#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 0.65 3.31 3.03 0.00 -1.26 -5.06 105.19 105.87 2kcz n GLY 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.72 2.55 -0.13 1.61 2.02 -1.26 -4.47 118.70 118.30 2kcz s GLU 3 Ca 0.00 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.08 2kcz s GLU 3 Cb 0.00 -2.21 0.06 0.00 0.10 0.00 0.00 34.13 32.08 2kcz s GLU 3 CO 0.00 0.43 0.28 0.99 0.02 0.00 0.00 175.26 176.98 2kcz s THR 4 N -0.27 -0.36 -0.60 3.63 2.01 -0.77 -5.03 115.64 114.26 2kcz s THR 4 Ca -0.00 0.24 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 2kcz s THR 4 Cb -0.13 -0.46 0.15 0.00 0.01 0.00 0.00 72.50 72.07 2kcz s THR 4 CO 0.03 0.10 0.53 -0.69 -0.69 0.00 0.00 174.62 173.90 2kcz s VAL 5 N 2.19 5.04 0.27 3.82 1.01 -1.26 -2.85 120.40 128.62 2kcz s VAL 5 Ca -0.01 -1.85 -0.28 0.00 0.00 0.00 0.00 61.98 59.83 2kcz s VAL 5 Cb -0.12 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 2kcz s VAL 5 CO -0.09 -0.89 0.94 0.54 0.00 0.00 0.00 175.10 175.60 2kcz s VAL 6 N 1.14 4.13 -0.12 2.92 0.11 -1.17 -4.86 120.40 122.55 2kcz s VAL 6 Ca 0.08 1.98 -0.02 0.00 -2.93 0.00 0.00 61.98 61.09 2kcz s VAL 6 Cb -0.24 -4.21 0.04 0.00 -1.53 0.00 0.00 36.38 30.44 2kcz s VAL 6 CO -0.01 0.37 0.01 -0.60 -3.33 0.00 0.00 175.10 171.54 2kcz s ARG 7 N -1.51 0.69 0.26 1.54 3.00 -1.26 -3.14 118.95 118.55 2kcz s ARG 7 Ca 0.44 -0.10 -0.03 0.00 -1.00 0.00 0.00 55.73 55.04 2kcz s ARG 7 Cb -0.23 -1.41 -0.02 0.00 0.00 0.00 0.00 34.95 33.29 2kcz s ARG 7 CO 0.29 -0.42 0.31 0.34 0.00 0.00 0.00 175.30 175.82 2kcz s ASP 8 N 1.91 0.46 -0.05 -2.12 -1.08 -0.98 -4.98 116.67 109.83 2kcz s ASP 8 Ca 0.03 -1.34 0.00 0.00 -0.52 0.00 0.00 52.55 50.72 2kcz s ASP 8 Cb -0.14 0.52 0.02 0.00 -1.46 0.00 0.00 42.92 41.86 2kcz s ASP 8 CO -0.06 -1.04 -0.03 0.00 0.52 0.00 0.00 175.17 174.55 2kcz s ALA 9 N -3.79 0.71 -0.06 3.66 0.00 -1.26 -0.45 121.76 120.56 2kcz s ALA 9 Ca 0.33 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.25 2kcz s ALA 9 Cb 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2kcz s ALA 9 CO 0.15 -0.15 -0.23 0.14 0.00 0.00 0.00 175.76 175.67 2kcz s VAL 10 N 1.23 1.88 -0.20 0.00 -7.23 -0.65 -4.90 120.40 110.53 2kcz s VAL 10 Ca -0.06 -0.96 -0.04 0.00 -1.81 0.00 0.00 61.98 59.11 2kcz s VAL 10 Cb -0.14 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 2kcz s VAL 10 CO -0.02 0.53 -0.02 0.28 -0.31 0.00 0.00 175.10 175.55 2kcz s THR 11 N -0.00 3.69 0.14 5.32 -1.32 -1.26 -0.11 115.64 122.10 2kcz s THR 11 Ca -0.07 -0.40 0.10 0.00 -1.21 0.00 0.00 61.69 60.12 2kcz s THR 11 Cb -0.14 -2.67 -0.04 0.00 -1.51 0.00 0.00 72.50 68.14 2kcz s THR 11 CO 0.04 0.43 -0.23 -0.63 -2.21 0.00 0.00 174.62 172.02 2kcz s ILE 12 N 1.13 2.48 -0.94 5.08 1.09 -0.95 -4.86 121.20 124.23 2kcz s ILE 12 Ca 0.02 -1.74 0.00 0.00 -1.10 0.00 0.00 60.65 57.83 2kcz s ILE 12 Cb -0.15 -2.14 0.00 0.00 -1.06 0.00 0.00 42.46 39.12 2kcz s ILE 12 CO 0.00 0.04 0.34 0.61 -0.10 0.00 0.00 174.94 175.84 2kcz n GLY 13 N 0.71 0.98 3.84 6.18 0.00 -1.14 -1.51 105.19 114.25 2kcz n GLY 13 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.91 4.02 0.15 1.61 1.02 -1.26 -4.08 119.74 120.29 2kcz s LYS 14 Ca 0.00 0.55 -0.29 0.00 0.02 0.00 0.00 55.97 56.25 2kcz s LYS 14 Cb 0.00 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 2kcz s LYS 14 CO 0.00 0.50 1.56 -1.35 -0.92 0.00 0.00 175.35 175.14 2kcz h PRO 15 N 3.72 -0.30 0.00 -1.68 0.11 -1.96 -3.33 132.00 128.56 2kcz h PRO 15 Ca -0.49 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kcz h PRO 15 Cb 1.20 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2kcz h PRO 15 CO 0.65 -0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.24 2kcz n ALA 16 N -3.11 0.00 -0.23 -0.75 0.00 -1.26 -4.58 120.51 110.58 2kcz n ALA 16 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 2kcz n ALA 16 Cb 0.35 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.16 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 0.71 -0.01 0.00 4.81 -1.90 -0.25 114.58 117.95 2kcz h GLU 17 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2kcz h GLU 17 Cb 0.00 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2kcz h GLU 17 CO 0.00 0.47 -0.20 0.00 -0.73 0.00 0.00 179.01 178.55 2kcz n GLN 18 N -4.51 0.71 -0.03 1.92 0.00 -1.26 -3.78 117.38 110.42 2kcz n GLN 18 Ca 0.14 -0.35 -0.13 0.00 0.00 0.00 0.00 57.00 56.67 2kcz n GLN 18 Cb 0.35 -1.49 -0.08 0.00 0.00 0.00 0.00 30.24 29.02 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 0.84 0.19 -0.87 2.61 3.38 -1.39 -3.18 115.31 116.89 2kcz h LEU 19 Ca 0.00 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2kcz h LEU 19 Cb 0.45 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2kcz h LEU 19 CO 0.00 0.58 -0.30 0.10 0.09 0.00 0.00 178.44 178.91 2kcz h TYR 20 N -0.19 0.00 0.00 1.13 -0.00 -1.67 -2.69 116.97 113.55 2kcz h TYR 20 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 2kcz h TYR 20 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.24 2kcz h TYR 20 CO 0.07 0.30 0.00 0.00 -0.00 0.00 0.00 178.16 178.53 2kcz n ALA 21 N -2.24 2.31 0.26 0.10 