY 28 Ca 0.07 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 2kcz n GLY 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kcz n LEU 29 N 8.87 2.23 -0.18 0.99 -0.00 -1.26 -4.86 117.00 122.80 2kcz n LEU 29 Ca 0.49 -4.35 0.14 0.00 -0.00 0.00 0.00 56.01 52.28 2kcz n LEU 29 Cb 0.46 0.22 0.57 0.00 -0.00 0.00 0.00 43.42 44.67 2kcz n LEU 29 CO 0.77 1.87 0.84 -0.81 -0.00 0.00 0.00 177.39 180.06 2kcz n PRO 30 N -0.11 0.86 0.14 1.47 -0.05 -1.26 -3.36 135.00 132.68 2kcz n PRO 30 Ca 0.19 -0.36 -0.00 0.00 -0.05 0.00 0.00 63.50 63.28 2kcz n PRO 30 Cb 0.74 -1.49 0.25 0.00 -0.05 0.00 0.00 33.50 32.95 2kcz n PRO 30 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 2kcz h LEU 31 N 0.88 0.08 -2.61 1.53 -0.00 -1.96 -3.47 115.31 109.76 2kcz h LEU 31 Ca 0.00 -0.04 -0.26 0.00 -0.00 0.00 0.00 57.88 57.58 2kcz h LEU 31 Cb 0.38 -0.02 0.15 0.00 -0.00 0.00 0.00 40.66 41.17 2kcz h LEU 31 CO 0.00 0.54 -0.79 0.18 -0.00 0.00 0.00 178.44 178.37 2kcz n LEU 32 N -3.98 -5.18 -0.04 1.67 4.77 -1.22 -4.98 117.00 108.05 2kcz n LEU 32 Ca -0.02 -0.71 -0.03 0.00 -0.03 0.00 0.00 56.01 55.23 2kcz n LEU 32 Cb 0.50 -3.05 -0.01 0.00 -2.33 0.00 0.00 43.42 38.53 2kcz n LEU 32 CO 0.41 0.05 -0.22 0.80 -1.33 0.00 0.00 177.39 177.09 2kcz n MET 33 N -3.25 0.23 0.00 3.23 1.56 -1.26 -5.08 117.12 112.55 2kcz n MET 33 Ca -0.07 0.30 0.00 0.00 -0.27 0.00 0.00 57.70 57.66 2kcz n MET 33 Cb 0.60 -1.13 0.00 0.00 2.15 0.00 0.00 33.22 34.84 2kcz n MET 33 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 2kcz n THR 34 N -3.43 0.00 0.00 1.12 5.66 -1.26 -5.03 114.28 111.34 2kcz n THR 34 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2kcz n THR 34 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 2kcz n THR 34 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2kcz n HIS 35 N 0.00 0.00 -0.91 1.09 -0.00 -1.26 -4.87 115.22 109.28 2kcz n HIS 35 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 2kcz n HIS 35 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 2kcz n HIS 35 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2kcz n LEU 36 N 0.00 -0.83 0.00 0.27 7.94 -1.26 -5.08 117.00 118.04 2kcz n LEU 36 Ca 0.00 1.60 0.00 0.00 -1.11 0.00 0.00 56.01 56.50 2kcz n LEU 36 Cb 0.00 -1.64 0.00 0.00 0.53 0.00 0.00 43.42 42.31 2kcz n LEU 36 CO 0.00 -0.86 0.00 -1.14 -1.11 0.00 0.00 177.39 174.28 2kcz n ARG 37 N -2.74 0.00 -0.86 1.96 3.00 -1.26 -4.91 116.66 111.84 2kcz n ARG 37 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.77 2kcz n ARG 37 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.76 2kcz n ARG 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2kcz n SER 38 N 0.00 -0.73 -4.71 6.15 2.88 -1.26 -5.13 113.62 110.82 2kcz n SER 38 Ca 0.00 -1.71 -0.42 0.00 -1.33 0.00 0.00 58.87 55.41 2kcz n SER 38 Cb 0.00 0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.65 2kcz n SER 38 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kcz s VAL 39 N 0.00 4.14 -0.74 2.46 1.01 -1.26 -4.92 120.40 121.08 2kcz s VAL 39 Ca 0.00 1.55 0.11 0.00 0.00 0.00 0.00 61.98 63.64 2kcz s VAL 39 Cb 0.00 -3.99 0.55 0.00 0.00 0.00 0.00 36.38 32.94 2kcz s VAL 39 CO 0.00 0.13 1.38 -0.62 0.00 0.00 0.00 175.10 175.98 2kcz n GLU 40 N 3.83 3.47 -3.82 2.72 1.02 -1.26 -4.17 120.64 122.43 2kcz n GLU 40 Ca 0.08 -2.15 -0.12 0.00 -0.02 0.00 0.00 57.16 54.95 2kcz n GLU 40 Cb 0.47 -1.93 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 2kcz n GLU 40 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2kcz s VAL 41 N -2.07 0.06 0.03 2.62 0.11 -1.26 -0.45 120.40 119.44 2kcz s VAL 41 Ca 0.38 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2kcz s VAL 41 Cb 0.27 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 2kcz s VAL 41 CO 0.13 -0.27 0.00 -0.11 -3.33 0.00 0.00 175.10 171.53 2kcz n LEU 42 N 1.69 -0.27 -4.95 2.54 7.94 -1.26 -4.35 117.00 118.35 2kcz n LEU 42 Ca -0.20 0.29 -0.26 0.00 -1.11 0.00 0.00 56.01 54.73 2kcz n LEU 42 Cb 0.56 0.51 0.11 0.00 0.53 0.00 0.00 43.42 45.14 2kcz n LEU 42 CO 0.21 -0.01 0.66 -0.62 -1.11 0.00 0.00 177.39 176.53 2kcz s ASP 43 N -2.00 4.19 0.45 1.96 2.15 -0.65 -4.87 116.67 117.89 2kcz s ASP 43 Ca 0.00 0.13 0.24 0.00 0.43 0.00 0.00 52.55 53.35 2kcz s ASP 43 Cb 0.00 -0.52 0.99 0.00 -0.30 0.00 0.00 42.92 43.09 2kcz s ASP 43 CO 0.00 -2.00 1.86 0.44 -0.17 0.00 0.00 175.17 175.31 2kcz h ASP 44 N -0.86 0.00 -0.72 -0.34 5.19 -1.95 -1.66 116.42 116.07 2kcz h ASP 44 Ca -0.42 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.81 2kcz h ASP 44 Cb 1.28 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.68 2kcz h ASP 44 CO 0.47 0.23 0.23 1.17 -3.12 0.00 0.00 179.24 178.23 2kcz n LYS 45 N -3.48 3.95 0.00 3.56 3.00 -1.26 -5.00 118.16 118.93 2kcz n LYS 45 Ca -0.00 -3.12 0.00 0.00 -0.00 0.00 0.00 58.31 55.19 2kcz n LYS 45 Cb 0.40 -2.24 0.00 0.00 0.00 0.00 0.00 35.03 33.19 2kcz n LYS 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kcz n ARG 46 N -0.02 0.00 -3.69 1.64 1.74 -0.63 -4.62 116.66 111.09 2kcz n ARG 46 Ca 0.39 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.26 2kcz n ARG 46 Cb 1.