#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 0.69 3.94 3.17 0.00 -1.26 -5.08 105.19 106.65 2kcz n GLY 2 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2kcz n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kcz s GLU 3 N 0.00 2.16 -0.26 1.61 8.01 -1.26 -5.06 118.70 123.90 2kcz s GLU 3 Ca 0.00 -0.36 -0.12 0.00 0.01 0.00 0.00 54.97 54.50 2kcz s GLU 3 Cb 0.00 -2.20 -0.05 0.00 -4.31 0.00 0.00 34.13 27.57 2kcz s GLU 3 CO 0.00 -1.23 0.23 0.99 0.01 0.00 0.00 175.26 175.26 2kcz s THR 4 N -3.21 5.29 -0.23 3.63 2.01 -1.17 -5.02 115.64 116.93 2kcz s THR 4 Ca 0.61 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.92 2kcz s THR 4 Cb -0.10 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.89 2kcz s THR 4 CO 0.44 0.26 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.81 2kcz s VAL 5 N 1.60 2.07 -0.26 3.82 1.01 -1.26 -0.18 120.40 127.20 2kcz s VAL 5 Ca 0.10 -1.39 -0.12 0.00 0.00 0.00 0.00 61.98 60.57 2kcz s VAL 5 Cb -0.15 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 2kcz s VAL 5 CO 0.09 0.13 0.21 -0.69 0.00 0.00 0.00 175.10 174.84 2kcz s VAL 6 N 1.19 5.31 -0.24 2.92 1.01 0.83 -4.88 120.40 126.53 2kcz s VAL 6 Ca -0.05 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2kcz s VAL 6 Cb -0.18 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.71 2kcz s VAL 6 CO -0.07 0.28 -0.04 -0.60 0.00 0.00 0.00 175.10 174.66 2kcz s ARG 7 N 1.45 1.55 0.08 2.72 3.52 -1.25 -1.40 118.95 125.63 2kcz s ARG 7 Ca 0.09 -0.98 0.05 0.00 -0.13 0.00 0.00 55.73 54.76 2kcz s ARG 7 Cb -0.15 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 2kcz s ARG 7 CO 0.08 -0.62 -0.14 0.34 -0.81 0.00 0.00 175.30 174.16 2kcz s ASP 8 N 1.41 1.68 -0.04 -2.12 -1.08 -1.18 -5.00 116.67 110.35 2kcz s ASP 8 Ca -0.05 -0.66 0.01 0.00 -0.52 0.00 0.00 52.55 51.33 2kcz s ASP 8 Cb -0.19 -0.04 0.02 0.00 -1.46 0.00 0.00 42.92 41.25 2kcz s ASP 8 CO -0.07 -0.11 -0.02 0.00 0.52 0.00 0.00 175.17 175.50 2kcz s ALA 9 N -1.50 0.51 0.03 3.66 0.00 -1.26 -3.30 121.76 119.89 2kcz s ALA 9 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.09 2kcz s ALA 9 Cb -0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2kcz s ALA 9 CO 0.02 -0.05 -0.26 0.14 0.00 0.00 0.00 175.76 175.61 2kcz s VAL 10 N 0.99 2.06 -0.31 0.00 -7.23 -1.03 -4.98 120.40 109.89 2kcz s VAL 10 Ca -0.10 -1.29 -0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2kcz s VAL 10 Cb -0.14 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.06 2kcz s VAL 10 CO -0.01 0.40 0.11 -0.89 -0.31 0.00 0.00 175.10 174.41 2kcz s THR 11 N -0.75 4.14 -0.07 5.32 2.01 -1.26 -1.44 115.64 123.59 2kcz s THR 11 Ca 0.11 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.42 2kcz s THR 11 Cb -0.10 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 2kcz s THR 11 CO 0.01 0.02 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.26 2kcz s ILE 12 N 1.52 3.65 -1.61 1.82 1.09 0.46 -4.91 121.20 123.23 2kcz s ILE 12 Ca 0.03 -0.50 -0.10 0.00 -1.10 0.00 0.00 60.65 58.98 2kcz s ILE 12 Cb -0.18 -2.49 -0.08 0.00 -1.06 0.00 0.00 42.46 38.66 2kcz s ILE 12 CO 0.04 0.60 2.92 0.61 -0.10 0.00 0.00 174.94 179.00 2kcz n GLY 13 N 2.27 4.30 3.00 6.18 0.00 -1.26 -0.00 105.19 119.68 2kcz n GLY 13 Ca -0.18 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 0.35 0.08 1.61 1.02 -1.26 -4.97 119.74 118.63 2kcz s LYS 14 Ca 0.69 -0.60 -0.35 0.00 0.02 0.00 0.00 55.97 55.72 2kcz s LYS 14 Cb 0.18 0.13 -0.17 0.00 -0.52 0.00 0.00 37.83 37.45 2kcz s LYS 14 CO -0.06 -0.06 1.57 -1.35 -0.92 0.00 0.00 175.35 174.53 2kcz h PRO 15 N 4.54 -0.98 0.00 -1.68 0.11 -1.88 -3.26 132.00 128.84 2kcz h PRO 15 Ca -0.32 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2kcz h PRO 15 Cb 1.21 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.54 2kcz h PRO 15 CO 0.42 -0.65 0.00 0.00 -0.21 0.00 0.00 178.00 177.55 2kcz n ALA 16 N -2.76 0.00 -0.09 -0.75 0.00 -1.26 -4.75 120.51 110.90 2kcz n ALA 16 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 2kcz n ALA 16 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.34 -0.00 0.00 4.81 -1.92 -1.02 114.58 116.11 2kcz h GLU 17 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2kcz h GLU 17 Cb 0.00 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2kcz h GLU 17 CO 0.00 -0.23 -0.03 0.00 -0.73 0.00 0.00 179.01 178.02 2kcz n GLN 18 N -5.42 0.25 0.15 1.92 0.00 -1.26 -2.85 117.38 110.17 2kcz n GLN 18 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 57.00 56.99 2kcz n GLN 18 Cb 0.35 -1.50 0.15 0.00 0.00 0.00 0.00 30.24 29.24 2kcz n GLN 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2kcz h LEU 19 N 0.05 0.00 -1.50 2.61 3.38 -1.57 -3.05 115.31 115.23 2kcz h LEU 19 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2kcz h LEU 19 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2kcz h LEU 19 CO 0.00 0.54 -0.25 1.88 0.09 0.00 0.00 178.44 180.70 2kcz h TYR 20 N 0.00 0.00 0.00 1.13 0.05 -1.42 -2.58 116.97 114.16 2kcz h TYR 20 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2kcz h TYR 20 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 2kcz h TYR 20 CO 0.00 0.25 0.00 0.00 -1.05 0.00 0.00 178.16 177.36 2kcz n ALA 21 N -2.48 2.02 0.32 3.88 0.00 -1.15 -3.48 120.51 119.62 2kcz n ALA 21 Ca -0.02 -0.08 0.20 0.00 