0.00 -1.22 -3.94 120.51 115.79 2kcz n ALA 21 Ca 0.00 -0.13 0.17 0.00 0.00 0.00 0.00 53.44 53.49 2kcz n ALA 21 Cb 0.50 -1.39 0.84 0.00 0.00 0.00 0.00 19.45 19.39 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 0.15 0.00 0.00 3.04 -1.46 0.10 116.25 118.08 2kcz h VAL 22 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2kcz h VAL 22 Cb 0.12 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 2kcz h VAL 22 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.57 173.89 2kcz n TRP 23 N -3.21 0.00 -4.36 3.17 4.27 -1.25 -4.76 117.44 111.30 2kcz n TRP 23 Ca 0.01 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.40 2kcz n TRP 23 Cb 0.40 -0.49 -0.08 0.00 -1.36 0.00 0.00 31.31 29.78 2kcz n TRP 23 CO 0.00 0.00 0.00 0.50 -2.29 0.00 0.00 177.69 175.90 2kcz s ARG 24 N -2.98 1.83 0.00 -2.67 3.52 0.35 -5.01 118.95 113.98 2kcz s ARG 24 Ca 0.06 -2.08 0.00 0.00 -0.13 0.00 0.00 55.73 53.58 2kcz s ARG 24 Cb 0.08 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 2kcz s ARG 24 CO 0.22 -0.61 0.15 -3.47 -0.81 0.00 0.00 175.30 170.78 2kcz n ASP 25 N -1.51 0.04 -2.43 -2.12 2.03 -1.26 -4.81 116.55 106.49 2kcz n ASP 25 Ca 0.03 -0.34 -0.02 0.00 0.52 0.00 0.00 54.79 54.98 2kcz n ASP 25 Cb 0.63 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 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 -0.26 -6.39 -4.63 -2.67 4.77 -1.25 -4.85 117.00 101.71 2kcz n LEU 26 Ca 0.00 0.80 -0.44 0.00 -0.03 0.00 0.00 56.01 56.34 2kcz n LEU 26 Cb 0.01 -2.74 -0.03 0.00 -2.33 0.00 0.00 43.42 38.33 2kcz n LEU 26 CO 0.00 -2.12 1.70 -2.65 -1.33 0.00 0.00 177.39 173.00 2kcz n PRO 27 N 0.18 2.33 -2.55 3.23 -0.02 -1.26 -4.91 135.00 132.00 2kcz n PRO 27 Ca 0.03 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.86 2kcz n PRO 27 Cb 0.13 -3.03 0.01 0.00 -0.02 0.00 0.00 33.50 30.58 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 5.14 4.75 2.87 -1.23 0.00 -1.26 -4.80 105.19 110.65 2kcz n GLY 28 Ca 0.25 -2.23 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 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 3.38 4.29 0.00 0.99 -0.00 -1.26 -5.05 117.00 119.34 2kcz n LEU 29 Ca 0.36 -5.64 0.00 0.00 -0.00 0.00 0.00 56.01 50.73 2kcz n LEU 29 Cb 0.36 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 2kcz n LEU 29 CO 0.78 2.33 0.00 -0.81 -0.00 0.00 0.00 177.39 179.69 2kcz n PRO 30 N -0.14 1.44 0.00 1.47 -0.05 -1.26 -4.69 135.00 131.76 2kcz n PRO 30 Ca 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.76 2kcz n PRO 30 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.85 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 0.00 0.00 -2.91 1.53 4.32 -1.26 -4.81 117.00 113.88 2kcz n LEU 31 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 2kcz n LEU 31 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2kcz n LEU 31 CO 0.00 0.00 -0.01 0.18 -1.22 0.00 0.00 177.39 176.34 2kcz n LEU 32 N 0.00 -7.45 -4.21 2.23 4.77 -1.26 -5.02 117.00 106.06 2kcz n LEU 32 Ca 0.00 0.52 -0.35 0.00 -0.03 0.00 0.00 56.01 56.15 2kcz n LEU 32 Cb 0.00 -3.23 -0.14 0.00 -2.33 0.00 0.00 43.42 37.72 2kcz n LEU 32 CO 0.00 -2.19 -0.36 -0.32 -1.33 0.00 0.00 177.39 173.19 2kcz s MET 33 N -2.54 2.63 0.24 3.23 1.75 -1.26 -5.02 119.30 118.34 2kcz s MET 33 Ca 0.25 -1.13 -0.08 0.00 -1.25 0.00 0.00 55.69 53.48 2kcz s MET 33 Cb -0.06 -3.16 0.42 0.00 2.84 0.00 0.00 34.83 34.87 2kcz s MET 33 CO 0.78 -0.54 1.63 0.00 -0.65 0.00 0.00 175.02 176.24 2kcz h THR 34 N 6.28 0.32 0.00 10.11 1.03 -1.95 -3.44 112.91 125.26 2kcz h THR 34 Ca -0.26 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 2kcz h THR 34 Cb 1.08 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 68.39 2kcz h THR 34 CO 0.56 0.02 0.00 1.57 -0.01 0.00 0.00 175.52 177.65 2kcz n HIS 35 N -5.37 0.00 -1.08 0.00 -0.00 -1.26 -2.21 115.22 105.30 2kcz n HIS 35 Ca 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.82 2kcz n HIS 35 Cb 0.46 -1.13 -0.01 0.00 -0.00 0.00 0.00 29.99 29.31 2kcz n HIS 35 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2kcz n LEU 36 N 0.00 0.38 -3.55 0.27 4.32 -1.26 -4.91 117.00 112.25 2kcz n LEU 36 Ca 0.00 0.07 -0.07 0.00 -0.02 0.00 0.00 56.01 56.00 2kcz n LEU 36 Cb 0.09 -2.01 -0.02 0.00 -1.62 0.00 0.00 43.42 39.85 2kcz n LEU 36 CO 0.00 -0.74 0.78 0.00 -1.22 0.00 0.00 177.39 176.21 2kcz s ARG 37 N -1.81 0.71 3.46 3.23 1.70 -0.94 -5.15 118.95 120.15 2kcz s ARG 37 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 55.73 54.98 2kcz s ARG 37 Cb 0.00 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2kcz s ARG 37 CO 0.00 -0.31 0.00 0.43 -1.08 0.00 0.00 175.30 174.34 2kcz n SER 38 N -0.23 -1.24 -0.42 -2.89 7.64 -1.26 -4.89 113.62 110.32 2kcz n SER 38 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2kcz n SER 38 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2kcz n SER 38 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2kcz n VAL 39 N 0.00 -2.13 -2.21 0.44 0.31 -1.26 -5.02 118.33 108.46 2kcz n VAL 39 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 64.34 64.96 2kcz n VAL 39 Cb 0.00 