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.81 2kcz n ARG 46 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kcz n SER 47 N -3.01 -5.29 -0.19 0.55 7.64 0.40 -4.26 113.62 109.46 2kcz n SER 47 Ca 0.00 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2kcz n SER 47 Cb 0.00 -2.25 0.00 0.00 -1.01 0.00 0.00 64.21 60.95 2kcz n SER 47 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kcz n ARG 48 N -2.56 0.00 -2.70 1.43 3.00 -1.26 -3.75 116.66 110.83 2kcz n ARG 48 Ca -0.27 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.14 2kcz n ARG 48 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.12 2kcz n ARG 48 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 2kcz s TRP 49 N 0.00 2.98 -1.26 -1.55 1.48 -1.26 -1.63 118.94 117.69 2kcz s TRP 49 Ca 0.00 -1.69 -0.14 0.00 -1.06 0.00 0.00 56.10 53.21 2kcz s TRP 49 Cb 0.00 -4.61 0.13 0.00 -1.16 0.00 0.00 33.47 27.84 2kcz s TRP 49 CO 0.00 -1.69 1.64 -2.37 -4.06 0.00 0.00 176.95 170.47 2kcz n THR 50 N 5.90 4.13 -1.71 0.66 5.66 -1.25 -4.64 114.28 123.03 2kcz n THR 50 Ca 0.43 -4.39 0.03 0.00 -3.05 0.00 0.00 64.05 57.07 2kcz n THR 50 Cb 0.46 -2.43 0.18 0.00 -1.55 0.00 0.00 70.33 66.98 2kcz n THR 50 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2kcz n VAL 51 N 4.93 2.08 -3.64 1.08 0.24 -1.26 -4.91 118.33 116.84 2kcz n VAL 51 Ca 0.42 -3.19 -0.20 0.00 -2.04 0.00 0.00 64.34 59.33 2kcz n VAL 51 Cb 0.42 -0.23 -0.17 0.00 -1.47 0.00 0.00 33.84 32.40 2kcz n VAL 51 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kcz s GLU 52 N -3.06 0.01 0.14 7.34 2.12 -1.26 -5.11 118.70 118.89 2kcz s GLU 52 Ca 0.39 0.32 0.00 0.00 0.36 0.00 0.00 54.97 56.04 2kcz s GLU 52 Cb 0.37 -0.79 0.00 0.00 0.26 0.00 0.00 34.13 33.97 2kcz s GLU 52 CO -0.07 -0.43 0.00 0.00 -0.54 0.00 0.00 175.26 174.23 2kcz n ALA 53 N 5.31 -1.21 -1.17 6.30 0.00 -1.26 -5.02 120.51 123.45 2kcz n ALA 53 Ca -0.05 0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 2kcz n ALA 53 Cb 0.50 -0.74 0.07 0.00 0.00 0.00 0.00 19.45 19.27 2kcz n ALA 53 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kcz n PRO 54 N -1.41 -0.88 -3.22 0.00 -0.02 -1.26 -4.70 135.00 123.52 2kcz n PRO 54 Ca 0.00 -0.57 -0.07 0.00 -2.02 0.00 0.00 63.50 60.84 2kcz n PRO 54 Cb 0.07 -0.44 0.01 0.00 -0.02 0.00 0.00 33.50 33.12 2kcz n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcz n ALA 55 N -3.37 -2.55 0.66 3.55 0.00 -1.26 -4.86 120.51 112.69 2kcz n ALA 55 Ca -0.06 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.40 2kcz n ALA 55 Cb 0.17 -1.89 0.35 0.00 0.00 0.00 0.00 19.45 18.08 2kcz n ALA 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kcz n PRO 56 N -2.15 0.22 -0.18 0.00 -0.04 -1.26 -2.37 135.00 129.22 2kcz n PRO 56 Ca -0.06 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2kcz n PRO 56 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2kcz n PRO 56 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2kcz n LEU 57 N -1.25 0.00 0.19 1.53 -0.00 -1.26 -4.78 117.00 111.43 2kcz n LEU 57 Ca 0.07 -0.45 0.14 0.00 -0.00 0.00 0.00 56.01 55.77 2kcz n LEU 57 Cb 0.10 0.00 0.74 0.00 -0.00 0.00 0.00 43.42 44.26 2kcz n LEU 57 CO 0.10 0.25 1.12 1.23 -0.00 0.00 0.00 177.39 180.09 2kcz h GLY 58 N 0.00 0.00 -1.61 1.47 0.00 -1.82 -2.99 103.07 98.12 2kcz h GLY 58 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2kcz h GLY 58 CO 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 175.94 2kcz n ALA 59 N -2.48 2.18 -3.25 3.60 0.00 -1.26 -5.10 120.51 114.19 2kcz n ALA 59 Ca 0.01 -1.