0.00 0.00 0.00 53.44 53.53 2kcz n ALA 21 Cb 0.31 -1.35 1.09 0.00 0.00 0.00 0.00 19.45 19.51 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 0.22 0.00 0.00 3.04 -1.58 0.54 116.25 118.47 2kcz h VAL 22 Ca 0.00 -0.01 -0.04 0.00 -1.01 0.00 0.00 66.70 65.64 2kcz h VAL 22 Cb 0.31 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 2kcz h VAL 22 CO 0.00 0.00 -0.18 -0.25 -1.01 0.00 0.00 177.57 176.13 2kcz h TRP 23 N 0.00 0.00 0.00 3.17 2.91 -1.81 -3.09 115.95 117.13 2kcz h TRP 23 Ca -0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2kcz h TRP 23 Cb 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 2kcz h TRP 23 CO 0.00 0.18 -0.20 -2.13 -1.03 0.00 0.00 178.44 175.26 2kcz n ARG 24 N -3.38 0.78 -1.13 2.65 3.00 -0.00 -5.12 116.66 113.47 2kcz n ARG 24 Ca -0.00 -1.86 0.14 0.00 -0.00 0.00 0.00 57.85 56.13 2kcz n ARG 24 Cb 0.39 -1.06 -0.07 0.00 0.00 0.00 0.00 32.46 31.72 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 -0.79 -6.28 -4.05 6.15 2.03 -0.14 -4.80 116.55 108.67 2kcz n ASP 25 Ca 0.09 1.07 -0.34 0.00 0.52 0.00 0.00 54.79 56.12 2kcz n ASP 25 Cb 0.65 -3.83 -0.10 0.00 -0.72 0.00 0.00 41.12 37.12 2kcz n ASP 25 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2kcz s LEU 26 N -6.60 5.16 0.06 -2.67 2.34 -1.26 -4.57 118.68 111.14 2kcz s LEU 26 Ca 0.00 -3.30 0.26 0.00 0.06 0.00 0.00 54.13 51.15 2kcz s LEU 26 Cb 0.00 -1.81 0.76 0.00 -0.56 0.00 0.00 46.19 44.57 2kcz s LEU 26 CO 0.00 -0.25 1.62 -0.81 -1.06 0.00 0.00 176.35 175.85 2kcz n PRO 27 N 2.84 0.11 -2.41 1.48 -0.05 -1.26 -4.99 135.00 130.72 2kcz n PRO 27 Ca 0.14 0.06 -0.07 0.00 -0.05 0.00 0.00 63.50 63.57 2kcz n PRO 27 Cb 0.36 -1.59 0.04 0.00 -0.05 0.00 0.00 33.50 32.26 2kcz n PRO 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2kcz n GLY 28 N 1.43 -0.06 2.36 0.55 0.00 -1.26 -5.03 105.19 103.19 2kcz n GLY 28 Ca 0.05 0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.37 -0.23 -0.20 0.99 -0.00 -1.26 -4.91 117.00 109.03 2kcz n LEU 29 Ca -0.06 -4.57 0.15 0.00 -0.00 0.00 0.00 56.01 51.53 2kcz n LEU 29 Cb 0.56 0.78 0.74 0.00 -0.00 0.00 0.00 43.42 45.51 2kcz n LEU 29 CO 0.29 2.21 0.99 -0.81 -0.00 0.00 0.00 177.39 180.06 2kcz n PRO 30 N 0.39 1.22 -1.28 1.47 -0.05 -1.26 -3.93 135.00 131.57 2kcz n PRO 30 Ca 0.19 -0.41 -0.28 0.00 -0.05 0.00 0.00 63.50 62.95 2kcz n PRO 30 Cb 0.67 -1.49 0.13 0.00 -0.05 0.00 0.00 33.50 32.76 2kcz n PRO 30 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2kcz n LEU 31 N -0.53 7.05 0.15 1.53 4.32 -1.26 -4.58 117.00 123.68 2kcz n LEU 31 Ca 0.21 -3.95 0.12 0.00 -0.02 0.00 0.00 56.01 52.38 2kcz n LEU 31 Cb 0.23 -0.88 0.52 0.00 -1.62 0.00 0.00 43.42 41.66 2kcz n LEU 31 CO 0.18 1.27 0.87 0.17 -1.22 0.00 0.00 177.39 178.66 2kcz h LEU 32 N 1.48 0.00 0.00 2.23 -0.00 -1.89 -3.49 115.31 113.64 2kcz h LEU 32 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.49 2kcz h LEU 32 Cb 1.87 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.53 2kcz h LEU 32 CO 1.30 0.00 0.00 0.80 -0.00 0.00 0.00 178.44 180.54 2kcz n MET 33 N -2.33 0.00 -2.57 0.17 0.00 -1.26 -2.26 117.12 108.87 2kcz n MET 33 Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.30 2kcz n MET 33 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.43 2kcz n MET 33 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2kcz s THR 34 N 0.00 3.98 -0.45 1.12 -4.23 -1.26 -4.40 115.64 110.40 2kcz s THR 34 Ca 0.00 -1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2kcz s THR 34 Cb 0.00 -5.09 0.01 0.00 1.34 0.00 0.00 72.50 68.75 2kcz s THR 34 CO 0.00 -1.96 0.49 1.41 -0.54 0.00 0.00 174.62 174.02 2kcz n HIS 35 N 8.73 -2.38 -3.92 3.99 -0.00 -1.26 -5.05 115.22 115.34 2kcz n HIS 35 Ca 0.37 0.93 -0.30 0.00 -0.00 0.00 0.00 57.72 58.72 2kcz n HIS 35 Cb 0.50 -3.43 -0.16 0.00 -0.00 0.00 0.00 29.99 26.89 2kcz n HIS 35 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2kcz s LEU 36 N -2.91 2.33 0.16 2.41 2.96 -0.96 -5.04 118.68 117.62 2kcz s LEU 36 Ca 0.08 -1.08 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 2kcz s LEU 36 Cb -0.02 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.57 2kcz s LEU 36 CO 0.56 -0.23 0.00 -1.14 -1.32 0.00 0.00 176.35 174.22 2kcz n ARG 37 N 4.73 -1.10 -2.16 1.98 0.63 -1.26 -4.76 116.66 114.72 2kcz n ARG 37 Ca -0.12 0.85 -0.40 0.00 -0.92 0.00 0.00 57.85 57.26 2kcz n ARG 37 Cb 0.45 -1.06 -0.03 0.00 0.45 0.00 0.00 32.46 32.27 2kcz n ARG 37 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2kcz s SER 38 N -3.54 5.60 0.12 6.15 0.01 -1.26 -4.93 113.70 115.86 2kcz s SER 38 Ca 0.00 0.35 -0.20 0.00 1.31 0.00 0.00 55.95 57.41 2kcz s SER 38 Cb 0.00 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.75 2kcz s SER 38 CO 0.00 -2.11 0.50 0.54 0.41 0.00 0.00 173.24 172.57 2kcz s VAL 39 N 7.88 0.04 0.80 3.43 0.11 -1.26 -5.16 120.40 126.23 2kcz s VAL 39 Ca 0.62 -0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 59.24 2kcz s VAL 39 Cb -0.13 -1.07 0.08 0.00 -1.53 0.00 0.00 36.38 33.73 2kcz s VAL 39 CO 0.22 -0.17 1.18 -1.61 -3.33 0.00 0.00 175.10 171.40 2kcz s GLU 40 N -3.49 1.73 -0.07 1.54 8.01 -1.26 -4.98 118.70 120.19 2kcz s GLU 40 Ca 0.00 1.67 -0.18 0.00 0.01 0.00 0.00 54.97 56.47 2kcz s GLU 40 Cb 0.00 -1.80 -0.14 0.00 -4.31 0.00 0.00 34.13 27.89 2kcz s GLU 40 CO -0.10 -2.12 0.71 -0.24 0.01 0.00 0.00 175.26 173.51 2kcz h VAL 41 N -0.91 0.73 0.00 2.63 3.04 -1.99 -3.47 116.25 116.28 2kcz h VAL 41 Ca -0.46 -1.18 0.00 0.00 -1.01 0.00 0.00 66.70 64.05 2kcz h VAL 41 Cb 1.28 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2kcz h VAL 41 CO 0.47 0.20 0.00 0.18 -1.01 0.00 0.00 177.57 177.41 2kcz n LEU 42 N -4.89 -0.21 0.00 3.16 7.99 -1.26 -4.95 117.00 116.83 2kcz n LEU 42 Ca -0.07 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 2kcz n LEU 42 Cb 0.24 0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 2kcz n LEU 42 CO 0.22 -0.50 0.00 0.47 -1.51 0.00 0.00 177.39 176.07 2kcz n ASP 43 N -2.65 0.00 0.04 -1.43 9.92 -1.22 -4.62 116.55 116.58 2kcz n ASP 43 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 2kcz n ASP 43 Cb 0.00 -0.41 0.03 0.00 -0.64 0.00 0.00 41.12 40.10 2kcz n ASP 43 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2kcz n ASP 44 N 0.00 0.61 -2.90 -2.24 5.75 -1.26 -4.75 116.55 111.77 2kcz n ASP 44 Ca 0.00 -0.12 -0.01 0.00 -0.01 0.00 0.00 54.79 54.65 2kcz n ASP 44 Cb 0.00 0.75 0.01 0.00 -1.03 0.00 0.00 41.12 40.85 2kcz n ASP 44 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kcz s LYS 45 N -3.22 0.65 0.10 0.11 2.36 -1.26 -5.03 119.74 113.45 2kcz s LYS 45 Ca 0.03 -0.44 0.00 0.00 -2.55 0.00 0.00 55.97 53.01 2kcz s LYS 45 Cb 0.14 0.02 0.00 0.00 -1.05 0.00 0.00 37.83 36.94 2kcz s LYS 45 CO 0.80 -0.87 0.00 -2.13 1.55 0.00 0.00 175.35 174.69 2kcz n ARG 46 N 3.53 -1.19 -3.52 4.03 0.63 -1.26 -4.82 116.66 114.06 2kcz n ARG 46 Ca 0.12 0.87 -0.08 0.00 -0.92 0.00 0.00 57.85 57.84 2kcz n ARG 46 Cb 0.59 -0.96 -0.08 0.00 0.45 0.00 0.00 32.46 32.46 2kcz n ARG 46 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2kcz s SER 47 N -1.52 -0.15 0.00 6.15 0.01 -1.15 -3.38 113.70 113.66 2kcz s SER 47 Ca 0.00 0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2kcz s SER 47 Cb 0.00 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.56 2kcz s SER 47 CO 0.00 -0.26 0.55 -2.11 0.41 0.00 0.00 173.24 171.84 2kcz n ARG 48 N 5.38 0.56 -3.21 12.44 1.85 -1.26 -3.88 116.66 128.55 2kcz n ARG 48 Ca -0.06 -0.65 -0.10 0.00 -1.00 0.00 0.00 57.85 56.03 2kcz n ARG 48 Cb 0.50 -0.61 0.01 0.00 -1.05 0.00 0.00 32.46 31.30 2kcz n ARG 48 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2kcz n TRP 49 N -0.10 -2.87 0.00 2.89 8.01 -1.26 -4.91 117.44 119.20 2kcz n TRP 49 Ca 0.00 1.13 0.00 0.00 -1.31 0.00 0.00 57.50 57.32 2kcz n TRP 49 Cb 0.42 -3.63 0.00 0.00 -2.01 0.00 0.00 31.31 26.08 2kcz n TRP 49 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2kcz n THR 50 N -1.52 0.00 -1.23 -0.99 -2.24 -1.26 -5.02 114.28 102.02 2kcz n THR 50 Ca -0.05 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 2kcz n THR 50 Cb 0.55 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 2kcz n THR 50 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2kcz n VAL 51 N -1.67 0.00 0.16 2.28 3.14 -1.26 -4.76 118.33 116.22 2kcz n VAL 51 Ca 0.00 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.49 2kcz n VAL 51 Cb 0.00 -1.33 -0.16 0.00 -1.06 0.00 0.00 33.84 31.29 2kcz n VAL 51 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2kcz n GLU 52 N -0.83 0.55 -4.00 1.45 1.02 -1.26 -4.95 120.64 112.61 2kcz n GLU 52 Ca -0.10 -0.16 -0.30 0.00 -0.02 0.00 0.00 57.16 56.58 2kcz n GLU 52 Cb 0.52 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 2kcz n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcz s ALA 53 N -3.43 3.75 1.13 0.62 0.00 -1.26 -5.12 121.76 117.44 2kcz s ALA 53 Ca -0.05 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 2kcz s ALA 53 Cb 0.14 -1.59 0.25 0.00 0.00 0.00 0.00 23.12 21.92 2kcz s ALA 53 CO 0.90 0.75 1.09 -2.14 0.00 0.00 0.00 175.76 176.37 2kcz s PRO 54 N -2.52 -0.61 0.23 0.00 0.02 -1.26 -4.93 135.00 125.94 2kcz s PRO 54 Ca 0.32 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.56 2kcz s PRO 54 Cb -0.12 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.76 2kcz s PRO 54 CO 0.25 -3.37 0.00 0.00 -0.33 0.00 0.00 177.00 173.55 2kcz n ALA 55 N -4.57 -1.22 -0.23 -1.55 0.00 -1.26 -4.14 120.51 107.55 2kcz n ALA 55 Ca 0.09 0.26 0.03 0.00 0.00 0.00 0.00 53.44 53.82 2kcz n ALA 55 Cb 0.58 -0.78 0.14 0.00 0.00 0.00 0.00 19.45 19.40 2kcz n ALA 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kcz h PRO 56 N -0.17 0.19 0.00 0.00 0.11 -2.02 -3.37 132.00 126.75 2kcz h PRO 56 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2kcz h PRO 56 Cb 0.44 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2kcz h PRO 56 CO 0.01 0.13 -0.12 1.47 -0.21 0.00 0.00 178.00 179.27 2kcz n LEU 57 N -5.21 0.00 0.00 2.35 -0.00 -1.26 -5.03 117.00 107.84 2kcz n LEU 57 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 2kcz n LEU 57 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 2kcz n LEU 57 CO 0.12 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.12 2kcz n GLY 58 N 0.33 1.08 3.10 1.47 0.00 -1.26 -4.76 105.19 105.15 2kcz n GLY 58 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2kcz n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcz s ALA 59 N 0.00 0.75 -0.13 4.61 0.00 -1.26 -5.11 121.76 120.62 2kcz s ALA 59 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 2kcz s ALA 59 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2kcz