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 2kcz n VAL 39 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2kcz n GLU 40 N -0.78 1.96 -1.99 5.55 2.13 -1.26 -5.01 120.64 121.25 2kcz n GLU 40 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2kcz n GLU 40 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 2kcz n GLU 40 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2kcz s VAL 41 N 1.35 2.55 0.08 6.31 1.01 -1.26 -4.59 120.40 125.86 2kcz s VAL 41 Ca 0.00 0.37 -0.35 0.00 0.00 0.00 0.00 61.98 61.99 2kcz s VAL 41 Cb 0.00 -3.16 -0.17 0.00 0.00 0.00 0.00 36.38 33.05 2kcz s VAL 41 CO 0.00 -0.05 1.57 -0.07 0.00 0.00 0.00 175.10 176.55 2kcz h LEU 42 N 1.11 -1.26 -7.99 3.92 -0.00 -1.85 -3.48 115.31 105.76 2kcz h LEU 42 Ca -0.50 0.09 0.01 0.00 -0.00 0.00 0.00 57.88 57.48 2kcz h LEU 42 Cb 1.29 0.40 -0.01 0.00 -0.00 0.00 0.00 40.66 42.35 2kcz h LEU 42 CO 0.56 -0.67 0.29 1.51 -0.00 0.00 0.00 178.44 180.14 2kcz s ASP 43 N -4.34 -0.03 0.00 -0.43 1.47 -1.26 -4.92 116.67 107.15 2kcz s ASP 43 Ca -0.18 -1.03 0.00 0.00 1.18 0.00 0.00 52.55 52.52 2kcz s ASP 43 Cb 0.04 0.81 0.00 0.00 -0.34 0.00 0.00 42.92 43.43 2kcz s ASP 43 CO 0.61 -1.58 0.65 0.47 0.68 0.00 0.00 175.17 175.99 2kcz n ASP 44 N -1.26 0.45 -0.02 2.11 9.92 -1.26 -3.55 116.55 122.95 2kcz n ASP 44 Ca -0.07 -1.74 -0.21 0.00 -0.53 0.00 0.00 54.79 52.24 2kcz n ASP 44 Cb 0.60 -0.23 -0.13 0.00 -0.64 0.00 0.00 41.12 40.72 2kcz n ASP 44 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2kcz h LYS 45 N 0.07 0.18 -4.13 -1.24 1.57 -1.95 -3.49 116.57 107.58 2kcz h LYS 45 Ca 0.00 -0.31 -0.15 0.00 -1.87 0.00 0.00 60.65 58.32 2kcz h LYS 45 Cb 0.23 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.52 2kcz h LYS 45 CO 0.00 1.15 -0.42 -0.98 -0.57 0.00 0.00 179.45 178.63 2kcz s ARG 46 N -2.43 1.22 0.31 3.15 3.03 -1.23 -4.27 118.95 118.73 2kcz s ARG 46 Ca -0.21 -1.37 -0.04 0.00 2.03 0.00 0.00 55.73 56.14 2kcz s ARG 46 Cb 0.04 0.34 -0.05 0.00 -1.03 0.00 0.00 34.95 34.26 2kcz s ARG 46 CO 0.73 -0.44 0.56 -1.12 -1.13 0.00 0.00 175.30 173.91 2kcz s SER 47 N -3.05 6.40 0.30 -2.89 0.01 -1.26 -4.58 113.70 108.62 2kcz s SER 47 Ca 0.26 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.18 2kcz s SER 47 Cb 0.04 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2kcz s SER 47 CO 0.06 -0.24 0.00 -1.14 0.41 0.00 0.00 173.24 172.33 2kcz n ARG 48 N -1.20 -1.97 -2.90 12.44 0.63 -1.26 -4.73 116.66 117.66 2kcz n ARG 48 Ca -0.02 1.54 -0.43 0.00 -0.92 0.00 0.00 57.85 58.02 2kcz n ARG 48 Cb 0.54 -1.97 -0.04 0.00 0.45 0.00 0.00 32.46 31.44 2kcz n ARG 48 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 2kcz s TRP 49 N -4.52 2.81 0.00 -0.14 -2.14 -1.26 -4.28 118.94 109.40 2kcz s TRP 49 Ca 0.00 -0.28 0.00 0.00 2.66 0.00 0.00 56.10 58.48 2kcz s TRP 49 Cb 0.00 -4.04 0.00 0.00 -3.10 0.00 0.00 33.47 26.33 2kcz s TRP 49 CO 0.00 -1.38 0.00 0.25 -2.66 0.00 0.00 176.95 173.16 2kcz n THR 50 N 6.00 0.00 -0.72 0.66 -2.24 -1.26 -5.04 114.28 111.68 2kcz n THR 50 Ca -0.02 0.23 0.07 0.00 -2.27 0.00 0.00 64.05 62.07 2kcz n THR 50 Cb 0.46 -1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 67.49 2kcz n THR 50 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2kcz n VAL 51 N -2.24 0.00 -3.46 2.28 0.24 -1.26 -4.92 118.33 108.97 2kcz n VAL 51 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2kcz n VAL 51 Cb 0.00 -0.17 0.06 0.00 -1.47 0.00 0.00 33.84 32.25 2kcz n VAL 51 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2kcz n GLU 52 N -1.85 -1.98 -3.33 7.34 2.13 -1.26 -3.87 120.64 117.82 2kcz n GLU 52 Ca 0.00 0.68 -0.18 0.00 0.66 0.00 0.00 57.16 58.32 2kcz n GLU 52 Cb 0.23 -5.07 0.01 0.00 0.27 0.00 0.00 31.44 26.88 2kcz n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kcz n ALA 53 N -3.70 -2.65 -2.15 4.31 0.00 -1.26 -5.01 120.51 110.05 2kcz n ALA 53 Ca -0.09 0.28 -0.19 0.00 0.00 0.00 0.00 53.44 53.43 2kcz n ALA 53 Cb 0.61 -1.98 0.14 0.00 0.00 0.00 0.00 19.45 18.22 2kcz n ALA 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kcz n PRO 54 N -1.29 -0.59 -3.86 0.00 -0.04 -1.25 -5.07 135.00 122.90 2kcz n PRO 54 Ca -0.08 -2.02 -0.29 0.00 -0.04 0.00 0.00 63.50 61.07 2kcz n PRO 54 Cb 0.59 -0.88 -0.13 0.00 -0.04 0.00 0.00 33.50 33.04 2kcz n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kcz s ALA 55 N -3.57 3.23 -0.04 0.55 0.00 -1.26 -4.93 121.76 115.74 2kcz s ALA 55 Ca 0.60 -3.36 -0.22 0.00 0.00 0.00 0.00 51.96 48.98 2kcz s ALA 55 Cb -0.02 -2.09 -0.27 0.00 0.00 0.00 0.00 23.12 20.74 2kcz s ALA 55 CO 0.41 -2.05 0.98 -1.35 0.00 0.00 0.00 175.76 173.75 2kcz h PRO 56 N 6.04 0.28 0.00 0.00 0.11 -1.99 -3.42 132.00 133.02 2kcz h PRO 56 Ca 0.04 -0.37 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 2kcz h PRO 56 Cb 0.84 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2kcz h PRO 56 CO 0.65 1.10 -1.50 1.47 -0.21 0.00 0.00 178.00 179.51 2kcz n LEU 57 N -4.29 0.00 -4.59 2.35 -0.00 -1.26 -2.09 117.00 107.12 2kcz n LEU 57 Ca -0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.47 2kcz n LEU 57 Cb 0.67 0.16 -0.02 0.00 -0.00 0.00 0.00 