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.04 2kcz n ALA 59 Cb 0.26 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 2kcz n ALA 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcz s VAL 60 N 0.00 0.04 0.00 0.00 0.11 -1.13 -5.18 120.40 114.24 2kcz s VAL 60 Ca 0.10 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 2kcz s VAL 60 Cb 0.11 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 2kcz s VAL 60 CO -0.05 -0.18 0.00 -1.20 -3.33 0.00 0.00 175.10 170.34 2kcz n SER 61 N 0.44 1.41 0.00 3.54 7.64 -1.26 -4.36 113.62 121.02 2kcz n SER 61 Ca -0.18 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.33 2kcz n SER 61 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2kcz n SER 61 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2kcz n TRP 62 N 0.00 0.00 -3.06 1.43 7.02 -1.26 -4.97 117.44 116.60 2kcz n TRP 62 Ca 0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.16 2kcz n TRP 62 Cb 0.00 -0.20 -0.05 0.00 -2.42 0.00 0.00 31.31 28.63 2kcz n TRP 62 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2kcz s GLU 63 N 0.00 3.95 -0.23 -0.99 8.01 -1.26 -4.95 118.70 123.24 2kcz s GLU 63 Ca 0.00 0.63 0.00 0.00 0.01 0.00 0.00 54.97 55.61 2kcz s GLU 63 Cb 0.00 -2.41 0.03 0.00 -4.31 0.00 0.00 34.13 27.44 2kcz s GLU 63 CO 0.00 0.10 -0.12 0.00 0.01 0.00 0.00 175.26 175.25 2kcz s ALA 64 N -2.09 2.54 -0.14 5.21 0.00 -1.26 -4.16 121.76 121.86 2kcz s ALA 64 Ca 0.54 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 2kcz s ALA 64 Cb -0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2kcz s ALA 64 CO 0.21 -0.73 0.03 -2.00 0.00 0.00 0.00 175.76 173.27 2kcz s GLU 65 N 1.26 3.58 0.18 0.00 -6.30 -1.20 -4.45 118.70 111.77 2kcz s GLU 65 Ca -0.00 -0.39 -0.15 0.00 -2.50 0.00 0.00 54.97 51.93 2kcz s GLU 65 Cb -0.16 -3.02 -0.07 0.00 0.00 0.00 0.00 34.13 30.88 2kcz s GLU 65 CO -0.08 0.43 0.60 -0.51 0.02 0.00 0.00 175.26 175.73 2kcz s LEU 66 N -0.11 4.31 0.11 2.70 2.01 -1.26 -3.20 118.68 123.24 2kcz s LEU 66 Ca 0.05 1.16 0.21 0.00 0.01 0.00 0.00 54.13 55.57 2kcz s LEU 66 Cb -0.12 -3.43 -0.11 0.00 0.01 0.00 0.00 46.19 42.54 2kcz s LEU 66 CO 0.02 0.05 0.85 1.07 1.01 0.00 0.00 176.35 179.35 2kcz n THR 67 N 0.64 0.63 -5.09 5.49 5.66 -1.17 -4.80 114.28 115.64 2kcz n THR 67 Ca -0.04 -0.58 -0.30 0.00 -3.05 0.00 0.00 64.05 60.08 2kcz n THR 67 Cb 0.52 -0.35 -0.17 0.00 -1.55 0.00 0.00 70.33 68.78 2kcz n THR 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kcz s ALA 68 N -3.28 1.97 -0.09 1.79 0.00 -1.19 -4.96 121.76 116.00 2kcz s ALA 68 Ca -0.03 -0.86 0.13 0.00 0.00 0.00 0.00 51.96 51.21 2kcz s ALA 68 Cb 0.10 -0.75 0.27 0.00 0.00 0.00 0.00 23.12 22.74 2kcz s ALA 68 CO 0.82 0.26 1.13 -3.47 0.00 0.00 0.00 175.76 174.51 2kcz n ASP 69 N 3.53 1.37 -4.76 0.00 2.03 -1.26 -4.38 116.55 113.08 2kcz n ASP 69 Ca -0.20 -2.81 -0.39 0.00 0.52 0.00 0.00 54.79 51.91 2kcz n ASP 69 Cb 0.53 -0.37 -0.04 0.00 -0.72 0.00 0.00 41.12 40.52 2kcz n ASP 69 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kcz s GLU 70 N -1.73 4.45 -0.99 -0.67 2.02 -1.23 -4.90 118.70 115.66 2kcz s GLU 70 Ca 0.25 1.81 -0.23 0.00 0.02 0.00 0.00 54.97 56.82 2kcz s GLU 70 Cb 0.25 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 2kcz s GLU 70 CO -0.03 0.04 1.78 -1.25 0.02 0.00 0.00 175.26 175.81 2kcz s PRO 71 N -1.77 2.96 -0.17 0.39 0.04 -1.26 -3.44 135.00 131.76 2kcz s PRO 71 Ca 0.49 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.78 2kcz s PRO 71 Cb -0.31 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.02 2kcz s PRO 71 CO 0.40 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.84 2kcz n GLY 72 N 6.66 0.45 0.01 0.56 0.00 -1.26 -4.88 105.19 106.73 2kcz n GLY 72 Ca 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 2kcz n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kcz n LYS 73 N -1.81 0.04 -3.70 1.61 5.02 -1.22 -4.25 118.16 113.84 2kcz n LYS 73 Ca -0.02 0.14 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 2kcz n LYS 73 Cb 0.19 -0.69 -0.13 0.00 -0.02 0.00 0.00 35.03 34.39 2kcz n LYS 73 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kcz s ARG 74 N -1.13 0.23 -0.20 1.97 3.52 -1.26 -0.22 118.95 121.86 2kcz s ARG 74 Ca -0.02 0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 56.22 2kcz s ARG 74 Cb 0.00 -0.06 0.06 0.00 -1.56 0.00 0.00 34.95 33.38 2kcz s ARG 74 CO 0.03 -0.20 -0.01 0.42 -0.81 0.00 0.00 175.30 174.73 2kcz s ILE 75 N 1.63 0.92 -0.21 4.11 1.09 0.21 -3.52 121.20 125.42 2kcz s ILE 75 Ca -0.06 -0.74 -0.07 0.00 -1.10 0.00 0.00 60.65 58.68 2kcz s ILE 75 Cb -0.11 -1.28 -0.04 0.00 -1.06 0.00 0.00 42.46 39.98 2kcz s ILE 75 CO -0.09 -0.10 0.06 0.00 -0.10 0.00 0.00 174.94 174.71 