s ALA 59 CO 0.00 0.00 0.02 0.14 0.00 0.00 0.00 175.76 175.92 2kcz s VAL 60 N -1.58 4.46 0.30 0.00 -7.23 -1.26 -4.92 120.40 110.17 2kcz s VAL 60 Ca -0.06 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 2kcz s VAL 60 Cb -0.09 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.91 2kcz s VAL 60 CO 0.00 0.53 0.00 -0.24 -0.31 0.00 0.00 175.10 175.09 2kcz n SER 61 N 2.89 -2.18 0.00 4.85 2.88 -1.26 -5.01 113.62 115.79 2kcz n SER 61 Ca -0.18 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2kcz n SER 61 Cb 0.53 2.17 0.00 0.00 -0.75 0.00 0.00 64.21 66.16 2kcz n SER 61 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2kcz n TRP 62 N -3.18 0.00 -2.20 0.66 8.01 -1.26 -4.94 117.44 114.53 2kcz n TRP 62 Ca 0.00 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.92 2kcz n TRP 62 Cb 0.00 0.00 0.05 0.00 -2.01 0.00 0.00 31.31 29.35 2kcz n TRP 62 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.69 174.85 2kcz s GLU 63 N -0.05 2.67 0.01 -0.99 1.03 -1.26 -5.07 118.70 115.04 2kcz s GLU 63 Ca 0.00 0.05 0.03 0.00 0.03 0.00 0.00 54.97 55.07 2kcz s GLU 63 Cb 0.00 -2.17 -0.01 0.00 -0.80 0.00 0.00 34.13 31.15 2kcz s GLU 63 CO 0.00 -0.96 -0.08 0.00 -1.33 0.00 0.00 175.26 172.89 2kcz s ALA 64 N -3.17 0.66 0.50 -0.84 0.00 -1.25 -4.31 121.76 113.35 2kcz s ALA 64 Ca 0.57 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.11 2kcz s ALA 64 Cb -0.11 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.94 2kcz s ALA 64 CO 0.47 0.11 0.46 -2.00 0.00 0.00 0.00 175.76 174.80 2kcz s GLU 65 N -0.66 2.35 -0.15 0.00 -6.30 -1.25 -2.93 118.70 109.76 2kcz s GLU 65 Ca -0.01 -1.79 0.00 0.00 -2.50 0.00 0.00 54.97 50.68 2kcz s GLU 65 Cb -0.05 -2.28 0.02 0.00 0.00 0.00 0.00 34.13 31.82 2kcz s GLU 65 CO 0.00 -0.51 -0.14 -1.17 0.02 0.00 0.00 175.26 173.46 2kcz s LEU 66 N -4.29 1.76 0.29 2.70 2.96 -1.26 -3.03 118.68 117.81 2kcz s LEU 66 Ca 0.44 -0.53 0.17 0.00 -0.22 0.00 0.00 54.13 53.99 2kcz s LEU 66 Cb -0.03 -1.21 0.10 0.00 0.50 0.00 0.00 46.19 45.55 2kcz s LEU 66 CO 0.26 -0.06 1.40 0.00 -1.32 0.00 0.00 176.35 176.64 2kcz h THR 67 N 6.07 0.59 -3.16 3.68 1.03 -1.85 -3.45 112.91 115.82 2kcz h THR 67 Ca -0.38 -1.86 -0.25 0.00 -0.01 0.00 0.00 66.41 63.91 2kcz h THR 67 Cb 1.13 2.24 -0.32 0.00 -1.07 0.00 0.00 68.15 70.13 2kcz h THR 67 CO 0.54 0.34 -0.59 0.00 -0.01 0.00 0.00 175.52 175.80 2kcz s ALA 68 N -3.03 -0.30 -0.25 0.00 0.00 -0.78 -4.99 121.76 112.41 2kcz s ALA 68 Ca 0.04 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 2kcz s ALA 68 Cb 0.07 -0.59 0.08 0.00 0.00 0.00 0.00 23.12 22.68 2kcz s ALA 68 CO 0.74 -0.28 0.11 0.34 0.00 0.00 0.00 175.76 176.67 2kcz s ASP 69 N 1.50 3.15 -0.01 0.00 2.15 -1.26 -2.78 116.67 119.41 2kcz s ASP 69 Ca -0.06 -1.07 0.00 0.00 0.43 0.00 0.00 52.55 51.86 2kcz s ASP 69 Cb -0.12 -0.38 -0.04 0.00 -0.30 0.00 0.00 42.92 42.08 2kcz s ASP 69 CO -0.06 -0.40 0.02 -1.61 -0.17 0.00 0.00 175.17 172.95 2kcz s GLU 70 N 2.05 2.89 0.57 4.34 0.41 -1.14 -5.01 118.70 122.82 2kcz s GLU 70 Ca 0.06 -0.54 0.30 0.00 -0.41 0.00 0.00 54.97 54.38 2kcz s GLU 70 Cb -0.16 -2.74 1.72 0.00 -1.78 0.00 0.00 34.13 31.17 2kcz s GLU 70 CO -0.25 0.64 2.19 -1.35 -0.49 0.00 0.00 175.26 176.01 2kcz h PRO 71 N 4.39 0.00 0.00 0.39 0.11 -2.01 -3.37 132.00 131.52 2kcz h PRO 71 Ca -0.49 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2kcz h PRO 71 Cb 1.18 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 2kcz h PRO 71 CO 0.58 0.05 0.05 0.41 -0.21 0.00 0.00 178.00 178.88 2kcz n GLY 72 N -1.04 -1.01 2.00 -0.55 0.00 -1.26 -4.46 105.19 98.88 2kcz n GLY 72 Ca -0.02 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.16 0.00 -3.66 1.61 5.02 -1.25 -4.81 118.16 115.23 2kcz n LYS 73 Ca -0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.06 2kcz n LYS 73 Cb 0.73 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.68 2kcz n LYS 73 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2kcz s ARG 74 N -1.12 0.94 -0.23 1.97 1.70 -1.26 -0.28 118.95 120.67 2kcz s ARG 74 Ca 0.00 -0.40 0.01 0.00 -0.47 0.00 0.00 55.73 54.87 2kcz s ARG 74 Cb 0.00 0.42 0.06 0.00 -0.57 0.00 0.00 34.95 34.86 2kcz s ARG 74 CO 0.00 -0.33 -0.06 0.42 -1.08 0.00 0.00 175.30 174.25 2kcz s ILE 75 N -2.64 1.58 -0.23 4.99 -1.09 0.12 -2.87 121.20 121.06 2kcz s ILE 75 Ca -0.04 -1.20 -0.06 0.00 -2.23 0.00 0.00 60.65 57.12 2kcz s ILE 75 Cb -0.00 -1.81 -0.02 0.00 -1.58 0.00 0.00 42.46 39.05 2kcz s ILE 75 CO -0.04 -0.05 0.02 0.00 -1.23 0.00 0.00 174.94 173.64 2kcz s ALA 76 N 1.38 3.00 -0.09 9.38 0.00 -1.12 -1.16 121.76 133.15 2kcz s ALA 76 Ca -0.05 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 2kcz s ALA 76 Cb -0.18 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 2kcz s ALA 76 CO -0.06 -0.43 0.00 1.67 0.00 0.00 0.00 175.76 176.93 2kcz s TRP 77 N 1.50 3.16 0.46 0.00 1.48 -1.26 -1.86 118.94 122.42 2kcz s TRP 77 Ca 0.06 0.16 0.06 0.00 -1.06 0.00 0.00 56.10 55.32 2kcz s TRP 77 Cb -0.15 -1.81 -0.02 0.00 -1.16 0.00 0.00 33.47 30.33 2kcz s TRP 77 CO 0.01 0.43 0.23 -0.98 -4.06 0.00 0.00 176.95 172.58 2kcz s ARG 78 N -0.76 2.25 -0.02 3.25 1.70 -1.17 -4.85 118.95 119.36 2kcz s ARG 78 Ca 0.12 -1.94 0.25 0.00 -0.47 0.00 0.00 55.73 53.69 2kcz s ARG 78 Cb -0.12 -1.98 0.43 0.00 -0.57 