#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 1.54 3.65 3.03 0.00 -1.26 -4.85 105.19 107.31 2kcz n GLY 2 Ca 0.00 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2kcz n GLY 2 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kcz s GLU 3 N 0.00 4.21 -0.11 1.61 2.12 -1.26 -3.65 118.70 121.61 2kcz s GLU 3 Ca 0.00 1.07 -0.04 0.00 0.36 0.00 0.00 54.97 56.35 2kcz s GLU 3 Cb 0.00 -3.64 0.06 0.00 0.26 0.00 0.00 34.13 30.80 2kcz s GLU 3 CO 0.00 -0.55 0.22 0.99 -0.54 0.00 0.00 175.26 175.39 2kcz s THR 4 N 2.94 -0.32 -0.68 -1.70 2.01 0.16 -5.00 115.64 113.06 2kcz s THR 4 Ca 0.38 0.29 -0.21 0.00 0.31 0.00 0.00 61.69 62.45 2kcz s THR 4 Cb -0.15 -0.38 0.08 0.00 0.01 0.00 0.00 72.50 72.06 2kcz s THR 4 CO 0.07 0.12 0.93 0.54 -0.69 0.00 0.00 174.62 175.59 2kcz s VAL 5 N 2.22 4.48 0.04 3.82 0.11 -1.26 -3.27 120.40 126.54 2kcz s VAL 5 Ca 0.00 -0.64 -0.25 0.00 -2.93 0.00 0.00 61.98 58.16 2kcz s VAL 5 Cb -0.12 -4.65 -0.05 0.00 -1.53 0.00 0.00 36.38 30.02 2kcz s VAL 5 CO -0.08 -1.39 0.77 0.68 -3.33 0.00 0.00 175.10 171.75 2kcz s VAL 6 N 3.60 4.75 -0.03 2.04 -7.23 -1.03 -4.90 120.40 117.60 2kcz s VAL 6 Ca 0.21 1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 62.00 2kcz s VAL 6 Cb -0.17 -4.12 0.03 0.00 0.56 0.00 0.00 36.38 32.68 2kcz s VAL 6 CO 0.07 0.35 0.07 0.00 -0.31 0.00 0.00 175.10 175.28 2kcz s ARG 7 N 0.01 0.02 0.04 4.82 1.70 -1.26 -0.26 118.95 124.03 2kcz s ARG 7 Ca 0.39 0.22 -0.06 0.00 -0.47 0.00 0.00 55.73 55.81 2kcz s ARG 7 Cb -0.20 -0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 34.00 2kcz s ARG 7 CO 0.23 -0.13 0.10 0.34 -1.08 0.00 0.00 175.30 174.76 2kcz s ASP 8 N 0.88 0.19 0.01 -2.89 2.15 -1.17 -4.99 116.67 110.85 2kcz s ASP 8 Ca -0.07 -0.57 0.04 0.00 0.43 0.00 0.00 52.55 52.38 2kcz s ASP 8 Cb -0.10 0.24 -0.02 0.00 -0.30 0.00 0.00 42.92 42.75 2kcz s ASP 8 CO -0.03 -0.54 -0.13 0.00 -0.17 0.00 0.00 175.17 174.30 2kcz s ALA 9 N -2.82 1.08 -0.04 3.66 0.00 -1.26 -2.20 121.76 120.19 2kcz s ALA 9 Ca -0.03 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.31 2kcz s ALA 9 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 2kcz s ALA 9 CO -0.06 0.23 -0.21 0.14 0.00 0.00 0.00 175.76 175.87 2kcz s VAL 10 N -0.57 1.70 -0.29 0.00 -7.23 -0.84 -4.94 120.40 108.22 2kcz s VAL 10 Ca 0.03 -0.89 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 2kcz s VAL 10 Cb -0.06 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2kcz s VAL 10 CO 0.00 0.48 0.39 -0.89 -0.31 0.00 0.00 175.10 174.78 2kcz s THR 11 N -0.24 5.15 -0.02 5.32 2.01 -1.26 -1.52 115.64 125.07 2kcz s THR 11 Ca 0.01 0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.54 2kcz s THR 11 Cb -0.11 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2kcz s THR 11 CO 0.01 0.06 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.15 2kcz s ILE 12 N 2.11 1.80 -0.47 1.82 1.09 -0.34 -4.96 121.20 122.25 2kcz s ILE 12 Ca 0.15 -0.97 -0.07 0.00 -1.10 0.00 0.00 60.65 58.67 2kcz s ILE 12 Cb -0.16 -1.50 -0.19 0.00 -1.06 0.00 0.00 42.46 39.55 2kcz s ILE 12 CO 0.11 0.51 3.15 0.61 -0.10 0.00 0.00 174.94 179.22 2kcz n GLY 13 N 2.60 3.19 3.28 6.18 0.00 -1.26 -1.41 105.19 117.76 2kcz n GLY 13 Ca -0.16 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 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 1.59 1.50 0.10 1.61 3.01 -1.26 -4.95 119.74 121.34 2kcz s LYS 14 Ca 0.61 -0.99 -0.33 0.00 -1.01 0.00 0.00 55.97 54.25 2kcz s LYS 14 Cb 0.25 -1.63 -0.14 0.00 -1.01 0.00 0.00 37.83 35.30 2kcz s LYS 14 CO -0.02 0.42 1.58 -1.00 0.51 0.00 0.00 175.35 176.84 2kcz h PRO 15 N 4.84 -0.81 0.00 -1.68 0.13 -1.96 -3.33 132.00 129.19 2kcz h PRO 15 Ca -0.44 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kcz h PRO 15 Cb 1.16 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2kcz h PRO 15 CO 0.44 -0.54 0.00 0.00 -0.23 0.00 0.00 178.00 177.67 2kcz n ALA 16 N -2.78 0.00 -0.18 -0.56 0.00 -1.26 -4.78 120.51 110.94 2kcz n ALA 16 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 2kcz n ALA 16 Cb 0.41 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.93 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 0.04 0.00 0.00 4.81 -1.81 -0.90 114.58 116.72 2kcz h GLU 17 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2kcz h GLU 17 Cb 0.00 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2kcz h GLU 17 CO 0.00 0.03 -0.03 0.37 -0.73 0.00 0.00 179.01 178.65 2kcz h GLN 18 N 0.04 0.00 -0.17 1.92 4.15 -1.95 -3.00 115.11 116.11 2kcz h GLN 18 Ca 0.28 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.60 2kcz h GLN 18 Cb 0.43 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2kcz h GLN 18 CO -0.54 0.03 -0.31 -0.07 -1.93 0.00 0.00 178.83 176.01 2kcz h LEU 19 N 0.00 0.33 -0.91 -2.39 3.38 -1.53 -1.98 115.31 112.21 2kcz h LEU 19 Ca -0.00 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2kcz h LEU 19 Cb 0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2kcz h LEU 19 CO 0.00 0.63 -0.26 0.22 0.09 0.00 0.00 178.44 179.13 2kcz h TYR 20 N 0.29 0.00 0.00 1.13 3.20 -1.60 -3.03 116.97 116.96 2kcz h TYR 20 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2kcz h TYR 20 Cb 0.69 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2kcz h TYR 20 CO 0.02 0.26 0.00 0.00 -1.64 0.00 0.00 178.16 176.79 2kcz n ALA 21 