2kcz s ALA 76 N 1.69 3.29 0.59 9.38 0.00 -1.26 -1.28 121.76 134.17 2kcz s ALA 76 Ca -0.02 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 2kcz s ALA 76 Cb -0.17 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 2kcz s ALA 76 CO -0.07 -0.09 1.01 1.67 0.00 0.00 0.00 175.76 178.28 2kcz s TRP 77 N 0.88 3.60 0.21 0.00 1.48 -1.11 -3.02 118.94 120.97 2kcz s TRP 77 Ca 0.03 1.29 -0.21 0.00 -1.06 0.00 0.00 56.10 56.16 2kcz s TRP 77 Cb -0.14 -2.71 0.04 0.00 -1.16 0.00 0.00 33.47 29.51 2kcz s TRP 77 CO 0.02 -0.61 0.61 0.50 -4.06 0.00 0.00 176.95 173.41 2kcz s ARG 78 N -4.97 1.46 -0.54 3.25 3.52 -1.25 -4.65 118.95 115.77 2kcz s ARG 78 Ca 0.55 -0.75 0.06 0.00 -0.13 0.00 0.00 55.73 55.47 2kcz s ARG 78 Cb -0.11 0.57 0.34 0.00 -1.56 0.00 0.00 34.95 34.19 2kcz s ARG 78 CO 0.50 -0.64 0.90 0.43 -0.81 0.00 0.00 175.30 175.68 2kcz n SER 79 N -0.39 3.81 -0.93 -2.12 7.64 -1.24 -3.26 113.62 117.12 2kcz n SER 79 Ca -0.11 -3.56 0.04 0.00 1.01 0.00 0.00 58.87 56.25 2kcz n SER 79 Cb 0.62 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2kcz n SER 79 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kcz n LEU 80 N -0.12 -0.88 0.27 -3.43 4.77 -1.19 -3.65 117.00 112.77 2kcz n LEU 80 Ca 0.30 1.65 0.17 0.00 -0.03 0.00 0.00 56.01 58.10 2kcz n LEU 80 Cb 0.44 -1.67 0.72 0.00 -2.33 0.00 0.00 43.42 40.57 2kcz n LEU 80 CO 0.32 -0.82 1.00 -0.65 -1.33 0.00 0.00 177.39 175.90 2kcz h PRO 81 N -0.29 0.00 0.00 3.23 0.11 -1.97 -2.83 132.00 130.26 2kcz h PRO 81 Ca -0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 2kcz h PRO 81 Cb 0.70 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 2kcz h PRO 81 CO 0.02 0.00 -0.23 0.78 -0.21 0.00 0.00 178.00 178.36 2kcz h GLY 82 N 1.88 0.00 -1.13 -0.55 0.00 -1.96 -3.44 103.07 97.87 2kcz h GLY 82 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2kcz h GLY 82 CO 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.27 2kcz s ALA 83 N -3.71 4.49 0.34 3.60 0.00 -1.07 -5.15 121.76 120.27 2kcz s ALA 83 Ca 0.00 -1.35 0.09 0.00 0.00 0.00 0.00 51.96 50.70 2kcz s ALA 83 Cb 0.11 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 22.34 2kcz s ALA 83 CO 0.64 -0.51 -0.05 1.03 0.00 0.00 0.00 175.76 176.86 2kcz s ARG 84 N -4.34 1.93 -0.22 0.00 3.00 -1.26 -4.82 118.95 113.24 2kcz s ARG 84 Ca 0.37 -1.85 -0.01 0.00 0.00 0.00 0.00 55.73 54.23 2kcz s ARG 84 Cb -0.03 -1.80 0.07 0.00 0.00 0.00 0.00 34.95 33.19 2kcz s ARG 84 CO 0.23 0.14 0.02 -1.50 0.00 0.00 0.00 175.30 174.19 2kcz s ILE 85 N -2.57 0.87 0.09 1.52 2.07 -1.26 -4.76 121.20 117.16 2kcz s ILE 85 Ca 0.33 -0.88 -0.09 0.00 -1.41 0.00 0.00 60.65 58.61 2kcz s ILE 85 Cb 0.01 -1.35 -0.24 0.00 0.13 0.00 0.00 42.46 41.02 2kcz s ILE 85 CO 0.18 -0.25 1.20 -0.33 -1.91 0.00 0.00 174.94 173.83 2kcz h GLU 86 N 8.14 0.49 -4.97 3.50 3.07 -2.01 -3.44 114.58 119.36 2kcz h GLU 86 Ca -0.16 -0.61 -0.56 0.00 -0.50 0.00 0.00 59.36 57.53 2kcz h GLU 86 Cb 1.09 0.19 -0.32 0.00 -0.84 0.00 0.00 28.75 28.87 2kcz h GLU 86 CO 0.38 1.24 -0.83 1.21 -1.40 0.00 0.00 179.01 179.60 2kcz s ASN 87 N -7.23 2.13 -0.18 1.42 2.47 -1.26 -5.11 114.94 107.19 2kcz s ASN 87 Ca -0.07 -0.36 -0.14 0.00 0.42 0.00 0.00 52.86 52.71 2kcz s ASN 87 Cb 0.07 -0.83 -0.04 0.00 -1.45 0.00 0.00 41.25 39.00 2kcz s ASN 87 CO 0.90 0.10 0.32 -0.44 -3.72 0.00 0.00 177.10 174.26 2kcz s SER 88 N 0.36 6.41 -0.67 -4.21 0.01 -1.26 -5.03 113.70 109.31 2kcz s SER 88 Ca -0.11 0.48 -0.05 0.00 1.31 0.00 0.00 55.95 57.58 2kcz s SER 88 Cb -0.14 -2.19 0.17 0.00 0.21 0.00 0.00 66.02 64.07 2kcz s SER 88 CO 0.04 0.04 0.52 -0.83 0.41 0.00 0.00 173.24 173.42 2kcz s GLY 89 N 0.70 2.54 -0.28 3.44 0.00 -1.26 -4.28 107.32 108.18 2kcz s GLY 89 Ca 0.17 -3.28 -0.10 0.00 0.00 0.00 0.00 44.72 41.51 2kcz s GLY 89 CO 0.05 1.14 0.15 1.85 0.00 0.00 0.00 173.10 176.29 2kcz s GLU 90 N -0.02 3.69 -0.01 2.90 2.12 -1.11 -2.75 118.70 123.52 2kcz s GLU 90 Ca 0.17 -0.48 0.04 0.00 0.36 0.00 0.00 54.97 55.06 2kcz s GLU 90 Cb -0.18 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2kcz s GLU 90 CO -0.05 -0.26 -0.10 0.14 -0.54 0.00 0.00 175.26 174.45 2kcz s VAL 91 N 1.69 3.38 -0.01 3.70 -7.23 -0.40 -0.88 120.40 120.65 2kcz s VAL 91 Ca 0.06 -0.79 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2kcz s VAL 91 Cb -0.16 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2kcz s VAL 91 CO 0.08 0.46 -0.06 -1.48 -0.31 0.00 0.00 175.10 173.78 2kcz s LEU 92 N -1.18 1.86 -0.29 