0.00 0.00 34.95 32.71 2kcz s ARG 78 CO 0.02 -0.29 1.17 0.43 -1.08 0.00 0.00 175.30 175.56 2kcz n SER 79 N -1.40 1.07 -1.12 -2.89 7.64 -1.26 -3.84 113.62 111.82 2kcz n SER 79 Ca -0.03 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.71 2kcz n SER 79 Cb 0.65 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.36 -1.39 0.28 -3.43 4.77 -1.26 -3.89 117.00 112.43 2kcz n LEU 80 Ca 0.07 2.07 0.18 0.00 -0.03 0.00 0.00 56.01 58.30 2kcz n LEU 80 Cb 1.11 -1.90 0.95 0.00 -2.33 0.00 0.00 43.42 41.25 2kcz n LEU 80 CO -0.04 -0.30 1.15 1.55 -1.33 0.00 0.00 177.39 178.42 2kcz h PRO 81 N 0.44 0.00 -0.00 3.23 0.13 -1.94 -1.25 132.00 132.61 2kcz h PRO 81 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kcz h PRO 81 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2kcz h PRO 81 CO 0.00 0.00 -0.07 0.41 -0.23 0.00 0.00 178.00 178.11 2kcz n GLY 82 N -1.27 -0.85 0.97 1.56 0.00 -1.26 -3.81 105.19 100.53 2kcz n GLY 82 Ca -0.01 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.77 2kcz n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcz n ALA 83 N -0.84 2.37 -3.90 4.61 0.00 -0.48 -4.99 120.51 117.29 2kcz n ALA 83 Ca 0.17 -2.03 -0.30 0.00 0.00 0.00 0.00 53.44 51.28 2kcz n ALA 83 Cb 0.25 -0.59 -0.16 0.00 0.00 0.00 0.00 19.45 18.96 2kcz n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kcz s ARG 84 N -0.55 1.39 -0.10 0.00 1.81 -1.19 -4.84 118.95 115.48 2kcz s ARG 84 Ca 0.23 -1.03 -0.07 0.00 -1.72 0.00 0.00 55.73 53.15 2kcz s ARG 84 Cb 0.25 -2.52 -0.02 0.00 -0.45 0.00 0.00 34.95 32.21 2kcz s ARG 84 CO -0.09 -0.68 -0.13 0.44 -0.68 0.00 0.00 175.30 174.16 2kcz n ILE 85 N 4.69 0.95 -3.15 1.52 -5.35 -1.26 -4.99 119.36 111.78 2kcz n ILE 85 Ca -0.09 0.31 0.04 0.00 -0.27 0.00 0.00 62.75 62.74 2kcz n ILE 85 Cb 0.44 -2.10 -0.01 0.00 -1.74 0.00 0.00 39.64 36.23 2kcz n ILE 85 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2kcz s GLU 86 N -1.87 0.46 -0.25 6.28 2.12 -1.26 -5.15 118.70 119.02 2kcz s GLU 86 Ca -0.11 0.80 -0.26 0.00 0.36 0.00 0.00 54.97 55.77 2kcz s GLU 86 Cb 0.01 0.44 0.08 0.00 0.26 0.00 0.00 34.13 34.93 2kcz s GLU 86 CO 0.16 -0.52 0.80 1.21 -0.54 0.00 0.00 175.26 176.36 2kcz s ASN 87 N 2.88 -0.66 -0.17 -1.70 3.84 -1.26 -5.05 114.94 112.82 2kcz s ASN 87 Ca 0.15 1.23 -0.09 0.00 0.21 0.00 0.00 52.86 54.36 2kcz s ASN 87 Cb -0.13 1.23 0.06 0.00 -0.55 0.00 0.00 41.25 41.85 2kcz s ASN 87 CO -0.19 -0.26 0.40 -0.44 -2.79 0.00 0.00 177.10 173.83 2kcz s SER 88 N 0.19 -0.49 0.00 -4.21 0.01 -1.26 -5.06 113.70 102.87 2kcz s SER 88 Ca -0.00 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.14 2kcz s SER 88 Cb -0.05 0.79 0.00 0.00 0.21 0.00 0.00 66.02 66.98 2kcz s SER 88 CO -0.00 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2kcz n GLY 89 N 4.33 0.08 3.86 3.44 0.00 -1.26 -3.57 105.19 112.08 2kcz n GLY 89 Ca -0.23 0.72 -0.31 0.00 0.00 0.00 0.00 46.02 46.21 2kcz n GLY 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kcz s GLU 90 N 0.00 3.22 0.10 1.61 1.03 -1.26 -4.59 118.70 118.81 2kcz s GLU 90 Ca 0.00 -0.54 -0.19 0.00 0.03 0.00 0.00 54.97 54.27 2kcz s GLU 90 Cb 0.00 -2.92 -0.07 0.00 -0.80 0.00 0.00 34.13 30.34 2kcz s GLU 90 CO 0.00 0.59 0.58 0.54 -1.33 0.00 0.00 175.26 175.65 2kcz s VAL 91 N -1.46 4.73 -0.24 1.83 0.11 -0.31 -3.96 120.40 121.11 2kcz s VAL 91 Ca 0.33 1.19 -0.06 0.00 -2.93 0.00 0.00 61.98 60.51 2kcz s VAL 91 Cb -0.13 -3.88 -0.02 0.00 -1.53 0.00 0.00 36.38 30.82 2kcz s VAL 91 CO 0.26 0.49 0.02 -0.76 -3.33 0.00 0.00 175.10 171.77 2kcz s LEU 92 N -1.29 3.19 -0.48 2.54 2.01 -0.36 -0.70 118.68 123.60 2kcz s LEU 92 Ca 0.31 -0.31 -0.17 0.00 0.01 0.00 0.00 54.13 53.97 2kcz s LEU 92 Cb -0.19 -1.83 0.06 0.00 0.01 0.00 0.00 46.19 44.24 2kcz s LEU 92 CO 0.19 -0.03 0.51 -0.36 1.01 0.00 0.00 176.35 177.67 2kcz s PHE 93 N 1.55 3.14 0.02 0.29 0.40 0.61 -2.29 117.98 121.70 2kcz s PHE 93 Ca 0.06 -0.67 0.06 0.00 -0.60 0.00 0.00 56.93 55.78 2kcz s PHE 93 Cb -0.15 -3.29 -0.02 0.00 0.51 0.00 0.00 43.02 40.07 2kcz s PHE 93 CO 0.00 -0.89 -0.19 1.03 0.70 0.00 0.00 175.22 175.88 2kcz s ARG 94 N 2.16 1.36 -0.12 0.44 0.52 -1.17 -3.92 118.95 118.22 2kcz s ARG 94 Ca 0.10 -0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 54.21 2kcz s ARG 94 Cb -0.21 -1.40 -0.09 0.00 0.52 0.00 0.00 34.95 33.78 2kcz s ARG 94 CO 0.10 0.37 2.06 -2.30 0.02 0.00 0.00 175.30 175.55 2kcz n PRO 95 N 2.19 2.21 -2.03 3.54 -0.02 -1.26 -1.16 135.00 138.46 2kcz n PRO 95 Ca -0.16 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 2kcz n PRO 95 Cb 0.54 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 2kcz n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcz s ALA 96 N 6.01 3.17 0.30 3.55 0.00 0.56 -4.81 121.76 130.53 2kcz s ALA 96 Ca 0.96 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 53.84 2kcz s ALA 96 Cb -0.51 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.00 2kcz s ALA 96 CO 0.43 -0.89 1.37 -2.30 0.00 0.00 0.00 175.76 174.37 2kcz n PRO 97 N -0.12 2.16 -1.03 0.00 -0.02 -1.26 -1.87 135.00 132.86 2kcz n PRO 97 Ca 0.05 0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 62.28 2kcz n PRO 97 Cb 0.44 -2.40 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.47 0.48 2.90 -1.23 0.00 -1.26 -3.31 105.19 104.24 2kcz n GLY 98 Ca 0.08 