43.42 44.23 2kcz n LEU 57 CO 0.45 0.16 1.33 -0.83 -0.00 0.00 0.00 177.39 178.50 2kcz s GLY 58 N -3.81 0.94 -0.29 1.47 0.00 -1.26 -2.24 107.32 102.12 2kcz s GLY 58 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.51 2kcz s GLY 58 CO 0.32 2.93 0.00 0.00 0.00 0.00 0.00 173.10 176.34 2kcz n ALA 59 N 9.51 -0.04 0.03 3.20 0.00 -1.26 -4.73 120.51 127.22 2kcz n ALA 59 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2kcz n ALA 59 Cb 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2kcz n ALA 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kcz n VAL 60 N -2.59 0.15 -2.25 0.00 0.31 -1.15 -5.04 118.33 107.76 2kcz n VAL 60 Ca -0.03 0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.17 2kcz n VAL 60 Cb 0.26 -0.57 -0.02 0.00 -0.91 0.00 0.00 33.84 32.60 2kcz n VAL 60 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kcz n SER 61 N -2.79 -5.22 -0.00 4.52 7.64 -0.89 -4.85 113.62 112.02 2kcz n SER 61 Ca 0.00 0.03 0.07 0.00 1.01 0.00 0.00 58.87 59.98 2kcz n SER 61 Cb 0.00 -4.30 -0.10 0.00 -1.01 0.00 0.00 64.21 58.80 2kcz n SER 61 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2kcz n TRP 62 N -3.85 0.00 -2.36 1.43 -0.00 -1.19 -3.35 117.44 108.12 2kcz n TRP 62 Ca -0.21 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.03 2kcz n TRP 62 Cb 0.65 -0.19 0.04 0.00 -0.00 0.00 0.00 31.31 31.81 2kcz n TRP 62 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 2kcz s GLU 63 N -2.73 2.81 -0.13 5.87 2.56 -1.21 -4.83 118.70 121.03 2kcz s GLU 63 Ca -0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 54.97 54.75 2kcz s GLU 63 Cb 0.10 -2.26 -0.04 0.00 2.00 0.00 0.00 34.13 33.93 2kcz s GLU 63 CO 0.60 -0.78 0.43 0.00 -0.56 0.00 0.00 175.26 174.94 2kcz s ALA 64 N -3.03 3.51 -0.10 6.30 0.00 -1.26 -3.49 121.76 123.69 2kcz s ALA 64 Ca 0.55 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 2kcz s ALA 64 Cb -0.11 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 2kcz s ALA 64 CO 0.45 0.00 -0.08 -2.00 0.00 0.00 0.00 175.76 174.13 2kcz s GLU 65 N 0.63 3.06 -0.20 0.00 -6.30 -1.04 -4.27 118.70 110.58 2kcz s GLU 65 Ca 0.23 -0.58 -0.07 0.00 -2.50 0.00 0.00 54.97 52.05 2kcz s GLU 65 Cb -0.15 -2.65 -0.04 0.00 0.00 0.00 0.00 34.13 31.30 2kcz s GLU 65 CO 0.08 0.48 0.06 -0.51 0.02 0.00 0.00 175.26 175.39 2kcz s LEU 66 N -0.31 3.68 0.03 2.70 1.02 -1.26 -1.37 118.68 123.17 2kcz s LEU 66 Ca 0.04 -0.01 0.23 0.00 0.02 0.00 0.00 54.13 54.41 2kcz s LEU 66 Cb -0.13 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.13 2kcz s LEU 66 CO 0.02 0.12 0.98 1.07 0.02 0.00 0.00 176.35 178.56 2kcz n THR 67 N 3.91 0.11 -4.80 5.49 5.66 -1.12 -4.84 114.28 118.70 2kcz n THR 67 Ca -0.16 -0.20 -0.30 0.00 -3.05 0.00 0.00 64.05 60.34 2kcz n THR 67 Cb 0.52 0.35 -0.17 0.00 -1.55 0.00 0.00 70.33 69.48 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 -3.17 1.85 -0.41 1.79 0.00 -1.16 -5.00 121.76 115.66 2kcz s ALA 68 Ca 0.04 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2kcz s ALA 68 Cb 0.15 -0.79 0.16 0.00 0.00 0.00 0.00 23.12 22.63 2kcz s ALA 68 CO 0.82 0.11 0.29 0.34 0.00 0.00 0.00 175.76 177.31 2kcz s ASP 69 N 0.65 2.40 -0.06 0.00 2.15 -1.26 -3.93 116.67 116.63 2kcz s ASP 69 Ca -0.13 -2.73 -0.01 0.00 0.43 0.00 0.00 52.55 50.12 2kcz s ASP 69 Cb -0.16 -0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 41.88 2kcz s ASP 69 CO 0.03 -0.23 0.00 -1.61 -0.17 0.00 0.00 175.17 173.20 2kcz s GLU 70 N 0.40 2.92 -0.80 4.34 0.41 -1.12 -5.04 118.70 119.81 2kcz s GLU 70 Ca 0.25 -0.48 -0.25 0.00 -0.41 0.00 0.00 54.97 54.08 2kcz s GLU 70 Cb -0.10 -2.75 -0.03 0.00 -1.78 0.00 0.00 34.13 29.47 2kcz s GLU 70 CO -0.10 0.68 1.88 -2.14 -0.49 0.00 0.00 175.26 175.09 2kcz s PRO 71 N -1.13 2.64 -1.45 0.39 0.02 -1.26 -3.45 135.00 130.76 2kcz s PRO 71 Ca 0.16 -0.00 -0.10 0.00 0.02 0.00 0.00 61.00 61.07 2kcz s PRO 71 Cb -0.11 -4.81 0.04 0.00 0.02 0.00 0.00 34.50 29.64 2kcz s PRO 71 CO 0.05 -3.07 0.98 0.41 -0.33 0.00 0.00 177.00 175.04 2kcz n GLY 72 N 6.41 -0.52 0.89 0.52 0.00 -1.26 -4.85 105.19 106.37 2kcz n GLY 72 Ca 0.32 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2kcz n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kcz n LYS 73 N -4.66 0.00 -3.55 1.61 4.81 -1.22 -4.81 118.16 110.34 2kcz n LYS 73 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 2kcz n LYS 73 Cb 0.55 -0.48 -0.06 0.00 0.02 0.00 0.00 35.03 35.06 2kcz n LYS 73 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2kcz s ARG 74 N -1.86 1.00 -0.13 1.64 1.70 -1.26 0.41 118.95 120.45 2kcz s ARG 74 Ca 0.00 0.43 -0.05 0.00 -0.47 0.00 0.00 55.73 55.64 2kcz s ARG 74 Cb 0.00 0.48 0.07 0.00 -0.57 0.00 0.00 34.95 34.92 2kcz s ARG 74 CO 0.00 -0.27 0.28 0.96 -1.08 0.00 0.00 175.30 175.18 2kcz s ILE 75 N -0.82 -0.42 -0.18 4.99 -4.36 0.35 -2.78 121.20 117.98 2kcz s ILE 75 Ca -0.08 0.26 0.01 0.00 -0.26 0.00 0.00 60.65 60.58 2kcz s ILE 75 Cb -0.01 -0.46 0.02 0.00 1.25 0.00 0.00 42.46 43.26 2kcz s ILE 75 CO 0.08 0.11 -0.20 0.00 0.24 0.00 0.00 174.94 175.17 2kcz s ALA 76 N 2.38 2.31 -0.03 2.27 0.00 -1.25 -1.44 121.76 125.99 2kcz