1.32 -0.00 -0.73 0.63 118.68 120.30 2kcz s LEU 92 Ca 0.15 -0.13 -0.14 0.00 -0.00 0.00 0.00 54.13 54.01 2kcz s LEU 92 Cb -0.11 -0.38 -0.04 0.00 -0.00 0.00 0.00 46.19 45.67 2kcz s LEU 92 CO 0.05 0.06 0.32 -0.36 -0.00 0.00 0.00 176.35 176.41 2kcz s PHE 93 N 0.07 3.23 -0.05 3.48 0.08 0.69 -1.36 117.98 124.13 2kcz s PHE 93 Ca -0.01 0.24 -0.02 0.00 0.12 0.00 0.00 56.93 57.26 2kcz s PHE 93 Cb -0.05 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 2kcz s PHE 93 CO -0.00 -0.25 0.08 1.03 -0.10 0.00 0.00 175.22 175.97 2kcz s ARG 94 N 1.97 3.13 -0.38 0.44 1.81 0.72 -4.71 118.95 121.93 2kcz s ARG 94 Ca 0.12 -0.39 -0.29 0.00 -1.72 0.00 0.00 55.73 53.45 2kcz s ARG 94 Cb -0.16 -2.92 -0.00 0.00 -0.45 0.00 0.00 34.95 31.42 2kcz s ARG 94 CO 0.11 0.69 1.55 -1.25 -0.68 0.00 0.00 175.30 175.71 2kcz s PRO 95 N -1.39 3.49 0.37 3.54 0.04 -1.26 -1.10 135.00 138.69 2kcz s PRO 95 Ca 0.19 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 62.08 2kcz s PRO 95 Cb -0.12 -4.09 -0.09 0.00 0.04 0.00 0.00 34.50 30.24 2kcz s PRO 95 CO 0.09 -1.68 1.09 0.00 0.04 0.00 0.00 177.00 176.55 2kcz s ALA 96 N 5.96 3.18 -0.34 8.56 0.00 -1.10 -4.86 121.76 133.16 2kcz s ALA 96 Ca 0.68 0.82 -0.38 0.00 0.00 0.00 0.00 51.96 53.08 2kcz s ALA 96 Cb -0.17 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 2kcz s ALA 96 CO 0.33 -0.29 2.04 -2.30 0.00 0.00 0.00 175.76 175.54 2kcz n PRO 97 N 0.27 0.98 0.00 0.00 -0.02 -1.26 -3.64 135.00 131.32 2kcz n PRO 97 Ca 0.03 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2kcz n PRO 97 Cb 0.48 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2kcz n PRO 97 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcz n GLY 98 N 5.92 2.00 0.45 -1.23 0.00 -1.26 -2.56 105.19 108.50 2kcz n GLY 98 Ca 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 2kcz n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcz n ALA 99 N 0.00 1.03 0.29 4.61 0.00 -1.24 -4.95 120.51 120.25 2kcz n ALA 99 Ca 0.00 -0.14 0.16 0.00 0.00 0.00 0.00 53.44 53.46 2kcz n ALA 99 Cb 0.00 -0.12 0.84 0.00 0.00 0.00 0.00 19.45 20.18 2kcz n ALA 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2kcz h ARG 100 N 0.00 0.00 0.00 0.00 9.65 -1.61 -3.48 114.38 118.94 2kcz h ARG 100 Ca -0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2kcz h ARG 100 Cb 0.68 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 2kcz h ARG 100 CO -0.06 0.06 0.00 0.41 2.80 0.00 0.00 179.97 183.19 2kcz n GLY 101 N -0.68 0.58 3.52 2.80 0.00 -1.26 -4.62 105.19 105.54 2kcz n GLY 101 Ca -0.02 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 2kcz n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kcz s THR 102 N -1.40 4.43 -0.63 2.61 2.01 0.25 -2.70 115.64 120.21 2kcz s THR 102 Ca 0.00 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 2kcz s THR 102 Cb 0.00 -3.02 0.08 0.00 0.01 0.00 0.00 72.50 69.56 2kcz s THR 102 CO 0.00 0.41 0.88 -0.70 -0.69 0.00 0.00 174.62 174.52 2kcz s GLU 103 N 0.95 3.11 -0.08 4.92 2.12 -0.26 -0.99 118.70 128.47 2kcz s GLU 103 Ca 0.03 -0.92 -0.23 0.00 0.36 0.00 0.00 54.97 54.22 2kcz s GLU 103 Cb -0.14 -4.22 -0.04 0.00 0.26 0.00 0.00 34.13 29.99 2kcz s GLU 103 CO 0.03 -1.70 0.67 0.14 -0.54 0.00 0.00 175.26 173.85 2kcz s VAL 104 N 3.65 5.06 -0.23 3.70 -7.23 0.01 -0.20 120.40 125.16 2kcz s VAL 104 Ca 0.20 1.36 -0.00 0.00 -1.81 0.00 0.00 61.98 61.73 2kcz s VAL 104 Cb -0.18 -4.00 0.03 0.00 0.56 0.00 0.00 36.38 32.78 2kcz s VAL 104 CO 0.10 0.25 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.34 2kcz s VAL 105 N 0.87 2.55 -0.30 1.32 1.01 -0.46 -1.85 120.40 123.54 2kcz s VAL 105 Ca 0.35 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 2kcz s VAL 105 Cb -0.17 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2kcz s VAL 105 CO 0.16 0.27 0.16 -0.69 0.00 0.00 0.00 175.10 175.00 2kcz s VAL 106 N 1.28 4.73 -0.38 2.92 1.01 -1.14 -1.77 120.40 127.06 2kcz s VAL 106 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 2kcz s VAL 106 Cb -0.16 -3.37 0.05 0.00 0.00 0.00 0.00 36.38 32.90 2kcz s VAL 106 CO -0.07 0.11 0.19 -0.13 0.00 0.00 0.00 175.10 175.20 2kcz s ARG 107 N 1.64 2.63 0.02 2.72 0.52 -0.05 -4.04 118.95 122.39 2kcz s ARG 107 Ca 0.05 -1.29 -0.09 0.00 -0.52 0.00 0.00 55.73 53.89 2kcz s ARG 107 Cb -0.17 -3.64 0.00 0.00 0.52 0.00 0.00 34.95 31.66 2kcz s ARG 107 CO 0.07 -0.80 0.17 -0.48 0.02 0.00 0.00 175.30 174.28 2kcz s LEU 108 N 1.43 1.46 -0.14 2.53 2.34 -1.24 -2.75 118.68 122.30 2kcz s LEU 108 Ca 0.01 -0.27 -0.04 0.00 0.06 0.00 0.00 54.13 53.90 2kcz s LEU 108 Cb -0.21 0.81 -0.03 0.00 -0.56 0.00 0.00 46.19 46.20 2kcz s LEU 108 CO 0.03 -0.45 -0.01 0.42 -1.06 0.00 0.00 176.35 175.28 2kcz s THR 109 N -1.89 4.19 0.37 5.48 -4.23 -1.26 -3.41 115.64 114.88 2kcz s THR 109 Ca -0.11 -0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 60.00 2kcz s THR 109 Cb -0.05 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 71.01 2kcz s THR 109 CO -0.01 0.52 0.72 -0.72 -0.54 0.00 0.00 174.62 174.60 2kcz s TYR 110 N -0.00 0.27 -0.03 3.99 1.13 -1.14 -4.85 117.35 116.72 2kcz s TYR 110 Ca 0.02 -0.85 0.01 0.00 -1.41 0.00 0.00 57.07 54.84 2kcz s TYR 110 Cb -0.13 0.65 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 2kcz s TYR 110 CO 0.02 -1.46 -0.02 1.03 -2.51 0.00 0.00 175.55 172.61 2kcz s ARG 111 N -2.59 2.80 0.53 -3.49 0.52 -1.26 0.17 118.95 115.63 2kcz s ARG 111 Ca 0.18 -0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 54.77 2kcz s ARG 111 Cb -0.04 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.74 2kcz s ARG 111 CO 0.13 0.65 0.84 -1.25 0.02 0.00 0.00 175.30 175.68 2kcz s PRO 112 N -1.29 3.27 0.79 3.54 0.04 -1.26 -4.93 135.00 135.15 2kcz s PRO 112 Ca 0.17 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.22 2kcz s PRO 112 Cb -0.11 -2.32 0.06 0.00 0.04 0.00 0.00 34.50 32.17 2kcz s PRO 112 CO 0.07 -0.43 1.09 -1.25 0.04 0.00 0.00 177.00 176.51 2kcz s PRO 113 N -4.86 2.16 -0.17 0.56 0.04 -1.26 -4.93 135.00 126.53 2kcz s PRO 113 Ca 0.50 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 2kcz s PRO 113 Cb -0.10 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 2kcz s PRO 113 CO 0.45 -1.63 2.85 0.41 0.04 0.00 0.00 177.00 179.13 2kcz n GLY 114 N -1.68 3.45 1.63 0.56 0.00 -1.26 -4.34 105.19 103.55 2kcz n GLY 114 Ca 0.08 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 2kcz n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcz n GLY 115 N 1.54 5.30 0.21 -0.02 0.00 -1.26 -4.68 105.19 106.28 2kcz n GLY 115 Ca 0.35 -1.65 0.04 0.00 0.00 0.00 0.00 46.02 44.76 2kcz n GLY 115 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kcz h SER 116 N 1.37 0.03 0.19 1.61 0.02 -2.01 -2.53 113.55 112.24 2kcz h SER 116 Ca 0.36 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 2kcz h SER 116 Cb 1.64 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.17 2kcz h SER 116 CO 0.73 0.26 -0.14 0.00 -1.14 0.00 0.00 176.83 176.54 2kcz h ALA 117 N 1.74 1.61 -0.89 3.77 0.00 -1.97 -2.59 119.26 120.94 2kcz h ALA 117 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kcz h ALA 117 Cb 0.42 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2kcz h ALA 117 CO 0.03 0.17 0.54 0.78 0.00 0.00 0.00 179.25 180.77 2kcz h GLY 118 N 0.52 1.29 1.60 0.00 0.00 -1.83 -1.24 103.07 103.40 2kcz h GLY 118 Ca -0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 2kcz h GLY 118 CO 0.02 0.52 -0.18 0.00 0.00 0.00 0.00 176.54 176.90 2kcz h ALA 119 N 1.37 1.19 -0.31 3.60 0.00 -1.61 -0.08 119.26 123.41 2kcz h ALA 119 Ca 0.32 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2kcz h ALA 119 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kcz h ALA 119 CO -0.06 0.52 -0.17 0.28 0.00 0.00 0.00 179.25 179.82 2kcz h VAL 120 N 0.44 1.29 -0.42 0.00 2.07 -1.39 -2.79 116.25 115.46 2kcz h VAL 120 Ca 0.07 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 2kcz h VAL 120 Cb 0.56 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2kcz h VAL 120 CO 0.04 0.41 -0.08 0.40 0.02 0.00 0.00 177.57 178.36 2kcz h ILE 121 N 0.42 1.25 0.00 4.57 1.08 -0.97 -2.39 117.51 121.46 2kcz h ILE 121 Ca 0.07 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 2kcz h ILE 121 Cb 0.71 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2kcz h ILE 121 CO 0.05 0.37 0.00 0.00 -0.69 0.00 0.00 178.15 177.88 2kcz h ALA 122 N 1.24 1.00 -0.04 1.87 0.00 -0.86 -1.71 119.26 120.76 2kcz h ALA 122 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2kcz h ALA 122 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kcz h ALA 122 CO 0.03 0.00 -0.69 -0.09 0.00 0.00 0.00 179.25 178.50 2kcz h ARG 123 N 0.00 0.19 0.00 0.00 2.43 -1.16 -3.01 114.38 112.83 2kcz h ARG 123 Ca 0.00 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 2kcz h ARG 123 Cb 0.26 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2kcz h ARG 123 CO 0.00 0.81 -0.33 1.98 -1.51 0.00 0.00 179.97 