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 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 1.02 -0.90 1.73 4.61 0.00 -0.78 -4.84 120.51 121.34 2kcz n ALA 99 Ca -0.01 0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.77 2kcz n ALA 99 Cb 0.04 -3.13 0.73 0.00 0.00 0.00 0.00 19.45 17.10 2kcz n ALA 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kcz n ARG 100 N -3.66 0.86 0.00 0.00 0.63 -1.19 -4.96 116.66 108.34 2kcz n ARG 100 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 2kcz n ARG 100 Cb 0.62 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 32.08 2kcz n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kcz n GLY 101 N 0.69 0.20 2.89 5.14 0.00 -1.26 -4.16 105.19 108.68 2kcz n GLY 101 Ca 0.19 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 0.47 -0.35 2.61 2.01 0.99 -0.32 115.64 121.05 2kcz s THR 102 Ca 0.00 -0.10 -0.13 0.00 0.31 0.00 0.00 61.69 61.77 2kcz s THR 102 Cb 0.00 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 2kcz s THR 102 CO 0.00 0.20 0.24 -0.70 -0.69 0.00 0.00 174.62 173.67 2kcz s GLU 103 N 0.84 3.32 -0.13 4.92 2.12 -0.31 -0.40 118.70 129.05 2kcz s GLU 103 Ca -0.11 -0.76 -0.21 0.00 0.36 0.00 0.00 54.97 54.25 2kcz s GLU 103 Cb -0.14 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 2kcz s GLU 103 CO -0.00 -0.52 0.62 0.14 -0.54 0.00 0.00 175.26 174.96 2kcz s VAL 104 N 1.69 5.07 -0.16 3.70 -7.23 -0.52 -3.06 120.40 119.88 2kcz s VAL 104 Ca 0.05 1.24 0.01 0.00 -1.81 0.00 0.00 61.98 61.47 2kcz s VAL 104 Cb -0.18 -3.95 0.02 0.00 0.56 0.00 0.00 36.38 32.83 2kcz s VAL 104 CO 0.10 0.21 -0.15 0.68 -0.31 0.00 0.00 175.10 175.62 2kcz s VAL 105 N 1.23 1.72 -0.17 1.32 -7.23 -0.97 -2.47 120.40 113.82 2kcz s VAL 105 Ca 0.31 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.73 2kcz s VAL 105 Cb -0.16 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.18 2kcz s VAL 105 CO 0.13 0.45 -0.20 0.68 -0.31 0.00 0.00 175.10 175.85 2kcz s VAL 106 N 1.42 2.09 -0.31 1.32 -7.23 -1.21 -1.22 120.40 115.26 2kcz s VAL 106 Ca 0.04 -0.94 -0.03 0.00 -1.81 0.00 0.00 61.98 59.24 2kcz s VAL 106 Cb -0.13 -1.86 0.05 0.00 0.56 0.00 0.00 36.38 35.00 2kcz s VAL 106 CO -0.11 0.54 0.02 0.00 -0.31 0.00 0.00 175.10 175.24 2kcz s ARG 107 N 1.15 2.46 0.02 4.82 1.04 -1.25 -3.10 118.95 124.08 2kcz s ARG 107 Ca 0.01 -1.26 -0.02 0.00 -1.04 0.00 0.00 55.73 53.43 2kcz s ARG 107 Cb -0.14 -3.23 -0.02 0.00 -2.04 0.00 0.00 34.95 29.52 2kcz s ARG 107 CO -0.10 -0.63 0.01 -0.48 -0.04 0.00 0.00 175.30 174.06 2kcz s LEU 108 N 1.28 2.11 -0.16 -1.89 0.05 -0.49 -4.05 118.68 115.53 2kcz s LEU 108 Ca -0.05 -0.50 -0.10 0.00 0.05 0.00 0.00 54.13 53.53 2kcz s LEU 108 Cb -0.20 0.25 -0.05 0.00 -2.05 0.00 0.00 46.19 44.15 2kcz s LEU 108 CO -0.00 -0.36 0.18 0.28 -0.55 0.00 0.00 176.35 175.90 2kcz s THR 109 N -1.79 5.39 0.35 5.48 -1.32 -1.23 -0.12 115.64 122.40 2kcz s THR 109 Ca -0.13 0.31 -0.05 0.00 -1.21 0.00 0.00 61.69 60.61 2kcz s THR 109 Cb -0.07 -3.50 0.02 0.00 -1.51 0.00 0.00 72.50 67.44 2kcz s THR 109 CO -0.02 0.48 0.55 -1.22 -2.21 0.00 0.00 174.62 172.21 2kcz n TYR 110 N 3.05 -1.67 -4.40 9.09 4.01 0.74 -4.78 117.16 123.21 2kcz n TYR 110 Ca -0.16 -2.16 -0.27 0.00 -0.16 0.00 0.00 57.90 55.15 2kcz n TYR 110 Cb 0.53 0.63 -0.13 0.00 -0.31 0.00 0.00 39.34 40.06 2kcz n TYR 110 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kcz s ARG 111 N -2.59 1.33 0.70 -0.72 0.52 -1.26 -3.04 118.95 113.88 2kcz s ARG 111 Ca 0.25 -1.25 -0.16 0.00 -0.52 0.00 0.00 55.73 54.05 2kcz s ARG 111 Cb -0.02 -1.71 0.02 0.00 0.52 0.00 0.00 34.95 33.76 2kcz s ARG 111 CO 0.18 0.41 1.24 -1.25 0.02 0.00 0.00 175.30 175.90 2kcz s PRO 112 N -1.92 2.29 0.05 3.54 0.04 -1.26 -4.96 135.00 132.78 2kcz s PRO 112 Ca 0.11 1.89 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 2kcz s PRO 112 Cb -0.10 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.44 2kcz s PRO 112 CO 0.05 -1.76 1.51 -1.35 0.04 0.00 0.00 177.00 175.49 2kcz h PRO 113 N 0.04 -0.26 0.00 0.56 0.11 -2.07 -3.47 132.00 126.91 2kcz h PRO 113 Ca -0.49 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kcz h PRO 113 Cb 1.31 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2kcz h PRO 113 CO 0.51 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.66 2kcz n GLY 114 N -0.74 2.84 3.56 -0.55 0.00 -1.26 -4.99 105.19 104.05 2kcz n GLY 114 Ca -0.09 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.21 0.92 0.08 -0.02 0.00 -1.26 -4.84 105.19 99.85 2kcz n GLY 115 Ca 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 46.02 46.80 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 12.51 0.04 -0.33 1.61 0.02 -2.04 -3.38 113.55 121.97 2kcz h SER 116 Ca -0.37 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 2kcz h SER 116 Cb 1.28 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 2kcz h SER 116 CO 0.98 1.05 -0.01 0.00 -1.14 0.00 0.00 176.83 177.71 2kcz h ALA 117 N 0.95 1.18 0.00 3.77 0.00 -2.03 -2.73 119.26 120.40 2kcz h ALA 117 Ca -0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kcz h ALA 117 Cb 1.94 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 2kcz h ALA 117 CO 0.10 0.53 -0.00 0.78 0.00 0.00 0.00 179.25 180.66 2kcz h GLY 118 N 0.94 0.00 0.91 0.00 0.00 -1.99 -2.70 103.07 100.24 2kcz h GLY 118 