s ALA 76 Ca 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 2kcz s ALA 76 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2kcz s ALA 76 CO -0.09 -0.34 0.20 1.67 0.00 0.00 0.00 175.76 177.19 2kcz s TRP 77 N 1.29 3.57 0.32 0.00 -2.14 -1.20 -2.77 118.94 118.00 2kcz s TRP 77 Ca 0.05 0.45 0.04 0.00 2.66 0.00 0.00 56.10 59.30 2kcz s TRP 77 Cb -0.13 -1.90 -0.03 0.00 -3.10 0.00 0.00 33.47 28.31 2kcz s TRP 77 CO -0.13 0.66 0.18 -0.98 -2.66 0.00 0.00 176.95 174.03 2kcz s ARG 78 N -1.68 1.66 0.07 3.25 1.70 -0.47 -3.95 118.95 119.53 2kcz s ARG 78 Ca 0.25 -1.96 0.04 0.00 -0.47 0.00 0.00 55.73 53.59 2kcz s ARG 78 Cb -0.13 -0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.18 2kcz s ARG 78 CO 0.15 -0.50 -0.11 -1.12 -1.08 0.00 0.00 175.30 172.64 2kcz s SER 79 N -3.39 1.37 0.73 -2.89 0.01 -1.26 -2.50 113.70 105.77 2kcz s SER 79 Ca 0.35 -0.68 -0.13 0.00 1.31 0.00 0.00 55.95 56.81 2kcz s SER 79 Cb 0.04 -0.00 0.04 0.00 0.21 0.00 0.00 66.02 66.30 2kcz s SER 79 CO 0.19 -0.18 1.12 -0.76 0.41 0.00 0.00 173.24 174.02 2kcz s LEU 80 N -1.98 3.22 0.64 2.44 1.43 -1.23 -4.86 118.68 118.36 2kcz s LEU 80 Ca -0.01 2.01 0.35 0.00 -1.03 0.00 0.00 54.13 55.45 2kcz s LEU 80 Cb -0.07 -4.55 1.94 0.00 0.03 0.00 0.00 46.19 43.54 2kcz s LEU 80 CO 0.01 -1.97 2.14 -0.65 0.23 0.00 0.00 176.35 176.11 2kcz h PRO 81 N -0.53 0.00 -0.62 1.29 0.11 -1.94 0.73 132.00 131.04 2kcz h PRO 81 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kcz h PRO 81 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kcz h PRO 81 CO 0.52 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.72 2kcz n GLY 82 N -1.22 1.98 2.96 -0.55 0.00 -1.21 -4.89 105.19 102.24 2kcz n GLY 82 Ca -0.01 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 2kcz n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcz s ALA 83 N -1.30 0.33 -0.34 4.61 0.00 0.25 -4.74 121.76 120.58 2kcz s ALA 83 Ca 0.42 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.15 2kcz s ALA 83 Cb 0.23 -0.04 0.45 0.00 0.00 0.00 0.00 23.12 23.76 2kcz s ALA 83 CO 0.27 0.04 1.22 2.89 0.00 0.00 0.00 175.76 180.18 2kcz n ARG 84 N 2.65 3.54 -2.54 0.00 -4.01 -1.26 -4.42 116.66 110.62 2kcz n ARG 84 Ca -0.15 -4.18 -0.43 0.00 -1.04 0.00 0.00 57.85 52.05 2kcz n ARG 84 Cb 0.58 -2.28 -0.02 0.00 -3.04 0.00 0.00 32.46 27.70 2kcz n ARG 84 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 2kcz s ILE 85 N -4.78 4.42 0.32 8.89 -1.09 -1.26 -4.86 121.20 122.84 2kcz s ILE 85 Ca 0.51 1.68 0.00 0.00 -2.23 0.00 0.00 60.65 60.61 2kcz s ILE 85 Cb 0.41 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 2kcz s ILE 85 CO -0.01 -0.29 0.00 1.21 -1.23 0.00 0.00 174.94 174.62 2kcz n GLU 86 N 6.72 -1.96 -2.36 2.79 4.07 -1.26 -4.79 120.64 123.85 2kcz n GLU 86 Ca 0.13 1.56 -0.41 0.00 -0.06 0.00 0.00 57.16 58.38 2kcz n GLU 86 Cb 0.46 -2.06 -0.03 0.00 -0.06 0.00 0.00 31.44 29.74 2kcz n GLU 86 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2kcz s ASN 87 N -4.90 7.08 0.06 4.31 -0.87 -1.26 -5.01 114.94 114.35 2kcz s ASN 87 Ca 0.00 2.28 -0.09 0.00 -1.57 0.00 0.00 52.86 53.48 2kcz s ASN 87 Cb 0.00 -2.61 -0.06 0.00 -0.02 0.00 0.00 41.25 38.56 2kcz s ASN 87 CO 0.00 -0.36 0.37 -0.44 -2.57 0.00 0.00 177.10 174.10 2kcz s SER 88 N -0.02 6.61 0.00 -1.22 0.01 -1.26 -4.82 113.70 113.00 2kcz s SER 88 Ca 0.52 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.51 2kcz s SER 88 Cb -0.33 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2kcz s SER 88 CO 0.38 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.83 2kcz n GLY 89 N 0.95 1.01 3.05 3.44 0.00 -1.25 -1.93 105.19 110.46 2kcz n GLY 89 Ca -0.09 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2kcz n GLY 89 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kcz s GLU 90 N -0.88 0.21 -0.07 1.61 2.12 -1.17 -3.27 118.70 117.25 2kcz s GLU 90 Ca 0.00 0.34 0.06 0.00 0.36 0.00 0.00 54.97 55.72 2kcz s GLU 90 Cb 0.00 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.41 2kcz s GLU 90 CO 0.00 -0.07 -0.25 0.14 -0.54 0.00 0.00 175.26 174.54 2kcz s VAL 91 N 0.46 2.03 -0.07 3.70 -7.23 -0.52 -3.79 120.40 114.99 2kcz s VAL 91 Ca -0.03 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 2kcz s VAL 91 Cb -0.04 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 2kcz s VAL 91 CO -0.02 0.56 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.44 2kcz s LEU 92 N -0.05 2.77 -0.41 1.32 1.02 -1.21 -0.50 118.68 121.62 2kcz s LEU 92 Ca -0.07 -0.21 -0.11 0.00 0.02 0.00 0.00 54.13 53.76 2kcz s LEU 92 Cb -0.15 -1.58 0.06 0.00 0.02 0.00 0.00 46.19 44.54 2kcz s LEU 92 CO 0.05 0.30 0.26 -0.36 0.02 0.00 0.00 176.35 176.61 2kcz s PHE 93 N -0.46 3.29 0.05 0.29 0.08 0.16 -2.11 117.98 119.28 2kcz s PHE 93 Ca 0.06 -1.24 0.08 0.00 0.12 0.00 0.00 56.93 55.94 2kcz s PHE 93 Cb -0.12 -2.78 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 2kcz s PHE 93 CO 0.02 -0.77 -0.20 1.03 -0.10 0.00 0.00 175.22 175.20 2kcz s ARG 94 N 1.50 1.97 0.30 0.44 0.52 -0.42 -4.71 118.95 118.55 2kcz s ARG 94 Ca 0.03 -1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 