180.92 2kcz h MET 124 N 0.13 0.00 -7.34 0.20 4.05 -1.37 -3.45 114.93 107.14 2kcz h MET 124 Ca -0.02 0.00 -0.45 0.00 -0.28 0.00 0.00 59.70 58.96 2kcz h MET 124 Cb 1.24 0.00 0.17 0.00 -0.80 0.00 0.00 31.60 32.20 2kcz h MET 124 CO 0.10 0.33 0.17 0.12 0.23 0.00 0.00 176.91 177.86 2kcz s PHE 125 N -3.73 1.96 0.74 1.39 5.36 -1.14 -4.97 117.98 117.59 2kcz s PHE 125 Ca -0.00 0.96 -0.16 0.00 -0.96 0.00 0.00 56.93 56.77 2kcz s PHE 125 Cb 0.11 -3.26 0.01 0.00 -0.34 0.00 0.00 43.02 39.54 2kcz s PHE 125 CO 0.67 -3.08 0.94 -1.71 -1.46 0.00 0.00 175.22 170.58 2kcz n ASN 126 N -4.30 0.32 -0.03 6.13 5.15 -1.26 -4.92 115.26 116.33 2kcz n ASN 126 Ca 0.05 0.64 -0.12 0.00 -0.60 0.00 0.00 54.58 54.55 2kcz n ASN 126 Cb 0.57 -1.39 -0.08 0.00 -0.53 0.00 0.00 39.78 38.34 2kcz n ASN 126 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 2kcz h GLN 127 N -0.36 -0.44 -5.90 1.20 5.75 -1.93 -3.48 115.11 109.96 2kcz h GLN 127 Ca -0.47 0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 57.93 2kcz h GLN 127 Cb 1.33 0.10 0.01 0.00 1.07 0.00 0.00 27.48 29.99 2kcz h GLN 127 CO 0.46 -0.29 -0.94 0.39 -2.65 0.00 0.00 178.83 175.80 2kcz n GLU 128 N -4.95 -1.99 -1.82 1.69 -0.58 -1.26 -4.78 120.64 106.94 2kcz n GLU 128 Ca -0.05 1.74 -0.38 0.00 -0.42 0.00 0.00 57.16 58.05 2kcz n GLU 128 Cb 0.31 -3.43 -0.03 0.00 -0.57 0.00 0.00 31.44 27.72 2kcz n GLU 128 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kcz s PRO 129 N -2.02 2.55 0.00 3.49 0.04 -1.26 -4.84 135.00 132.96 2kcz s PRO 129 Ca 0.19 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2kcz s PRO 129 Cb -0.03 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2kcz s PRO 129 CO 0.64 -2.79 0.00 0.45 0.04 0.00 0.00 177.00 175.34 2kcz n SER 130 N 13.58 0.00 -0.07 6.66 2.88 -1.26 -5.07 113.62 130.34 2kcz n SER 130 Ca 0.28 -0.62 -0.21 0.00 -1.33 0.00 0.00 58.87 56.98 2kcz n SER 130 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 2kcz n SER 130 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2kcz h GLN 131 N 0.00 0.07 -6.88 -1.46 1.08 -2.01 -3.48 115.11 102.43 2kcz h GLN 131 Ca 0.00 -0.12 -0.58 0.00 -1.45 0.00 0.00 58.65 56.50 2kcz h GLN 131 Cb 0.00 0.05 -0.18 0.00 -0.05 0.00 0.00 27.48 27.30 2kcz h GLN 131 CO 0.00 1.06 -0.93 0.00 -0.95 0.00 0.00 178.83 178.01 2kcz n GLN 132 N -4.23 -1.86 -3.51 1.46 10.64 -1.26 -4.91 117.38 113.70 2kcz n GLN 132 Ca -0.30 0.22 -0.10 0.00 -1.83 0.00 0.00 57.00 54.99 2kcz n GLN 132 Cb 0.75 -4.14 -0.02 0.00 -0.86 0.00 0.00 30.24 25.98 2kcz n GLN 132 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2kcz s LEU 133 N -7.23 -0.48 0.00 2.61 2.96 -1.26 -4.95 118.68 110.33 2kcz s LEU 133 Ca 0.15 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2kcz s LEU 133 Cb -0.09 2.52 0.00 0.00 0.50 0.00 0.00 46.19 49.13 2kcz s LEU 133 CO 0.96 -0.98 0.00 -1.14 -1.32 0.00 0.00 176.35 173.87 2kcz n ARG 134 N -0.38 -0.44 -0.26 1.98 0.63 -1.26 -4.88 116.66 112.05 2kcz n ARG 134 Ca -0.13 0.11 0.02 0.00 -0.92 0.00 0.00 57.85 56.93 2kcz n ARG 134 Cb 0.63 -3.51 0.15 0.00 0.45 0.00 0.00 32.46 30.19 2kcz n ARG 134 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2kcz h ASP 135 N 0.00 0.50 -0.12 6.15 1.82 -1.98 0.93 116.42 123.73 2kcz h ASP 135 Ca 0.00 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.66 2kcz h ASP 135 Cb 0.22 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.20 2kcz h ASP 135 CO 0.00 0.28 -0.07 -0.78 -1.61 0.00 0.00 179.24 177.06 2kcz h ASP 136 N 0.64 0.27 0.69 2.28 3.58 -2.00 -2.00 116.42 119.87 2kcz h ASP 136 Ca 0.37 -0.43 -0.05 0.00 0.42 0.00 0.00 57.03 57.33 2kcz h ASP 136 Cb 0.38 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2kcz h ASP 136 CO -0.27 0.64 -0.26 0.25 -2.88 0.00 0.00 179.24 176.72 2kcz h LEU 137 N -0.10 0.00 -0.80 2.28 5.85 -1.77 -1.75 115.31 119.02 2kcz h LEU 137 Ca 0.03 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 2kcz h LEU 137 Cb 0.