N -2.22 2.29 0.30 1.82 0.00 -0.75 -3.55 120.51 118.41 2kcz n ALA 21 Ca 0.01 -0.13 0.18 0.00 0.00 0.00 0.00 53.44 53.50 2kcz n ALA 21 Cb 0.48 -1.39 0.95 0.00 0.00 0.00 0.00 19.45 19.49 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 0.10 -1.16 0.00 3.04 -1.58 -2.98 116.25 113.67 2kcz h VAL 22 Ca 0.00 0.00 0.33 0.00 -1.01 0.00 0.00 66.70 66.02 2kcz h VAL 22 Cb 0.14 0.81 -0.06 0.00 -2.01 0.00 0.00 31.29 30.17 2kcz h VAL 22 CO 0.00 0.00 0.82 -0.50 -1.01 0.00 0.00 177.57 176.88 2kcz h TRP 23 N 0.00 0.11 0.00 3.17 4.06 -1.85 -3.37 115.95 118.07 2kcz h TRP 23 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2kcz h TRP 23 Cb 0.43 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 2kcz h TRP 23 CO 0.00 0.01 0.00 0.54 -3.56 0.00 0.00 178.44 175.43 2kcz n ARG 24 N -4.26 0.00 -2.13 0.49 5.12 -1.16 -4.98 116.66 109.74 2kcz n ARG 24 Ca 0.26 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 56.16 2kcz n ARG 24 Cb 1.19 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 32.53 2kcz n ARG 24 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kcz n ASP 25 N -0.48 -0.07 -1.07 0.55 2.03 -1.26 -4.36 116.55 111.89 2kcz n ASP 25 Ca 0.00 -2.08 0.13 0.00 0.52 0.00 0.00 54.79 53.37 2kcz n ASP 25 Cb 0.00 0.10 -0.06 0.00 -0.72 0.00 0.00 41.12 40.44 2kcz n ASP 25 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kcz n LEU 26 N -0.57 -0.71 -4.57 -2.67 4.32 -1.14 -3.99 117.00 107.69 2kcz n LEU 26 Ca -0.09 1.64 -0.39 0.00 -0.02 0.00 0.00 56.01 57.15 2kcz n LEU 26 Cb 0.87 -2.91 -0.03 0.00 -1.62 0.00 0.00 43.42 39.73 2kcz n LEU 26 CO -0.07 -1.94 1.96 -2.65 -1.22 0.00 0.00 177.39 173.48 2kcz n PRO 27 N -3.80 1.39 0.00 3.23 -0.02 -1.25 -3.00 135.00 131.56 2kcz n PRO 27 Ca -0.05 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2kcz n PRO 27 Cb 0.51 -3.35 0.00 0.00 -0.02 0.00 0.00 33.50 30.64 2kcz n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcz n GLY 28 N 5.93 1.96 1.37 -1.23 0.00 -1.23 -5.06 105.19 106.93 2kcz n GLY 28 Ca 0.35 -0.18 0.17 0.00 0.00 0.00 0.00 46.02 46.36 2kcz n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcz n LEU 29 N 0.00 -0.86 0.00 0.99 7.99 -1.16 -3.78 117.00 120.18 2kcz n LEU 29 Ca 0.00 1.98 0.00 0.00 -0.01 0.00 0.00 56.01 57.98 2kcz n LEU 29 Cb 0.00 -4.13 0.00 0.00 -0.11 0.00 0.00 43.42 39.18 2kcz n LEU 29 CO 0.00 -2.69 0.02 -2.65 -1.51 0.00 0.00 177.39 170.55 2kcz n PRO 30 N -4.22 0.00 -2.57 3.23 -0.02 -1.26 -4.72 135.00 125.43 2kcz n PRO 30 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.31 2kcz n PRO 30 Cb 0.64 -1.03 0.01 0.00 -0.02 0.00 0.00 33.50 33.10 2kcz n PRO 30 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kcz n LEU 31 N -0.50 -2.03 -4.57 2.45 4.32 -1.25 -4.91 117.00 110.52 2kcz n LEU 31 Ca 0.00 -0.13 -0.28 0.00 -0.02 0.00 0.00 56.01 55.58 2kcz n LEU 31 Cb 0.00 -1.93 -0.05 0.00 -1.62 0.00 0.00 43.42 39.82 2kcz n LEU 31 CO 0.00 0.07 1.40 -1.48 -1.22 0.00 0.00 177.39 176.16 2kcz s LEU 32 N -3.91 3.17 -0.81 2.23 0.05 -1.26 -4.11 118.68 114.04 2kcz s LEU 32 Ca 0.13 -1.01 0.00 0.00 0.05 0.00 0.00 54.13 53.30 2kcz s LEU 32 Cb -0.06 -2.57 0.00 0.00 -2.05 0.00 0.00 46.19 41.51 2kcz s LEU 32 CO 0.16 -2.74 0.00 1.15 -0.55 0.00 0.00 176.35 174.37 2kcz n MET 33 N 8.70 -2.04 -4.30 1.48 0.00 -1.26 -4.91 117.12 114.78 2kcz n MET 33 Ca 0.41 0.46 -0.33 0.00 0.00 0.00 0.00 57.70 58.23 2kcz n MET 33 Cb 0.47 -4.89 -0.16 0.00 0.00 0.00 0.00 33.22 28.64 2kcz n MET 33 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2kcz s THR 34 N -2.21 2.43 0.00 3.17 -1.32 -1.26 -4.90 115.64 111.55 2kcz s THR 34 Ca 0.00 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 2kcz s THR 34 Cb 0.00 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 2kcz s THR 34 CO 0.00 0.52 0.96 1.41 -2.21 0.00 0.00 174.62 175.29 2kcz n HIS 35 N 4.39 0.00 1.20 9.09 8.25 -1.26 -4.84 115.22 132.05 2kcz n HIS 35 Ca -0.20 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.33 2kcz n HIS 35 Cb 0.51 -0.03 0.25 0.00 1.12 0.00 0.00 29.99 31.84 2kcz n HIS 35 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2kcz n LEU 36 N 0.00 1.47 0.00 2.41 7.94 -1.26 -4.88 117.00 122.68 2kcz n LEU 36 Ca 0.00 -0.69 0.00 0.00 -1.11 0.00 0.00 56.01 54.21 2kcz n LEU 36 Cb 0.68 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2kcz n LEU 36 CO 0.00 0.34 0.00 -1.14 -1.11 0.00 0.00 177.39 175.48 2kcz n ARG 37 N 0.25 0.00 -2.11 1.96 0.63 -1.26 -4.93 116.66 111.20 2kcz n ARG 37 Ca 0.12 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.71 2kcz n ARG 37 Cb 0.26 -1.67 -0.04 0.00 0.45 0.00 0.00 32.46 31.46 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 -1.49 5.36 -0.06 6.15 0.01 -1.26 -4.70 113.70 117.71 2kcz s SER 38 Ca 0.00 -0.19 0.20 0.00 1.31 0.00 0.00 55.95 57.27 2kcz s SER 38 Cb 0.00 -2.54 0.38 0.00 0.21 0.00 0.00 66.02 64.07 2kcz s SER 38 CO 0.00 -2.42 1.17 1.33 0.41 0.00 0.00 173.24 173.73 2kcz n VAL 39 N 7.36 0.61 -3.47 3.43 0.24 -1.26 -4.95 118.33 120.29 2kcz n VAL 39 Ca 0.27 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 2kcz n VAL 39 Cb 0.50 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 2kcz n VAL 39 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2kcz n GLU 40 N -0.01 1.92 -1.71 7.34 0.00 -1.26 -3.49 120.64 123.43 2kcz n GLU 40 