53.91 2kcz s ARG 94 Cb -0.22 -2.13 -0.11 0.00 0.52 0.00 0.00 34.95 33.01 2kcz s ARG 94 CO 0.04 0.53 1.54 -1.25 0.02 0.00 0.00 175.30 176.18 2kcz s PRO 95 N -1.45 4.16 -0.04 3.54 0.04 -1.26 0.21 135.00 140.20 2kcz s PRO 95 Ca 0.14 2.51 -0.01 0.00 0.04 0.00 0.00 61.00 63.68 2kcz s PRO 95 Cb -0.10 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2kcz s PRO 95 CO 0.05 -0.56 0.06 0.00 0.04 0.00 0.00 177.00 176.58 2kcz s ALA 96 N -0.20 3.50 0.61 8.56 0.00 -1.21 -4.74 121.76 128.28 2kcz s ALA 96 Ca 0.60 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 2kcz s ALA 96 Cb -0.46 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 2kcz s ALA 96 CO 0.49 0.65 1.23 -2.14 0.00 0.00 0.00 175.76 175.99 2kcz s PRO 97 N -1.42 2.84 -0.02 0.00 0.02 -1.26 -3.13 135.00 132.03 2kcz s PRO 97 Ca 0.19 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.08 2kcz s PRO 97 Cb -0.12 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2kcz s PRO 97 CO 0.09 -1.32 0.00 0.41 -0.33 0.00 0.00 177.00 175.85 2kcz n GLY 98 N 0.58 0.45 3.10 0.52 0.00 -1.26 -3.39 105.19 105.20 2kcz n GLY 98 Ca 0.14 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 1.00 -1.00 -0.28 4.61 0.00 -1.18 -4.88 120.51 118.78 2kcz n ALA 99 Ca -0.00 0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.70 2kcz n ALA 99 Cb 0.06 -3.66 0.22 0.00 0.00 0.00 0.00 19.45 16.07 2kcz n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kcz h ARG 100 N -1.31 1.04 0.00 0.00 2.47 -1.67 -3.49 114.38 111.43 2kcz h ARG 100 Ca -0.51 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.15 2kcz h ARG 100 Cb 1.35 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2kcz h ARG 100 CO 0.56 0.69 0.00 0.41 0.56 0.00 0.00 179.97 182.19 2kcz n GLY 101 N -1.40 0.10 3.00 0.04 0.00 -1.26 -2.89 105.19 102.77 2kcz n GLY 101 Ca 0.12 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 1.10 -0.36 2.61 2.01 -0.57 -3.31 115.64 117.12 2kcz s THR 102 Ca 0.00 -0.43 -0.26 0.00 0.31 0.00 0.00 61.69 61.31 2kcz s THR 102 Cb 0.00 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.49 2kcz s THR 102 CO 0.00 0.35 0.92 -0.70 -0.69 0.00 0.00 174.62 174.51 2kcz s GLU 103 N 0.88 3.85 -0.34 4.92 2.12 0.13 -2.25 118.70 128.02 2kcz s GLU 103 Ca -0.10 0.58 -0.13 0.00 0.36 0.00 0.00 54.97 55.67 2kcz s GLU 103 Cb -0.15 -3.80 -0.02 0.00 0.26 0.00 0.00 34.13 30.42 2kcz s GLU 103 CO 0.01 -0.94 0.28 0.54 -0.54 0.00 0.00 175.26 174.61 2kcz s VAL 104 N 3.45 5.25 -0.44 3.70 0.11 0.85 -1.31 120.40 132.01 2kcz s VAL 104 Ca 0.38 -0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 59.09 2kcz s VAL 104 Cb -0.12 -3.74 0.02 0.00 -1.53 0.00 0.00 36.38 31.02 2kcz s VAL 104 CO 0.18 -0.02 0.85 0.68 -3.33 0.00 0.00 175.10 173.47 2kcz s VAL 105 N 1.82 4.58 -0.24 2.04 -7.23 -0.90 -1.64 120.40 118.85 2kcz s VAL 105 Ca 0.08 0.64 -0.10 0.00 -1.81 0.00 0.00 61.98 60.79 2kcz s VAL 105 Cb -0.17 -4.36 -0.05 0.00 0.56 0.00 0.00 36.38 32.37 2kcz s VAL 105 CO 0.11 -0.73 0.15 -0.69 -0.31 0.00 0.00 175.10 173.63 2kcz s VAL 106 N 3.47 5.26 -0.15 1.32 1.01 0.40 -3.36 120.40 128.35 2kcz s VAL 106 Ca 0.33 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 2kcz s VAL 106 Cb -0.11 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.87 2kcz s VAL 106 CO 0.23 0.35 0.05 -0.60 0.00 0.00 0.00 175.10 175.14 2kcz s ARG 107 N 1.03 0.38 -0.03 2.72 3.52 -1.25 -2.31 118.95 123.02 2kcz s ARG 107 Ca 0.07 -0.12 0.05 0.00 -0.13 0.00 0.00 55.73 55.60 2kcz s ARG 107 Cb -0.13 -1.63 -0.03 0.00 -1.56 0.00 0.00 34.95 31.60 2kcz s ARG 107 CO 0.04 -0.55 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.29 2kcz s LEU 108 N 2.00 2.54 -0.24 -0.88 1.02 -1.19 -3.07 118.68 118.86 2kcz s LEU 108 Ca 0.02 -0.31 -0.25 0.00 0.02 0.00 0.00 54.13 53.61 2kcz s LEU 108 Cb -0.15 -1.49 -0.00 0.00 0.02 0.00 0.00 46.19 44.56 2kcz s LEU 108 CO -0.07 0.32 0.86 -0.89 0.02 0.00 0.00 176.35 176.59 2kcz s THR 109 N -0.74 4.82 -0.07 5.49 2.01 -0.81 -3.05 115.64 123.29 2kcz s THR 109 Ca 0.12 1.64 0.05 0.00 0.31 0.00 0.00 61.69 63.80 2kcz s THR 109 Cb -0.10 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 2kcz s THR 109 CO 0.01 -0.09 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.31 2kcz s TYR 110 N 2.88 2.38 -0.17 4.92 2.02 -1.13 -4.57 117.35 123.68 2kcz s TYR 110 Ca 0.36 -0.79 -0.28 0.00 -0.37 0.00 0.00 57.07 55.99 2kcz s TYR 110 Cb -0.15 -1.58 0.09 0.00 -0.40 0.00 0.00 41.96 39.92 2kcz s TYR 110 CO 0.07 -0.27 0.80 -0.98 -1.57 0.00 0.00 175.55 173.60 2kcz s ARG 111 N 0.02 0.83 0.61 -0.62 1.70 -1.26 -1.85 118.95 118.38 2kcz s ARG 111 Ca -0.08 0.52 -0.16 0.00 -0.47 0.00 0.00 55.73 55.54 2kcz s ARG 111 Cb -0.15 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.60 2kcz s ARG 111 CO 0.05 -0.20 1.08 -1.25 -1.08 0.00 0.00 175.30 173.90 2kcz s PRO 112 N -0.49 3.15 0.00 3.89 0.04 -1.26 -5.07 135.00 135.25 2kcz s PRO 112 Ca -0.04 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2kcz s PRO 112 Cb -0.02 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2kcz s PRO 112 CO 0.03 -0.96 0.00 -0.35 0.04 0.00 0.00 