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2kcz h LEU 137 CO 0.02 0.26 -0.46 -0.03 -0.34 0.00 0.00 178.44 177.89 2kcz h MET 138 N 0.00 0.31 -0.59 1.25 4.05 0.10 -1.90 114.93 118.14 2kcz h MET 138 Ca -0.00 -0.17 -0.10 0.00 -0.28 0.00 0.00 59.70 59.15 2kcz h MET 138 Cb 0.67 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 2kcz h MET 138 CO 0.03 0.71 -0.02 0.00 0.23 0.00 0.00 176.91 177.86 2kcz h ARG 139 N 0.25 1.05 0.04 0.39 -0.00 -0.56 0.31 114.38 115.86 2kcz h ARG 139 Ca 0.02 -0.34 0.02 0.00 -0.50 0.00 0.00 59.98 59.17 2kcz h ARG 139 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.77 2kcz h ARG 139 CO 0.08 1.04 -0.14 0.35 0.00 0.00 0.00 179.97 181.29 2kcz h PHE 140 N 0.96 -0.36 -0.58 3.04 3.57 -1.22 0.06 116.94 122.40 2kcz h PHE 140 Ca 0.17 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.70 2kcz h PHE 140 Cb 0.58 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 2kcz h PHE 140 CO 0.04 -0.21 0.39 -0.22 -2.23 0.00 0.00 178.31 176.07 2kcz h LYS 141 N -0.26 0.68 0.78 1.11 3.11 -1.10 0.49 116.57 121.38 2kcz h LYS 141 Ca 0.04 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 2kcz h LYS 141 Cb 0.30 -0.15 0.01 0.00 -1.00 0.00 0.00 32.23 31.38 2kcz h LYS 141 CO -0.11 0.45 -0.38 -0.09 -2.81 0.00 0.00 179.45 176.51 2kcz h ARG 142 N 0.70 -1.02 -0.24 1.90 9.65 0.44 -3.00 114.38 122.81 2kcz h ARG 142 Ca 0.23 0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 59.14 2kcz h ARG 142 Cb 0.06 0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2kcz h ARG 142 CO -0.06 -0.66 -0.01 0.93 2.80 0.00 0.00 179.97 182.97 2kcz h GLU 143 N -1.18 0.36 -0.76 0.20 5.08 -0.84 0.36 114.58 117.80 2kcz h GLU 143 Ca -0.11 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2kcz h GLU 143 Cb 0.82 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 2kcz h GLU 143 CO 0.18 0.40 0.50 0.37 -1.00 0.00 0.00 179.01 179.46 2kcz h GLN 144 N 0.35 0.86 0.00 2.33 4.15 -0.78 0.24 115.11 122.26 2kcz h GLN 144 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2kcz h GLN 144 Cb 0.26 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2kcz h GLN 144 CO 0.01 0.57 -1.31 -0.85 -1.93 0.00 0.00 178.83 175.31 2kcz n GLU 145 N -4.46 0.93 0.04 1.69 0.28 -1.11 -4.60 120.64 113.41 2kcz n GLU 145 Ca 0.10 -0.08 -0.20 0.00 -0.16 0.00 0.00 57.16 56.82 2kcz n GLU 145 Cb 0.16 -1.21 -0.14 0.00 1.43 0.00 0.00 31.44 31.67 2kcz n GLU 145 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2kcz h LEU 146 N 0.00 0.47 0.00 -1.84 6.46 -0.79 -3.49 115.31 116.11 2kcz h LEU 146 Ca 0.00 -0.81 0.00 0.00 -0.12 0.00 0.00 57.88 56.95 2kcz h LEU 146 Cb 0.45 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2kcz h LEU 146 CO 0.00 1.70 0.00 0.61 -0.62 0.00 0.00 178.44 180.13 2kcz n GLY 147 N 1.85 3.31 3.65 3.75 0.00 0.84 -5.02 105.19 113.56 2kcz n GLY 147 Ca -0.25 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2kcz n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kcz s LEU 148 N 0.00 -0.24 -0.26 0.99 1.98 -1.25 -4.80 118.68 115.09 2kcz s LEU 148 Ca 0.00 0.39 -0.00 0.00 -2.89 0.00 0.00 54.13 51.63 2kcz s LEU 148 Cb 0.00 1.36 0.08 0.00 0.66 0.00 0.00 46.19 48.29 2kcz s LEU 148 CO 0.00 -0.06 0.04 -0.70 -1.89 0.00 0.00 176.35 173.73 2kcz s GLU 149 N 1.12 1.01 -0.04 1.98 2.12 -1.26 -4.94 118.70 118.69 2kcz s GLU 149 Ca -0.08 -0.95 0.06 0.00 0.36 0.00 0.00 54.97 54.36 2kcz s GLU 149 Cb -0.03 -2.29 0.10 0.00 0.26 0.00 0.00 34.13 32.17 2kcz s GLU 149 CO -0.12 -0.79 1.05 1.58 -0.54 0.00 0.00 175.26 176.44 2kcz n HIS 150 N 4.80 0.00 -2.53 5.30 -0.00 -1.26 -4.94 115.22 116.59 2kcz n HIS 150 Ca -0.06 -0.34 -0.37 0.00 0.46 0.00 0.00 57.72 57.41 2kcz n HIS 150 Cb 0.44 -0.08 -0.04 0.00 -0.12 0.00 0.00 29.99 30.19 2kcz n HIS 150 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kcz s HIS 151 N -0.98 3.26 -1.21 1.57 3.76 -1.26 -4.92 115.29 115.51 2kcz s HIS 151 Ca 0.11 1.64 -0.22 0.00 -0.15 0.00 0.00 55.06 56.44 2kcz s HIS 151 Cb 0.09 -3.15 -0.06 0.00 1.11 0.00 0.00 32.58 30.58 2kcz s HIS 151 CO 0.01 -0.67 1.89 -1.58 -0.85 0.00 0.00 174.74 173.54 2kcz s HIS 152 N -1.63 2.11 -0.13 1.40 2.46 -1.26 -4.92 115.29 113.33 2kcz s HIS 152 Ca 0.57 0.06 -0.29 0.00 0.47 0.00 0.00 55.06 55.87 2kcz s HIS 152 Cb -0.23 -4.15 -0.02 0.00 -0.13 0.00 0.00 32.58 28.06 2kcz s HIS 152 CO 0.29 -1.32 1.19 -1.01 -2.47 0.00 0.00 174.74 171.42 2kcz s HIS 153 N 9.70 3.09 -0.07 3.88 4.02 -1.26 -4.88 115.29 129.77 2kcz s HIS 153 Ca 0.66 1.19 0.03 0.00 1.02 0.00 0.00 55.06 57.95 2kcz s HIS 153 Cb 0.00 -3.42 -0.25 0.00 -1.02 0.00 0.00 32.58 27.89 2kcz s HIS 153 CO 0.12 -1.29 0.54 0.45 1.02 0.00 0.00 174.74 175.58 2kcz h HIS 154 N 7.75 0.24 0.00 1.40 3.86 -2.06 -3.55 115.15 122.78 2kcz h HIS 154 Ca -0.29 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2kcz h HIS 154 Cb 1.12 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2kcz h HIS 154 CO 0.76 1.37 0.00 0.72 0.86 0.00 0.00 177.93 181.64