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.86 2kcz n GLU 40 Cb 0.98 0.00 0.04 0.00 0.00 0.00 0.00 31.44 32.46 2kcz n GLU 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2kcz n VAL 41 N 0.00 3.61 -0.21 3.84 0.31 -1.26 -4.90 118.33 119.72 2kcz n VAL 41 Ca 0.00 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2kcz n VAL 41 Cb 0.00 -1.52 0.11 0.00 -0.91 0.00 0.00 33.84 31.52 2kcz n VAL 41 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2kcz h LEU 42 N 1.32 0.29 -7.73 7.52 5.85 -1.68 -3.45 115.31 117.43 2kcz h LEU 42 Ca -0.50 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 2kcz h LEU 42 Cb 1.32 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.26 2kcz h LEU 42 CO 0.56 0.17 -0.14 -0.62 -0.34 0.00 0.00 178.44 178.07 2kcz s ASP 43 N -5.42 -0.13 0.03 1.25 -1.08 -1.26 -5.06 116.67 105.01 2kcz s ASP 43 Ca -0.13 -0.56 0.24 0.00 -0.52 0.00 0.00 52.55 51.58 2kcz s ASP 43 Cb 0.17 0.48 0.25 0.00 -1.46 0.00 0.00 42.92 42.36 2kcz s ASP 43 CO 0.75 -0.92 1.22 -0.90 0.52 0.00 0.00 175.17 175.84 2kcz n ASP 44 N -0.24 0.62 -0.74 -0.34 5.75 -1.26 -3.55 116.55 116.79 2kcz n ASP 44 Ca -0.11 -0.26 0.11 0.00 -0.01 0.00 0.00 54.79 54.51 2kcz n ASP 44 Cb 0.63 0.50 0.32 0.00 -1.03 0.00 0.00 41.12 41.54 2kcz n ASP 44 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kcz n LYS 45 N -1.75 1.97 -3.21 0.11 4.76 -1.26 -4.81 118.16 113.98 2kcz n LYS 45 Ca 0.04 -1.46 -0.09 0.00 -2.87 0.00 0.00 58.31 53.93 2kcz n LYS 45 Cb 0.38 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 32.13 2kcz n LYS 45 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2kcz n ARG 46 N 0.69 0.62 0.00 1.97 1.85 -1.23 -1.33 116.66 119.22 2kcz n ARG 46 Ca 0.17 -1.89 0.00 0.00 -1.00 0.00 0.00 57.85 55.13 2kcz n ARG 46 Cb 0.42 1.98 0.00 0.00 -1.05 0.00 0.00 32.46 33.81 2kcz n ARG 46 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2kcz n SER 47 N -1.63 0.60 -0.63 2.89 7.64 -1.22 -4.61 113.62 116.66 2kcz n SER 47 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.94 2kcz n SER 47 Cb 0.43 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 2kcz n SER 47 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2kcz n ARG 48 N 0.00 -1.40 -3.37 1.43 0.63 -1.26 -4.52 116.66 108.17 2kcz n ARG 48 Ca 0.00 1.08 -0.10 0.00 -0.92 0.00 0.00 57.85 57.91 2kcz n ARG 48 Cb 0.00 -1.66 -0.08 0.00 0.45 0.00 0.00 32.46 31.17 2kcz n ARG 48 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 2kcz s TRP 49 N -2.84 -0.79 -0.25 -0.14 -0.00 -1.26 -2.26 118.94 111.40 2kcz s TRP 49 Ca 0.00 0.81 -0.12 0.00 -0.00 0.00 0.00 56.10 56.80 2kcz s TRP 49 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 33.47 33.57 2kcz s TRP 49 CO 0.00 -0.71 0.58 0.99 -0.00 0.00 0.00 176.95 177.82 2kcz s THR 50 N 2.53 -0.39 -0.67 5.86 2.01 -1.26 -5.00 115.64 118.72 2kcz s THR 50 Ca 0.12 0.05 0.22 0.00 0.31 0.00 0.00 61.69 62.39 2kcz s THR 50 Cb -0.15 -0.87 0.22 0.00 0.01 0.00 0.00 72.50 71.71 2kcz s THR 50 CO -0.15 0.02 1.68 1.33 -0.69 0.00 0.00 174.62 176.80 2kcz n VAL 51 N 4.80 0.78 -3.68 3.82 0.24 -1.26 -4.23 118.33 118.80 2kcz n VAL 51 Ca -0.17 0.14 -0.30 0.00 -2.04 0.00 0.00 64.34 61.98 2kcz n VAL 51 Cb 0.54 -1.00 -0.15 0.00 -1.47 0.00 0.00 33.84 31.76 2kcz n VAL 51 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kcz s GLU 52 N -3.19 0.56 -0.40 7.34 0.41 -1.26 -5.06 118.70 117.10 2kcz s GLU 52 Ca 0.06 -0.90 0.02 0.00 -0.41 0.00 0.00 54.97 53.74 2kcz s GLU 52 Cb 0.10 -1.76 0.15 0.00 -1.78 0.00 0.00 34.13 30.85 2kcz s GLU 52 CO 0.40 -0.99 0.27 0.00 -0.49 0.00 0.00 175.26 174.46 2kcz s ALA 53 N 1.76 1.41 -0.19 5.21 0.00 -1.26 -5.10 121.76 123.59 2kcz s ALA 53 Ca 0.09 -2.27 -0.29 0.00 0.00 0.00 0.00 51.96 49.50 2kcz s ALA 53 Cb -0.17 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 2kcz s ALA 53 CO -0.28 -2.05 1.82 -2.14 0.00 0.00 0.00 175.76 173.11 2kcz s PRO 54 N 0.49 3.66 0.37 0.00 0.02 -1.26 -4.54 135.00 133.75 2kcz s PRO 54 Ca 0.23 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2kcz s PRO 54 Cb -0.13 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.24 2kcz s PRO 54 CO -0.07 -1.48 0.00 0.00 -0.33 0.00 0.00 177.00 175.12 2kcz n ALA 55 N 9.20 -1.66 0.27 -1.55 0.00 -1.26 -4.59 120.51 120.91 2kcz n ALA 55 Ca 0.22 0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.83 2kcz n ALA 55 Cb 0.45 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 2kcz n ALA 55 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kcz h PRO 56 N 0.72 -0.68 -0.01 0.00 0.13 -2.02 -3.36 132.00 126.78 2kcz h PRO 56 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2kcz h PRO 56 Cb 0.26 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.54 2kcz h PRO 56 CO 0.00 -0.37 -0.02 1.47 -0.23 0.00 0.00 178.00 178.85 2kcz n LEU 57 N -5.29 1.66 -4.54 1.56 -0.00 -1.26 -4.52 117.00 104.61 2kcz n LEU 57 Ca -0.11 -0.97 -0.28 0.00 -0.00 0.00 0.00 56.01 54.65 2kcz n LEU 57 Cb 0.32 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.67 2kcz n LEU 57 CO 0.31 0.33 1.79 0.61 -0.00 0.00 0.00 177.39 180.42 2kcz n GLY 58 N 0.55 -0.07 2.65 1.47 0.00 -1.26 -1.79 105.19 106.74 2kcz n GLY 58 Ca 0.05 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2kcz n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcz n ALA 59 N 15.31 0.00 -0.07 4.61 0.00 -1.26 -4.80 120.51 134.30 2kcz n ALA 59 Ca 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 2kcz n ALA 59 Cb 0.41 -0.58 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 2kcz n ALA 59 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kcz n VAL 60 N -2.45 1.51 -1.42 0.00 0.24 -0.74 -4.97 118.33 110.50 2kcz n VAL 60 Ca 0.00 -0.80 -0.15 0.00 -2.04 0.00 0.00 64.34 61.35 2kcz n VAL 60 Cb 0.16 -0.84 -0.07 0.00 -1.47 0.00 0.00 33.84 31.63 2kcz n VAL 60 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2kcz n SER 61 N -2.95 -5.08 0.00 -1.34 2.88 -1.16 -4.73 113.62 101.24 2kcz n SER 61 Ca -0.28 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2kcz n SER 61 Cb 1.10 -4.21 0.00 0.00 -0.75 0.00 0.00 64.21 60.35 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 -2.17 0.00 -3.06 0.66 7.02 -1.26 -4.38 117.44 114.25 2kcz n TRP 62 Ca -0.15 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.02 2kcz n TRP 62 Cb 0.59 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.43 2kcz n TRP 62 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2kcz s GLU 63 N -0.02 3.87 0.05 -0.99 2.56 -1.26 -5.05 118.70 117.87 2kcz s GLU 63 Ca 0.00 0.51 0.08 0.00 0.00 0.00 0.00 54.97 55.57 2kcz s GLU 63 Cb 0.00 -2.45 -0.03 0.00 2.00 0.00 0.00 34.13 33.65 2kcz s GLU 63 CO 0.00 0.10 -0.24 0.00 -0.56 0.00 0.00 175.26 174.56 2kcz s ALA 64 N -2.13 2.02 0.45 6.30 0.00 -1.26 -3.24 121.76 123.90 2kcz s ALA 64 Ca 0.52 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2kcz s ALA 64 Cb -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2kcz s ALA 64 CO 0.24 0.46 0.46 -2.00 0.00 0.00 0.00 175.76 174.92 2kcz s GLU 65 N -1.31 2.51 0.03 0.00 2.12 -1.24 -3.39 118.70 117.42 2kcz s GLU 65 Ca 0.10 -1.58 0.05 0.00 0.36 0.00 0.00 54.97 53.89 2kcz s GLU 65 Cb -0.09 -2.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.85 2kcz s GLU 65 CO 0.02 -0.35 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.09 2kcz s LEU 66 N -4.25 2.15 -0.18 2.70 2.96 -0.45 -2.40 118.68 119.23 2kcz s LEU 66 Ca 0.49 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 54.05 2kcz s LEU 66 Cb -0.04 -0.59 -0.22 0.00 0.50 0.00 0.00 46.19 45.84 2kcz s LEU 66 CO 0.29 0.04 0.13 0.35 -1.32 0.00 0.00 176.35 175.84 2kcz n THR 67 N 2.00 1.52 -3.83 3.68 -2.24 -0.99 -4.91 114.28 109.53 2kcz n THR 67 Ca -0.18 -0.73 -0.13 0.00 -2.27 0.00 0.00 64.05 60.75 2kcz n THR 67 Cb 0.55 -1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 67.56 2kcz n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kcz s ALA 68 N -2.53 -0.01 -0.44 6.98 0.00 -1.13 -4.95 121.76 119.68 2kcz s ALA 68 Ca -0.19 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.00 2kcz s ALA 68 Cb 0.07 -0.13 0.21 0.00 0.00 0.00 0.00 23.12 23.28 2kcz s ALA 68 CO 0.75 -0.05 0.45 -0.40 0.00 0.00 0.00 175.76 176.51 2kcz n ASP 69 N 3.52 0.30 -4.87 0.00 5.75 -1.26 -3.30 116.55 116.68 2kcz n ASP 69 Ca -0.18 -2.63 -0.35 0.00 -0.01 0.00 0.00 54.79 51.61 2kcz n ASP 69 Cb 0.56 -0.61 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 2kcz n ASP 69 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kcz s GLU 70 N -0.74 3.66 0.20 0.11 0.41 -1.00 -5.01 118.70 116.32 2kcz s GLU 70 Ca 0.34 0.05 -0.06 0.00 -0.41 0.00 0.00 54.97 54.90 2kcz s GLU 70 Cb 0.10 -3.10 0.15 0.00 -1.78 0.00 0.00 34.13 29.50 2kcz s GLU 70 CO -0.15 0.65 1.61 -1.35 -0.49 0.00 0.00 175.26 175.54 2kcz h PRO 71 N 4.16 0.83 -0.23 0.39 0.11 -1.98 -3.38 132.00 131.90 2kcz h PRO 71 Ca -0.51 -0.34 -0.22 0.00 0.11 0.00 0.00 66.00 65.05 2kcz h PRO 71 Cb 1.20 -0.04 -0.26 0.00 0.11 0.00 0.00 31.00 32.02 2kcz h PRO 71 CO 0.64 0.97 -0.64 0.41 -0.21 0.00 0.00 178.00 179.17 2kcz n GLY 72 N -0.21 1.83 0.85 -0.55 0.00 -1.26 -2.25 105.19 103.60 2kcz n GLY 72 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.00 0.00 -3.71 1.61 5.02 -1.26 -4.88 118.16 113.94 2kcz n LYS 73 Ca -0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 2kcz n LYS 73 Cb 0.84 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.77 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 -0.57 0.76 -0.20 1.97 1.70 -1.26 -1.58 118.95 119.77 2kcz s ARG 74 Ca 0.00 -0.13 -0.03 0.00 -0.47 0.00 0.00 55.73 55.10 2kcz s ARG 74 Cb 0.00 0.34 0.06 0.00 -0.57 0.00 0.00 34.95 34.78 2kcz s ARG 74 CO 0.00 -0.22 0.04 0.42 -1.08 0.00 0.00 175.30 174.46 2kcz s ILE 75 N -1.41 0.48 -0.33 4.99 1.01 0.16 -2.39 121.20 123.70 2kcz s ILE 75 Ca -0.12 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 2kcz s ILE 75 Cb -0.04 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 2kcz s ILE 75 CO 0.05 -0.24 0.38 0.00 0.00 0.00 0.00 174.94 175.12 2kcz s ALA 76 N 1.87 3.50 0.47 9.38 0.00 -1.21 -0.89 121.76 134.90 2kcz s ALA 76 Ca -0.00 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 2kcz s ALA 76 Cb -0.17 -2.82 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 2kcz s ALA 76 CO -0.09 -1.01 0.92 -0.46 0.00 0.00 0.00 175.76 175.11 2kcz s TRP 77 N 2.06 3.44 0.25 0.00 -0.00 -0.15 -2.33 118.94 122.20 2kcz s TRP 77 Ca 0.13 1.36 0.02 0.00 -0.00 0.00 0.00 56.10 57.60 2kcz s TRP 77 Cb -0.16 -2.70 -0.04 0.00 -0.00 0.00 0.00 33.47 30.58 2kcz s TRP 77 CO 0.12 -0.27 0.19 0.50 -0.00 0.00 0.00 176.95 177.49 2kcz s ARG 78 N -3.91 1.41 0.06 5.86 3.52 -1.01 -4.28 118.95 120.59 