177.00 175.77 2kcz n PRO 113 N -2.10 0.53 -2.33 0.56 -0.04 -1.26 -4.94 135.00 125.42 2kcz n PRO 113 Ca 0.09 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 2kcz n PRO 113 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2kcz n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kcz n GLY 114 N 5.00 3.99 2.53 0.55 0.00 -1.26 -4.79 105.19 111.20 2kcz n GLY 114 Ca 0.00 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 2kcz n GLY 114 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kcz s GLY 115 N 2.54 1.57 0.25 -0.02 0.00 -1.26 -4.97 107.32 105.42 2kcz s GLY 115 Ca 0.45 -2.70 -0.06 0.00 0.00 0.00 0.00 44.72 42.41 2kcz s GLY 115 CO -0.01 1.86 1.92 1.76 0.00 0.00 0.00 173.10 178.63 2kcz h SER 116 N 5.80 1.14 0.98 1.64 0.02 -2.03 -1.82 113.55 119.28 2kcz h SER 116 Ca 0.20 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2kcz h SER 116 Cb 0.88 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2kcz h SER 116 CO 0.44 0.81 -0.31 0.00 -1.14 0.00 0.00 176.83 176.63 2kcz h ALA 117 N 1.38 0.97 0.00 3.77 0.00 -2.01 -3.13 119.26 120.25 2kcz h ALA 117 Ca 0.38 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kcz h ALA 117 Cb -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2kcz h ALA 117 CO -0.09 0.39 -0.31 0.78 0.00 0.00 0.00 179.25 180.02 2kcz h GLY 118 N 2.27 0.00 0.95 0.00 0.00 -1.74 -3.01 103.07 101.54 2kcz h GLY 118 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2kcz h GLY 118 CO 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.49 2kcz h ALA 119 N 1.69 0.50 0.00 3.60 0.00 -1.55 -3.00 119.26 120.50 2kcz h ALA 119 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2kcz h ALA 119 Cb 0.60 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kcz h ALA 119 CO 0.04 0.35 -0.03 -0.24 0.00 0.00 0.00 179.25 179.37 2kcz h VAL 120 N 0.50 0.07 0.58 0.00 3.04 -1.68 -2.82 116.25 115.94 2kcz h VAL 120 Ca 0.09 -0.75 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 2kcz h VAL 120 Cb 0.60 1.70 0.01 0.00 -2.01 0.00 0.00 31.29 31.58 2kcz h VAL 120 CO 0.04 0.03 -0.28 0.40 -1.01 0.00 0.00 177.57 176.75 2kcz h ILE 121 N 0.00 0.36 -0.08 3.17 1.08 -1.44 0.01 117.51 120.61 2kcz h ILE 121 Ca -0.00 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.18 2kcz h ILE 121 Cb 0.70 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 2kcz h ILE 121 CO 0.00 0.03 -0.18 0.00 -0.69 0.00 0.00 178.15 177.32 2kcz h ALA 122 N -0.64 1.56 -0.06 1.87 0.00 -1.61 -2.11 119.26 118.27 2kcz h ALA 122 Ca -0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2kcz h ALA 122 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2kcz h ALA 122 CO 0.13 0.32 -0.32 -0.09 0.00 0.00 0.00 179.25 179.29 2kcz h ARG 123 N 0.12 0.11 -0.56 0.00 9.65 -1.28 -2.72 114.38 119.70 2kcz h ARG 123 Ca 0.02 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.77 2kcz h ARG 123 Cb 0.39 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 2kcz h ARG 123 CO 0.03 0.42 -0.02 1.98 2.80 0.00 0.00 179.97 185.18 2kcz h MET 124 N 0.10 1.01 0.58 0.20 4.05 -0.28 -3.29 114.93 117.30 2kcz h MET 124 Ca 0.01 -0.33 -0.03 0.00 -0.28 0.00 0.00 59.70 59.08 2kcz h MET 124 Cb 0.62 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 31.34 2kcz h MET 124 CO 0.05 1.01 -0.28 0.74 0.23 0.00 0.00 176.91 178.66 2kcz h PHE 125 N 0.89 -0.72 0.00 1.39 0.04 -1.48 -3.46 116.94 113.61 2kcz h PHE 125 Ca 0.16 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2kcz h PHE 125 Cb 0.57 0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2kcz h PHE 125 CO 0.04 -0.45 0.00 -1.71 -0.60 0.00 0.00 178.31 175.59 2kcz n ASN 126 N -5.02 0.00 0.19 2.17 5.15 -1.05 -4.83 115.26 111.87 2kcz n ASN 126 Ca -0.10 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.74 2kcz n ASN 126 Cb 0.31 -1.30 -0.07 0.00 -0.53 0.00 0.00 39.78 38.19 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 1.22 -0.59 -5.13 1.20 4.15 -1.89 -3.42 115.11 110.65 2kcz h GLN 127 Ca 0.00 0.04 -0.43 0.00 0.77 0.00 0.00 58.65 59.03 2kcz h GLN 127 Cb 0.00 0.13 -0.26 0.00 0.21 0.00 0.00 27.48 27.56 2kcz h GLN 127 CO 0.00 -0.39 -0.79 -1.21 -1.93 0.00 0.00 178.83 174.50 2kcz s GLU 128 N -6.04 0.91 0.00 1.69 2.02 -1.26 -5.02 118.70 111.00 2kcz s GLU 128 Ca -0.16 -0.59 0.30 0.00 0.02 0.00 0.00 54.97 54.53 2kcz s GLU 128 Cb 0.06 -0.89 1.56 0.00 0.10 0.00 0.00 34.13 34.96 2kcz s GLU 128 CO 0.64 0.23 2.05 -2.30 0.02 0.00 0.00 175.26 175.90 2kcz n PRO 129 N 2.30 0.53 -2.55 0.39 -0.02 -1.26 -4.96 135.00 129.42 2kcz n PRO 129 Ca -0.16 0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.30 2kcz n PRO 129 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2kcz n PRO 129 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kcz n SER 130 N -1.23 -7.03 -3.92 2.55 2.88 -1.26 -5.03 113.62 100.58 2kcz n SER 130 Ca 0.16 0.95 -0.30 0.00 -1.33 0.00 0.00 58.87 58.35 2kcz n SER 130 Cb 0.21 -4.65 -0.16 0.00 -0.75 0.00 0.00 64.21 58.86 2kcz n SER 130 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2kcz s GLN 131 N -1.70 1.52 -0.08 -1.46 -1.52 -1.26 -5.10 119.66 110.06 2kcz s GLN 