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 2kcz h GLY 118 CO 0.02 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.67 2kcz h ALA 119 N 2.00 0.34 0.00 3.60 0.00 -1.73 -2.11 119.26 121.36 2kcz h ALA 119 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2kcz h ALA 119 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kcz h ALA 119 CO 0.00 -0.07 -0.28 -0.39 0.00 0.00 0.00 179.25 178.51 2kcz h VAL 120 N 0.28 0.58 -0.07 0.00 -1.51 -1.65 -3.00 116.25 110.88 2kcz h VAL 120 Ca 0.09 -1.44 -0.16 0.00 -1.23 0.00 0.00 66.70 63.96 2kcz h VAL 120 Cb 0.17 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 2kcz h VAL 120 CO -0.01 0.28 -0.66 0.40 -1.23 0.00 0.00 177.57 176.35 2kcz h ILE 121 N 0.00 1.39 0.00 7.19 2.04 -1.36 -2.96 117.51 123.81 2kcz h ILE 121 Ca -0.00 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.77 2kcz h ILE 121 Cb 0.97 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 2kcz h ILE 121 CO 0.04 0.62 -0.03 0.00 0.00 0.00 0.00 178.15 178.78 2kcz h ALA 122 N 1.10 1.22 0.00 1.87 0.00 -1.24 -1.35 119.26 120.86 2kcz h ALA 122 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kcz h ALA 122 Cb 1.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kcz h ALA 122 CO 0.11 0.03 -0.13 -0.09 0.00 0.00 0.00 179.25 179.17 2kcz h ARG 123 N 0.00 0.00 0.00 0.00 2.43 -1.62 -2.08 114.38 113.11 2kcz h ARG 123 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2kcz h ARG 123 Cb 0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2kcz h ARG 123 CO 0.00 0.13 -0.39 1.98 -1.51 0.00 0.00 179.97 180.18 2kcz h MET 124 N 0.00 0.00 0.00 0.20 4.05 -1.41 -3.46 114.93 114.31 2kcz h MET 124 Ca -0.00 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.21 2kcz h MET 124 Cb 0.29 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.11 2kcz h MET 124 CO 0.02 0.39 -0.01 1.19 0.23 0.00 0.00 176.91 178.73 2kcz n PHE 125 N -3.62 -2.80 -2.36 1.39 3.72 -0.78 -5.08 117.46 107.93 2kcz n PHE 125 Ca -0.01 -0.89 -0.34 0.00 -0.05 0.00 0.00 57.45 56.17 2kcz n PHE 125 Cb 0.50 -0.26 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 2kcz n PHE 125 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2kcz s ASN 126 N -2.61 6.13 -0.27 4.37 0.01 -1.26 -5.03 114.94 116.28 2kcz s ASN 126 Ca 0.27 1.89 -0.07 0.00 -0.71 0.00 0.00 52.86 54.24 2kcz s ASN 126 Cb -0.02 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 2kcz s ASN 126 CO 0.17 -0.93 0.07 -1.10 -1.51 0.00 0.00 177.10 173.80 2kcz s GLN 127 N -3.54 3.36 -0.71 -0.60 -1.52 -1.26 -5.01 119.66 110.38 2kcz s GLN 127 Ca 0.66 -0.67 -0.04 0.00 -1.95 0.00 0.00 55.36 53.36 2kcz s GLN 127 Cb -0.16 -3.33 0.18 0.00 -0.22 0.00 0.00 33.01 29.48 2kcz s GLN 127 CO 0.26 -0.31 0.56 -1.21 -0.25 0.00 0.00 175.29 174.34 2kcz s GLU 128 N 1.55 2.87 -0.13 2.91 0.41 -1.26 -5.07 118.70 119.99 2kcz s GLU 128 Ca 0.05 -2.68 -0.40 0.00 -0.41 0.00 0.00 54.97 51.52 2kcz s GLU 128 Cb -0.16 -3.88 -0.18 0.00 -1.78 0.00 0.00 34.13 28.13 2kcz s GLU 128 CO 0.03 -1.21 1.43 -2.30 -0.49 0.00 0.00 175.26 172.71 2kcz n PRO 129 N 3.31 0.68 -1.64 0.39 -0.02 -1.26 -4.78 135.00 131.68 2kcz n PRO 129 Ca 0.12 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.47 2kcz n PRO 129 Cb 0.39 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 2kcz n PRO 129 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2kcz s SER 130 N 1.59 4.67 0.02 2.55 0.01 -1.26 -4.77 113.70 116.51 2kcz s SER 130 Ca 0.93 1.04 0.28 0.00 1.31 0.00 0.00 55.95 59.51 2kcz s SER 130 Cb -1.15 -2.51 0.99 0.00 0.21 0.00 0.00 66.02 63.56 2kcz s SER 130 CO 0.60 -2.71 1.76 0.00 0.41 0.00 0.00 173.24 173.31 2kcz n GLN 131 N 9.00 0.03 -4.43 12.44 10.64 -1.26 -4.89 117.38 138.92 2kcz n GLN 131 Ca 0.33 0.02 -0.23 0.00 -1.83 0.00 0.00 57.00 55.29 2kcz n GLN 131 Cb 0.53 -1.53 -0.08 0.00 -0.86 0.00 0.00 30.24 28.30 2kcz n GLN 131 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2kcz s GLN 132 N -3.01 1.83 -0.02 2.61 0.74 -1.26 -5.09 119.66 115.45 2kcz s GLN 132 Ca 0.13 -2.10 -0.14 0.00 0.05 0.00 0.00 55.36 53.31 2kcz s GLN 132 Cb 0.18 -0.29 -0.07 0.00 1.10 0.00 0.00 33.01 33.92 2kcz s GLN 132 CO 0.59 -0.52 0.64 1.25 -0.55 0.00 0.00 175.29 176.69 2kcz h LEU 133 N 1.94 -0.41 -8.68 3.68 6.46 -1.99 -3.41 115.31 112.90 2kcz h LEU 133 Ca -0.32 0.01 -0.61 0.00 -0.12 0.00 0.00 57.88 56.84 2kcz h LEU 133 Cb 1.26 0.11 -0.11 0.00 -0.73 0.00 0.00 40.66 41.19 2kcz h LEU 133 CO 0.51 -0.06 0.53 -0.60 -0.62 0.00 0.00 178.44 178.19 2kcz s ARG 134 N -3.19 3.54 0.25 1.25 3.52 -1.26 -4.90 118.95 118.15 2kcz s ARG 134 Ca -0.07 0.14 -0.06 0.00 -0.13 0.00 0.00 55.73 55.61 2kcz s ARG 134 Cb 0.01 -3.91 0.26 0.00 -1.56 0.00 0.00 34.95 29.75 2kcz s ARG 134 CO 0.21 -1.16 1.87 0.38 -0.81 0.00 0.00 175.30 175.79 2kcz h ASP 135 N 8.99 1.08 -0.45 -2.12 2.03 -2.00 -0.89 116.42 123.07 2kcz h ASP 135 Ca -0.24 -0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 55.96 2kcz h ASP 135 Cb 1.08 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 39.28 2kcz h ASP 135 CO 1.00 0.86 0.25 -0.78 -1.03 0.00 0.00 179.24 179.55 2kcz h ASP 136 N 1.21 0.57 0.52 4.15 3.58 -1.98 0.22 116.42 124.69 2kcz h ASP 136 Ca 0.30 -0.04 -0.27 0.00 0.42 0.00 0.00 57.03 57.44 2kcz h ASP 136 Cb 0.02 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 