2kcz s ARG 78 Ca 0.57 -1.76 0.02 0.00 -0.13 0.00 0.00 55.73 54.43 2kcz s ARG 78 Cb -0.10 0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 33.56 2kcz s ARG 78 CO 0.30 -0.49 -0.08 -1.12 -0.81 0.00 0.00 175.30 173.10 2kcz s SER 79 N -3.23 0.94 0.37 -2.12 0.01 -1.25 -3.65 113.70 104.76 2kcz s SER 79 Ca 0.39 -0.67 -0.25 0.00 1.31 0.00 0.00 55.95 56.73 2kcz s SER 79 Cb 0.05 0.05 -0.10 0.00 0.21 0.00 0.00 66.02 66.24 2kcz s SER 79 CO 0.17 -0.27 0.98 -0.76 0.41 0.00 0.00 173.24 173.77 2kcz s LEU 80 N -1.97 4.21 0.47 2.44 1.43 -1.20 -4.54 118.68 119.52 2kcz s LEU 80 Ca -0.04 1.89 0.16 0.00 -1.03 0.00 0.00 54.13 55.11 2kcz s LEU 80 Cb -0.06 -4.15 1.15 0.00 0.03 0.00 0.00 46.19 43.16 2kcz s LEU 80 CO -0.01 -0.26 2.04 -0.65 0.23 0.00 0.00 176.35 177.70 2kcz h PRO 81 N 2.75 0.22 -0.00 1.29 0.11 -1.91 0.97 132.00 135.43 2kcz h PRO 81 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kcz h PRO 81 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kcz h PRO 81 CO 0.63 0.15 -0.04 0.41 -0.21 0.00 0.00 178.00 178.94 2kcz n GLY 82 N -1.55 -1.18 0.04 -0.55 0.00 -1.26 -4.10 105.19 96.59 2kcz n GLY 82 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.19 0.29 0.01 4.61 0.00 0.29 -4.14 120.51 120.38 2kcz n ALA 83 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2kcz n ALA 83 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2kcz n ALA 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kcz n ARG 84 N -3.41 0.00 -4.30 0.00 0.63 -0.93 -4.78 116.66 103.87 2kcz n ARG 84 Ca -0.05 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.51 2kcz n ARG 84 Cb 0.17 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.04 2kcz n ARG 84 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2kcz n ILE 85 N -2.42 -0.86 1.07 5.15 3.06 -1.25 -4.82 119.36 119.30 2kcz n ILE 85 Ca 0.00 -0.04 0.12 0.00 -2.50 0.00 0.00 62.75 60.32 2kcz n ILE 85 Cb 0.00 -1.40 0.10 0.00 0.54 0.00 0.00 39.64 38.88 2kcz n ILE 85 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2kcz n GLU 86 N -4.31 1.22 -4.33 9.51 -0.58 -1.26 -4.95 120.64 115.94 2kcz n GLU 86 Ca 0.06 -0.95 -0.18 0.00 -0.42 0.00 0.00 57.16 55.66 2kcz n GLU 86 Cb 0.50 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.79 2kcz n GLU 86 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2kcz s ASN 87 N -2.44 1.41 -0.06 1.62 4.22 -1.26 -5.11 114.94 113.33 2kcz s ASN 87 Ca 0.21 -1.48 -0.11 0.00 -2.14 0.00 0.00 52.86 49.33 2kcz s ASN 87 Cb 0.19 0.29 0.02 0.00 1.28 0.00 0.00 41.25 43.03 2kcz s ASN 87 CO 0.54 -0.82 0.27 -0.44 -2.04 0.00 0.00 177.10 174.61 2kcz s SER 88 N -3.35 -0.21 -0.07 3.54 0.01 -1.26 -4.82 113.70 107.54 2kcz s SER 88 Ca 0.36 0.28 -0.03 0.00 1.31 0.00 0.00 55.95 57.87 2kcz s SER 88 Cb 0.06 0.43 0.04 0.00 0.21 0.00 0.00 66.02 66.76 2kcz s SER 88 CO 0.16 -0.27 0.13 -0.83 0.41 0.00 0.00 173.24 172.84 2kcz s GLY 89 N -0.63 0.06 -0.19 3.44 0.00 -1.26 -2.89 107.32 105.85 2kcz s GLY 89 Ca -0.07 0.51 -0.00 0.00 0.00 0.00 0.00 44.72 45.16 2kcz s GLY 89 CO 0.02 1.42 -0.16 1.85 0.00 0.00 0.00 173.10 176.24 2kcz s GLU 90 N 1.95 3.11 -0.22 2.90 2.12 -1.13 -0.98 118.70 126.46 2kcz s GLU 90 Ca -0.00 -0.77 -0.03 0.00 0.36 0.00 0.00 54.97 54.53 2kcz s GLU 90 Cb -0.12 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.58 2kcz s GLU 90 CO -0.05 -0.17 -0.06 0.08 -0.54 0.00 0.00 175.26 174.52 2kcz s VAL 91 N 1.27 3.23 -0.22 3.70 1.01 -0.07 -1.81 120.40 127.51 2kcz s VAL 91 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 2kcz s VAL 91 Cb -0.14 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2kcz s VAL 91 CO -0.09 0.42 0.07 -0.76 0.00 0.00 0.00 175.10 174.75 2kcz s LEU 92 N 1.45 3.66 -0.52 3.92 1.02 -1.11 0.36 118.68 127.48 2kcz s LEU 92 Ca 0.05 -0.05 -0.22 0.00 0.02 0.00 0.00 54.13 53.93 2kcz s LEU 92 Cb -0.14 -1.96 0.04 0.00 0.02 0.00 0.00 46.19 44.16 2kcz s LEU 92 CO -0.04 0.07 0.80 -0.36 0.02 0.00 0.00 176.35 176.84 2kcz s PHE 93 N 1.00 2.92 0.03 0.29 0.08 -0.62 -3.13 117.98 118.54 2kcz s PHE 93 Ca 0.04 -0.17 0.06 0.00 0.12 0.00 0.00 56.93 56.98 2kcz s PHE 93 Cb -0.14 -3.81 -0.02 0.00 -0.57 0.00 0.00 43.02 38.48 2kcz s PHE 93 CO 0.03 -1.18 -0.17 -0.98 -0.10 0.00 0.00 175.22 172.82 2kcz s ARG 94 N 3.37 1.22 0.14 0.44 1.70 -1.18 -4.46 118.95 120.18 2kcz s ARG 94 Ca 0.25 -0.79 -0.31 0.00 -0.47 0.00 0.00 55.73 54.41 2kcz s ARG 94 Cb -0.15 -1.26 -0.10 0.00 -0.57 0.00 0.00 34.95 32.88 2kcz s ARG 94 CO 0.17 0.32 1.70 -2.14 -1.08 0.00 0.00 175.30 174.27 2kcz s PRO 95 N -0.97 4.17 0.47 3.89 0.02 -1.26 -1.39 135.00 139.93 2kcz s PRO 95 Ca 0.05 2.47 -0.22 0.00 0.02 0.00 0.00 61.00 63.31 2kcz s PRO 95 Cb -0.08 -3.39 -0.07 0.00 0.02 0.00 0.00 34.50 30.98 2kcz s PRO 95 CO 0.01 -0.74 1.17 0.00 -0.33 0.00 0.00 177.00 177.11 2kcz s ALA 96 N 2.02 2.93 -0.00 -1.55 0.00 0.13 -4.79 121.76 120.49 2kcz s ALA 96 Ca 0.75 0.93 -0.38 0.00 0.00 0.00 0.00 51.96 53.27 2kcz s ALA 96 Cb -0.44 -3.38 -0.16 0.00 0.00 0.00 0.00 23.12 19.13 2kcz s ALA 96 CO 0.33 -0.69 1.44 -0.35 0.00 0.00 0.00 175.76 176.50 2kcz n PRO 97 N -0.60 1.16 -1.04 0.00 -0.04 -1.26 -1.40 135.00 131.82 2kcz n PRO 97 Ca 0.08 0.42 -0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2kcz n PRO 97 Cb 0.48 -2.07 -0.00 0.00 -0.04 0.00 0.00 33.50 31.87 2kcz n PRO 97 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kcz n GLY 98 N 2.94 0.39 2.99 0.55 0.00 -1.26 -3.59 105.19 107.20 2kcz n GLY 98 Ca 0.20 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 0.94 -0.94 1.89 4.61 0.00 -0.49 -4.84 120.51 121.67 2kcz n ALA 99 Ca -0.00 0.21 0.15 0.00 0.00 0.00 0.00 53.44 53.80 2kcz n ALA 99 Cb 0.02 -3.25 0.82 0.00 0.00 0.00 0.00 19.45 17.04 2kcz n ALA 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcz n ARG 100 N -3.75 1.14 -0.65 0.00 5.12 -1.20 -4.98 116.66 112.35 2kcz n ARG 100 Ca -0.11 -0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.60 2kcz n ARG 100 Cb 0.61 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 2kcz n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kcz n GLY 101 N 1.02 0.61 3.17 -0.13 0.00 -1.26 -4.72 105.19 103.87 2kcz n GLY 101 Ca 0.22 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.25 1.90 -0.17 2.61 2.01 -0.50 0.20 115.64 118.44 2kcz s THR 102 Ca 0.00 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 2kcz s THR 102 Cb 0.00 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 2kcz s THR 102 CO 0.00 0.52 0.06 -1.83 -0.69 0.00 0.00 174.62 172.68 2kcz s GLU 103 N 0.58 3.91 -0.05 4.92 -1.05 -0.49 -1.20 118.70 125.32 2kcz s GLU 103 Ca -0.14 -0.34 -0.20 0.00 -0.15 0.00 0.00 54.97 54.14 2kcz s GLU 103 Cb -0.17 -3.18 -0.05 0.00 -0.44 0.00 0.00 34.13 30.29 2kcz s GLU 103 CO 0.04 0.31 0.58 0.14 0.95 0.00 0.00 175.26 177.28 2kcz s VAL 104 N 0.25 5.03 -0.23 1.83 -7.23 -0.58 -3.08 120.40 116.40 2kcz s VAL 104 Ca 0.04 1.19 0.00 0.00 -1.81 0.00 0.00 61.98 61.40 2kcz s VAL 104 Cb -0.12 -3.92 0.03 0.00 0.56 0.00 0.00 36.38 32.93 2kcz s VAL 104 CO 0.00 0.36 -0.12 0.54 -0.31 0.00 0.00 175.10 175.57 2kcz s VAL 105 N 0.26 2.43 -0.31 1.32 0.11 -1.18 -1.98 120.40 121.04 2kcz s VAL 105 Ca 0.31 -1.15 -0.09 0.00 -2.93 0.00 0.00 61.98 58.11 2kcz s VAL 105 Cb -0.17 -2.22 -0.00 0.00 -1.53 0.00 0.00 36.38 32.46 2kcz s VAL 105 CO 0.15 0.25 0.14 -0.69 -3.33 0.00 0.00 175.10 171.63 2kcz s VAL 106 N 1.26 4.48 -0.51 2.04 1.01 -0.93 -2.74 120.40 125.00 2kcz s VAL 106 Ca -0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 2kcz s VAL 106 Cb -0.16 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.96 2kcz s VAL 106 CO -0.07 0.05 0.76 -0.60 0.00 0.00 0.00 175.10 175.24 2kcz s ARG 107 N 1.59 3.24 -0.14 2.72 3.52 -0.75 -3.07 118.95 126.05 2kcz s ARG 107 Ca 0.04 -0.54 -0.09 0.00 -0.13 0.00 0.00 55.73 55.01 2kcz s ARG 107 Cb -0.17 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 2kcz s ARG 107 CO 0.06 -1.29 0.16 -1.17 -0.81 0.00 0.00 175.30 172.25 2kcz s LEU 108 N 3.20 4.32 -0.24 -0.88 1.98 0.64 -2.82 118.68 124.88 2kcz s LEU 108 Ca 0.23 0.42 -0.26 0.00 -2.89 0.00 0.00 54.13 51.63 2kcz s LEU 108 Cb -0.16 -2.13 -0.00 0.00 0.66 0.00 0.00 46.19 44.56 2kcz s LEU 108 CO 0.16 0.30 0.88 0.42 -1.89 0.00 0.00 176.35 176.22 2kcz s THR 109 N -0.42 4.80 -0.18 3.68 -4.23 -1.14 -2.46 115.64 115.68 2kcz s THR 109 Ca 0.13 1.67 -0.02 0.00 -1.18 0.00 0.00 61.69 62.29 2kcz s THR 109 Cb -0.12 -4.16 0.05 0.00 1.34 0.00 0.00 72.50 69.61 2kcz s THR 109 CO 0.02 -0.10 0.01 -0.47 -0.54 0.00 0.00 174.62 173.53 2kcz s TYR 110 N 2.93 1.25 0.05 3.99 5.04 -1.20 -4.83 117.35 124.58 2kcz s TYR 110 Ca 0.37 -0.91 0.01 0.00 -2.44 0.00 0.00 57.07 54.10 2kcz s TYR 110 Cb -0.15 -1.11 -0.03 0.00 0.35 0.00 0.00 41.96 41.02 2kcz s TYR 110 CO 0.07 -0.59 -0.05 -0.98 -1.34 0.00 0.00 175.55 172.66 2kcz s ARG 111 N 1.78 0.56 0.66 4.97 1.70 -1.26 -0.66 118.95 126.69 2kcz s ARG 111 Ca -0.00 -0.96 -0.14 0.00 -0.47 0.00 0.00 55.73 54.16 2kcz s ARG 111 Cb -0.16 -0.04 -0.00 0.00 -0.57 0.00 0.00 34.95 34.17 2kcz s ARG 111 CO -0.07 -0.03 1.07 -1.25 -1.08 0.00 0.00 175.30 173.94 2kcz s PRO 112 N -2.63 2.96 -0.05 3.89 0.04 -1.24 -4.89 135.00 133.07 2kcz s PRO 112 Ca -0.03 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 2kcz s PRO 112 Cb -0.02 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2kcz s PRO 112 CO -0.04 -1.10 2.04 -2.14 0.04 0.00 0.00 177.00 175.81 2kcz s PRO 113 N -4.44 3.81 -1.37 0.56 0.02 -1.26 -4.87 135.00 127.44 2kcz s PRO 113 Ca 0.63 2.41 -0.13 0.00 0.02 0.00 0.00 61.00 63.92 2kcz s PRO 113 Cb -0.17 -4.23 -0.03 0.00 0.02 0.00 0.00 34.50 30.09 2kcz s PRO 113 CO 0.45 -1.34 2.39 0.41 -0.33 0.00 0.00 177.00 178.58 2kcz n GLY 114 N 4.94 4.01 0.00 0.52 0.00 -1.26 -4.58 105.19 108.81 2kcz n GLY 114 Ca 0.23 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 3.98 2.49 0.19 -0.02 0.00 -1.26 -4.95 105.19 105.61 2kcz n GLY 115 Ca 0.59 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 2kcz n GLY 115 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kcz h SER 116 N 0.00 0.53 0.01 1.61 0.87 -2.00 -0.81 113.55 113.75 2kcz h SER 116 Ca 0.00 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 2kcz h SER 116 Cb 0.00 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2kcz h SER 116 CO 0.00 0.44 -0.17 0.00 -0.53 0.00 0.00 176.83 176.57 2kcz h ALA 117 N 1.11 1.39 -0.20 6.23 0.00 -1.96 -2.22 119.26 123.61 2kcz h ALA 117 Ca 0.15 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2kcz h ALA 117 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kcz h ALA 117 CO -0.03 0.42 -0.57 0.78 0.00 0.00 0.00 179.25 179.85 2kcz h GLY 118 N 0.86 0.68 0.81 0.00 0.00 -1.77 -3.00 103.07 100.64 2kcz h GLY 118 Ca 0.05 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 2kcz h GLY 118 CO 0.03 0.72 -0.13 0.00 0.00 0.00 0.00 176.54 177.16 2kcz h ALA 119 N 0.90 0.29 -0.41 3.60 0.00 -0.74 -2.18 119.26 120.71 2kcz h ALA 119 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2kcz h ALA 119 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2kcz h ALA 119 CO 0.11 0.15 -0.10 -0.39 0.00 0.00 0.00 179.25 179.02 2kcz h VAL 120 N 0.13 1.25 -0.00 0.00 -1.51 -1.47 0.59 116.25 115.24 2kcz h VAL 120 Ca 0.04 -1.11 -0.19 0.00 -1.23 0.00 0.00 66.70 64.21 2kcz h VAL 120 Cb 0.63 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 2kcz h VAL 120 CO 0.04 0.38 -0.84 0.16 -1.23 0.00 0.00 177.57 176.07 2kcz h ILE 121 N 0.65 1.50 -0.18 7.19 3.07 -1.56 -2.99 117.51 125.19 2kcz h ILE 121 Ca 0.12 -2.58 -0.13 0.00 1.55 0.00 0.00 64.86 63.82 2kcz h ILE 121 Cb 0.55 2.42 -0.01 0.00 -0.27 0.00 0.00 36.82 39.51 2kcz h ILE 121 CO 0.03 0.75 -0.43 0.00 -1.05 0.00 0.00 178.15 177.46 2kcz h ALA 122 N 1.03 0.93 -0.53 0.16 0.00 -1.02 -1.67 119.26 118.16 2kcz h ALA 122 Ca -0.04 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2kcz h ALA 122 Cb 1.45 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2kcz h ALA 122 CO 0.13 0.64 0.35 -0.09 0.00 0.00 0.00 179.25 180.27 2kcz h ARG 123 N 0.36 0.61 0.08 0.00 9.65 -0.79 -1.59 114.38 122.71 2kcz h ARG 123 Ca 0.03 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2kcz h ARG 123 Cb 0.90 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 2kcz h ARG 123 CO 0.08 0.41 -0.04 1.98 2.80 0.00 0.00 179.97 185.20 2kcz h MET 124 N 0.63 -0.10 -3.07 0.20 4.05 -1.31 -3.41 114.93 111.92 2kcz h MET 124 Ca 0.21 0.01 -0.62 0.00 -0.28 0.00 0.00 59.70 59.01 2kcz h MET 124 Cb 0.04 0.02 -0.40 0.00 -0.80 0.00 0.00 31.60 30.46 2kcz h MET 124 CO -0.05 0.41 -0.70 0.12 0.23 0.00 0.00 176.91 176.92 2kcz s PHE 125 N -3.77 2.43 -0.04 1.39 5.36 -0.67 -4.82 117.98 117.87 2kcz s PHE 125 Ca -0.15 -2.72 -0.02 0.00 -0.96 0.00 0.00 56.93 53.08 2kcz s PHE 125 Cb 0.01 -2.17 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 2kcz s PHE 125 CO 0.60 -0.75 -0.05 -1.71 -1.46 0.00 0.00 175.22 171.85 2kcz n ASN 126 N 3.21 0.41 -3.48 6.13 5.15 -0.63 -4.58 115.26 121.45 2kcz n ASN 126 Ca 0.10 0.04 -0.18 0.00 -0.60 0.00 0.00 54.58 53.94 2kcz n ASN 126 Cb 0.35 -0.11 0.07 0.00 -0.53 0.00 0.00 39.78 39.56 2kcz n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kcz n GLN 127 N -3.15 -5.58 -3.72 1.20 1.13 -1.26 -4.98 117.38 101.02 2kcz n GLN 127 Ca -0.08 0.78 -0.28 0.00 -1.94 0.00 0.00 57.00 55.49 2kcz n GLN 127 Cb 0.55 -5.65 -0.12 0.00 0.11 0.00 0.00 30.24 25.14 2kcz n GLN 127 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2kcz s GLU 128 N -5.42 1.74 -0.04 -1.09 2.02 -1.26 -4.79 118.70 109.86 2kcz s GLU 128 Ca 0.06 -2.68 -0.21 0.00 0.02 0.00 0.00 54.97 52.17 2kcz s GLU 128 Cb -0.01 -2.61 -0.15 0.00 0.10 0.00 0.00 34.13 31.46 2kcz s GLU 128 CO 0.75 -1.28 0.90 -1.35 0.02 0.00 0.00 175.26 174.30 2kcz h PRO 129 N 5.80 -0.24 -0.07 0.39 0.11 -2.06 -3.37 132.00 132.57 2kcz h PRO 129 Ca 0.14 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2kcz h PRO 129 Cb 0.84 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2kcz h PRO 129 CO 0.57 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 2kcz n SER 130 N -4.95 1.83 -0.67 -2.05 3.41 -1.26 -5.12 113.62 104.81 2kcz n SER 130 Ca -0.08 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 2kcz n SER 130 Cb 0.26 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2kcz n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kcz n GLN 131 N 0.17 0.00 0.24 4.33 6.02 -1.26 -3.51 117.38 123.36 2kcz n GLN 131 Ca 0.04 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.13 2kcz n GLN 131 Cb 0.21 0.00 0.59 0.00 1.02 0.00 0.00 30.24 32.06 2kcz n GLN 131 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2kcz h GLN 132 N 0.00 0.00 0.00 -1.09 3.07 -1.98 -3.48 115.11 111.63 2kcz h GLN 132 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2kcz h GLN 132 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2kcz h GLN 132 CO 0.00 0.20 0.00 -0.11 0.09 0.00 0.00 178.83 179.01 2kcz n LEU 133 N -3.72 0.00 0.00 0.06 7.94 -1.23 -2.67 117.00 117.38 2kcz n LEU 133 Ca -0.01 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.03 2kcz n LEU 133 Cb 0.31 0.00 0.64 0.00 0.53 0.00 0.00 43.42 44.90 2kcz n LEU 133 CO 0.33 -0.16 0.97 -1.14 -1.11 0.00 0.00 177.39 176.27 2kcz n ARG 134 N 0.00 0.06 -0.13 1.96 0.63 -1.26 -3.80 116.66 114.12 2kcz n ARG 134 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2kcz n ARG 134 Cb 0.00 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.45 2kcz n ARG 134 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2kcz h ASP 135 N 0.00 -0.05 -0.06 6.15 5.19 -1.90 0.34 116.42 126.09 2kcz h ASP 135 Ca 0.00 0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.37 2kcz h ASP 135 Cb 0.47 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 2kcz h ASP 135 CO 0.00 0.01 -0.37 -0.78 -3.12 0.00 0.00 179.24 174.97 2kcz h ASP 136 N 0.18 0.59 1.54 6.45 3.58 -1.63 -2.86 116.42 124.28 2kcz h ASP 136 Ca 0.21 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2kcz h ASP 136 Cb 0.28 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2kcz h ASP 136 CO -0.30 0.91 -0.16 0.25 -2.88 0.00 0.00 179.24 177.07 2kcz h LEU 137 N 0.47 0.00 -0.81 2.28 5.85 -1.52 -2.81 115.31 118.77 2kcz h LEU 137 Ca 0.05 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2kcz h LEU 137 Cb 0.