40.94 2kcz h ASP 136 CO -0.05 0.47 -1.21 0.25 -2.88 0.00 0.00 179.24 175.82 2kcz h LEU 137 N 0.65 0.51 -0.85 2.28 5.85 -1.70 -1.98 115.31 120.08 2kcz h LEU 137 Ca 0.17 -0.51 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 2kcz h LEU 137 Cb 0.02 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2kcz h LEU 137 CO -0.03 1.38 -0.10 -0.03 -0.34 0.00 0.00 178.44 179.32 2kcz h MET 138 N 0.12 0.75 0.05 1.25 4.05 -0.95 -2.86 114.93 117.34 2kcz h MET 138 Ca -0.14 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.04 2kcz h MET 138 Cb 1.92 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.65 2kcz h MET 138 CO 0.21 0.83 -0.03 -0.09 0.23 0.00 0.00 176.91 178.06 2kcz h ARG 139 N 0.68 -0.07 0.00 0.39 2.43 -0.81 -2.93 114.38 114.07 2kcz h ARG 139 Ca 0.12 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2kcz h ARG 139 Cb 0.57 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2kcz h ARG 139 CO 0.04 0.39 -0.30 0.27 -1.51 0.00 0.00 179.97 178.86 2kcz h PHE 140 N -0.56 0.00 -0.80 2.20 -0.00 -1.43 -0.86 116.94 115.48 2kcz h PHE 140 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 58.02 2kcz h PHE 140 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.39 2kcz h PHE 140 CO 0.09 0.30 0.49 -0.22 -0.00 0.00 0.00 178.31 178.97 2kcz h LYS 141 N 0.00 0.87 -0.07 6.09 3.11 -1.50 -1.03 116.57 124.03 2kcz h LYS 141 Ca -0.00 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.82 2kcz h LYS 141 Cb 0.55 -0.20 -0.04 0.00 -1.00 0.00 0.00 32.23 31.54 2kcz h LYS 141 CO 0.04 0.57 -0.16 0.00 -2.81 0.00 0.00 179.45 177.09 2kcz h ARG 142 N 0.89 -0.22 -0.54 1.90 2.47 -0.96 -2.96 114.38 114.96 2kcz h ARG 142 Ca 0.35 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.99 2kcz h ARG 142 Cb 0.17 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 2kcz h ARG 142 CO -0.17 -0.15 -0.04 0.93 0.56 0.00 0.00 179.97 181.10 2kcz h GLU 143 N -0.23 0.99 0.00 0.04 4.39 -1.23 -0.25 114.58 118.29 2kcz h GLU 143 Ca 0.08 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2kcz h GLU 143 Cb 0.34 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2kcz h GLU 143 CO -0.21 1.01 0.00 -0.56 -1.16 0.00 0.00 179.01 178.09 2kcz h GLN 144 N 0.86 0.00 -0.01 2.33 3.07 -1.14 -2.61 115.11 117.61 2kcz h GLN 144 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 2kcz h GLN 144 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.15 2kcz h GLN 144 CO 0.04 0.00 -0.21 -0.85 0.09 0.00 0.00 178.83 177.90 2kcz n GLU 145 N -2.66 1.98 0.16 0.06 0.28 -1.13 -4.66 120.64 114.67 2kcz n GLU 145 Ca 0.03 -0.64 -0.14 0.00 -0.16 0.00 0.00 57.16 56.24 2kcz n GLU 145 Cb 0.35 -1.10 -0.08 0.00 1.43 0.00 0.00 31.44 32.04 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 1.21 -0.30 -8.49 -1.84 5.85 -0.63 -3.40 115.31 107.72 2kcz h LEU 146 Ca 0.00 -0.05 -0.66 0.00 0.84 0.00 0.00 57.88 58.01 2kcz h LEU 146 Cb 0.36 0.08 -0.26 0.00 0.37 0.00 0.00 40.66 41.21 2kcz h LEU 146 CO 0.00 -0.14 -0.67 -0.83 -0.34 0.00 0.00 178.44 176.46 2kcz s GLY 147 N -2.30 1.69 -0.09 3.75 0.00 -1.25 -4.97 107.32 104.15 2kcz s GLY 147 Ca -0.15 -1.20 -0.15 0.00 0.00 0.00 0.00 44.72 43.23 2kcz s GLY 147 CO 0.63 0.50 0.60 1.41 0.00 0.00 0.00 173.10 176.24 2kcz h LEU 148 N 8.17 0.45 0.00 0.66 3.38 -1.89 -3.48 115.31 122.60 2kcz h LEU 148 Ca -0.39 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 56.70 2kcz h LEU 148 Cb 1.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2kcz h LEU 148 CO 0.59 1.66 0.00 -0.62 0.09 0.00 0.00 178.44 180.17 2kcz n GLU 149 N -3.83 0.00 -3.99 1.13 -0.58 -1.26 -4.63 120.64 107.48 2kcz n GLU 149 Ca -0.25 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.36 2kcz n GLU 149 Cb 0.95 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.68 2kcz n GLU 149 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kcz s HIS 150 N 0.00 0.20 -0.25 -0.32 3.76 -1.26 -5.12 115.29 112.30 2kcz s HIS 150 Ca 0.00 -0.06 -0.09 0.00 -0.15 0.00 0.00 55.06 54.77 2kcz s HIS 150 Cb 0.00 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.52 2kcz s HIS 150 CO 0.00 -0.01 0.11 -1.01 -0.85 0.00 0.00 174.74 172.98 2kcz s HIS 151 N -0.11 3.15 -1.21 1.40 3.76 -1.26 -5.01 115.29 116.01 2kcz s HIS 151 Ca 0.00 -0.17 -0.17 0.00 -0.15 0.00 0.00 55.06 54.57 2kcz s HIS 151 Cb -0.01 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 2kcz s HIS 151 CO -0.00 -0.22 2.07 0.72 -0.85 0.00 0.00 174.74 176.46 2kcz n HIS 152 N 4.78 3.10 -4.25 1.40 8.25 -1.26 -4.88 115.22 122.35 2kcz n HIS 152 Ca -0.15 -2.52 0.00 0.00 -0.26 0.00 0.00 57.72 54.79 2kcz n HIS 152 Cb 0.52 -2.31 0.00 0.00 1.12 0.00 0.00 29.99 29.32 2kcz n HIS 152 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kcz n HIS 153 N 7.22 0.00 0.00 4.41 8.25 -1.26 -4.83 115.22 129.01 2kcz n HIS 153 Ca 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 2kcz n HIS 153 Cb 0.41 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2kcz n HIS 153 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kcz n HIS 154 N 8.95 0.00 -0.48 4.41 8.25 -1.26 -5.12 115.22 129.96 2kcz n HIS 154 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kcz n HIS 154 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2kcz n HIS 154 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59