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2kcz h LEU 137 CO 0.07 0.16 -0.05 0.24 -0.34 0.00 0.00 178.44 178.52 2kcz h MET 138 N 0.00 0.84 -0.22 1.25 2.86 -0.12 -1.59 114.93 117.96 2kcz h MET 138 Ca -0.00 -0.26 -0.13 0.00 -2.06 0.00 0.00 59.70 57.25 2kcz h MET 138 Cb 0.97 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2kcz h MET 138 CO 0.02 0.88 -0.40 -0.09 1.06 0.00 0.00 176.91 178.38 2kcz h ARG 139 N 0.77 0.50 -0.45 1.72 9.65 -1.45 -0.54 114.38 124.58 2kcz h ARG 139 Ca 0.14 -0.25 0.04 0.00 -1.10 0.00 0.00 59.98 58.81 2kcz h ARG 139 Cb 0.54 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 2kcz h ARG 139 CO 0.03 0.82 0.22 0.35 2.80 0.00 0.00 179.97 184.19 2kcz h PHE 140 N 0.42 0.40 -0.76 2.20 3.57 -1.24 0.13 116.94 121.65 2kcz h PHE 140 Ca 0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2kcz h PHE 140 Cb 0.88 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 2kcz h PHE 140 CO 0.03 0.20 0.27 -0.22 -2.23 0.00 0.00 178.31 176.36 2kcz h LYS 141 N 0.43 1.16 0.62 1.11 3.64 -1.02 0.63 116.57 123.14 2kcz h LYS 141 Ca 0.20 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2kcz h LYS 141 Cb 0.11 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2kcz h LYS 141 CO -0.15 0.96 -0.42 -0.09 -2.27 0.00 0.00 179.45 177.48 2kcz h ARG 142 N 1.12 -0.96 0.00 1.90 9.65 -0.09 -1.98 114.38 124.02 2kcz h ARG 142 Ca 0.25 0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 59.14 2kcz h ARG 142 Cb 0.26 0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2kcz h ARG 142 CO -0.01 -0.64 -0.25 0.93 2.80 0.00 0.00 179.97 182.79 2kcz h GLU 143 N -1.00 0.00 -0.18 0.20 3.07 -0.74 0.25 114.58 116.17 2kcz h GLU 143 Ca -0.08 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2kcz h GLU 143 Cb 0.82 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.70 2kcz h GLU 143 CO 0.05 0.25 -0.02 1.96 -1.40 0.00 0.00 179.01 179.85 2kcz h GLN 144 N 0.00 0.03 0.04 2.33 1.08 -0.53 0.21 115.11 118.27 2kcz h GLN 144 Ca -0.00 -0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 2kcz h GLN 144 Cb 0.50 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 2kcz h GLN 144 CO 0.03 0.02 -1.59 0.93 -0.95 0.00 0.00 178.83 177.27 2kcz h GLU 145 N 0.03 0.08 0.00 1.46 5.08 -1.01 -3.41 114.58 116.82 2kcz h GLU 145 Ca 0.08 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2kcz h GLU 145 Cb 0.12 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2kcz h GLU 145 CO -0.16 0.78 -0.68 -0.11 -1.00 0.00 0.00 179.01 177.84 2kcz n LEU 146 N -3.23 1.82 0.00 1.33 7.94 0.84 -5.08 117.00 120.62 2kcz n LEU 146 Ca -0.16 0.59 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2kcz n LEU 146 Cb 1.03 -0.89 0.00 0.00 0.53 0.00 0.00 43.42 44.10 2kcz n LEU 146 CO 0.46 -0.32 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 2kcz n GLY 147 N 1.58 2.42 0.26 -3.96 0.00 0.73 -4.87 105.19 101.34 2kcz n GLY 147 Ca -0.12 -2.02 0.15 0.00 0.00 0.00 0.00 46.02 44.02 2kcz n GLY 147 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kcz n LEU 148 N 0.00 0.83 -4.62 0.99 7.94 -1.26 -4.30 117.00 116.59 2kcz n LEU 148 Ca 0.00 -0.26 -0.39 0.00 -1.11 0.00 0.00 56.01 54.25 2kcz n LEU 148 Cb 0.00 -0.02 -0.08 0.00 0.53 0.00 0.00 43.42 43.85 2kcz n LEU 148 CO 0.00 0.14 0.14 -0.70 -1.11 0.00 0.00 177.39 175.86 2kcz s GLU 149 N -2.06 4.06 -0.19 1.96 2.12 -1.26 -4.61 118.70 118.72 2kcz s GLU 149 Ca 0.41 0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.89 2kcz s GLU 149 Cb 0.21 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2kcz s GLU 149 CO 0.37 -0.28 0.20 1.58 -0.54 0.00 0.00 175.26 176.59 2kcz n HIS 150 N 5.31 -0.98 -3.82 5.30 -0.00 -1.26 -5.05 115.22 114.72 2kcz n HIS 150 Ca -0.07 0.38 -0.30 0.00 -0.00 0.00 0.00 57.72 57.74 2kcz n HIS 150 Cb 0.50 -2.30 -0.14 0.00 -0.00 0.00 0.00 29.99 28.06 2kcz n HIS 150 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcz s HIS 151 N -2.41 2.50 -0.01 1.57 -3.43 -1.26 -5.07 115.29 107.18 2kcz s HIS 151 Ca 0.03 -2.63 -0.30 0.00 -0.80 0.00 0.00 55.06 51.35 2kcz s HIS 151 Cb -0.01 -2.26 -0.04 0.00 -1.43 0.00 0.00 32.58 28.84 2kcz s HIS 151 CO 0.23 -0.80 1.21 -1.58 -2.00 0.00 0.00 174.74 171.80 2kcz s HIS 152 N 0.36 3.26 0.00 0.38 2.46 -1.26 -4.35 115.29 116.14 2kcz s HIS 152 Ca 0.16 1.22 0.00 0.00 0.47 0.00 0.00 55.06 56.91 2kcz s HIS 152 Cb -0.24 -3.43 0.00 0.00 -0.13 0.00 0.00 32.58 28.78 2kcz s HIS 152 CO -0.03 -1.37 0.00 1.58 -2.47 0.00 0.00 174.74 172.45 2kcz n HIS 153 N 4.72 0.00 0.00 3.88 -0.00 -1.26 -4.96 115.22 117.60 2kcz n HIS 153 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 2kcz n HIS 153 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 2kcz n HIS 153 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kcz n HIS 154 N 0.00 0.00 -0.95 1.57 -0.00 -1.26 -5.34 115.22 109.24 2kcz n HIS 154 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kcz n HIS 154 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kcz n HIS 154 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38