131 Ca 0.07 -0.90 -0.11 0.00 -1.95 0.00 0.00 55.36 52.48 2kcz s GLN 131 Cb -0.02 -2.50 -0.05 0.00 -0.22 0.00 0.00 33.01 30.22 2kcz s GLN 131 CO 0.65 -0.59 0.25 1.14 -0.25 0.00 0.00 175.29 176.50 2kcz s GLN 132 N 1.46 3.73 0.13 2.91 -2.07 -1.26 -5.09 119.66 119.47 2kcz s GLN 132 Ca -0.05 0.09 0.01 0.00 -1.82 0.00 0.00 55.36 53.59 2kcz s GLN 132 Cb -0.18 -3.24 -0.00 0.00 -1.09 0.00 0.00 33.01 28.50 2kcz s GLN 132 CO -0.06 0.67 0.05 1.28 -1.32 0.00 0.00 175.29 175.90 2kcz n LEU 133 N 2.16 0.00 0.30 2.60 4.32 -1.26 -5.01 117.00 120.11 2kcz n LEU 133 Ca -0.17 -1.00 0.18 0.00 -0.02 0.00 0.00 56.01 55.00 2kcz n LEU 133 Cb 0.54 0.33 0.95 0.00 -1.62 0.00 0.00 43.42 43.62 2kcz n LEU 133 CO 0.35 -0.15 1.09 0.03 -1.22 0.00 0.00 177.39 177.48 2kcz h ARG 134 N 0.00 0.00 -0.92 3.23 3.08 -2.00 -1.97 114.38 115.81 2kcz h ARG 134 Ca -0.10 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2kcz h ARG 134 Cb 0.39 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 2kcz h ARG 134 CO 0.16 0.03 0.60 0.22 -1.07 0.00 0.00 179.97 179.91 2kcz h ASP 135 N 0.00 0.92 -0.55 7.04 3.58 -1.98 0.24 116.42 125.67 2kcz h ASP 135 Ca -0.00 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2kcz h ASP 135 Cb 0.16 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 2kcz h ASP 135 CO 0.00 0.58 0.26 0.44 -2.88 0.00 0.00 179.24 177.65 2kcz h ASP 136 N 1.04 0.73 0.99 2.28 5.19 -1.75 -1.00 116.42 123.90 2kcz h ASP 136 Ca 0.40 -0.13 -0.11 0.00 -0.62 0.00 0.00 57.03 56.56 2kcz h ASP 136 Cb 0.22 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 2kcz h ASP 136 CO -0.15 0.66 -0.54 0.25 -3.12 0.00 0.00 179.24 176.33 2kcz h LEU 137 N 0.74 0.00 -0.21 1.55 5.85 -1.40 -1.03 115.31 120.82 2kcz h LEU 137 Ca 0.19 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2kcz h LEU 137 Cb 0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2kcz h LEU 137 CO -0.02 0.54 0.06 -0.03 -0.34 0.00 0.00 178.44 178.64 2kcz h MET 138 N 0.00 0.34 -0.82 1.25 4.05 -0.13 -0.68 114.93 118.94 2kcz h MET 138 Ca -0.01 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 2kcz h MET 138 Cb 1.18 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.90 2kcz h MET 138 CO 0.07 0.45 0.43 0.00 0.23 0.00 0.00 176.91 178.09 2kcz h ARG 139 N 0.17 1.15 -0.94 0.39 3.08 -1.04 -1.98 114.38 115.22 2kcz h ARG 139 Ca 0.07 -0.15 0.08 0.00 0.07 0.00 0.00 59.98 60.05 2kcz h ARG 139 Cb 0.26 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 2kcz h ARG 139 CO -0.00 0.87 0.59 0.35 -1.07 0.00 0.00 179.97 180.70 2kcz h PHE 140 N 1.14 1.08 0.17 3.04 3.57 -0.86 0.14 116.94 125.23 2kcz h PHE 140 Ca 0.28 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 2kcz h PHE 140 Cb 0.07 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2kcz h PHE 140 CO 0.01 0.52 -0.08 -0.22 -2.23 0.00 0.00 178.31 176.31 2kcz h LYS 141 N 1.04 -0.22 -0.67 1.11 3.64 -0.72 -2.66 116.57 118.09 2kcz h LYS 141 Ca 0.42 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.92 2kcz h LYS 141 Cb 0.24 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 2kcz h LYS 141 CO -0.20 0.06 0.28 0.00 -2.27 0.00 0.00 179.45 177.32 2kcz h ARG 142 N -0.49 0.46 -0.78 1.90 2.47 -0.71 -0.38 114.38 116.85 2kcz h ARG 142 Ca -0.02 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 2kcz h ARG 142 Cb 0.38 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.56 2kcz h ARG 142 CO 0.04 0.30 0.34 0.93 0.56 0.00 0.00 179.97 182.14 2kcz h GLU 143 N 0.47 1.15 -0.10 0.04 4.39 -0.74 0.78 114.58 120.57 2kcz h GLU 143 Ca 0.34 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 2kcz h GLU 143 Cb 0.42 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2kcz h GLU 143 CO -0.31 0.91 -0.12 1.96 -1.16 0.00 0.00 179.01 180.29 2kcz h GLN 144 N 1.13 0.25 0.00 2.33 4.20 -0.93 -0.69 115.11 121.40 2kcz h GLN 144 Ca 0.26 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2kcz h GLN 144 Cb 0.17 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2kcz h GLN 144 CO -0.03 0.69 0.00 -0.85 -0.67 0.00 0.00 178.83 177.97 2kcz n GLU 145 N -4.63 0.19 0.04 1.46 0.28 -0.24 -0.33 120.64 117.41 2kcz n GLU 145 Ca -0.07 0.25 -0.21 0.00 -0.16 0.00 0.00 57.16 56.97 2kcz n GLU 145 Cb 0.34 -1.77 -0.14 0.00 1.43 0.00 0.00 31.44 31.31 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 -0.29 -1.84 7.12 -0.81 -3.35 115.31 116.61 2kcz h LEU 146 Ca 0.00 -0.90 -0.12 0.00 0.13 0.00 0.00 57.88 56.99 2kcz h LEU 146 Cb 0.57 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.54 2kcz h LEU 146 CO 0.00 1.55 -0.31 1.23 -0.13 0.00 0.00 178.44 180.79 2kcz h GLY 147 N -0.06 0.78 -6.62 3.75 0.00 -0.74 -3.43 103.07 96.75 2kcz h GLY 147 Ca -0.24 -0.81 -0.25 0.00 0.00 0.00 0.00 47.33 46.03 2kcz h GLY 147 CO 0.12 0.73 -0.57 -2.27 0.00 0.00 0.00 176.54 174.55 2kcz s LEU 148 N -8.95 -0.34 -0.01 3.11 0.20 0.55 -4.95 118.68 108.29 2kcz s LEU 148 Ca -0.12 -0.08 0.01 0.00 0.69 0.00 0.00 54.13 54.63 2kcz s LEU 148 Cb 0.09 0.70 0.02 0.00 -0.43 0.00 0.00 46.19 46.57 2kcz s LEU 148 CO 0.83 -0.32 0.99 -1.84 -0.29 0.00 0.00 176.35 175.72 2kcz n GLU 149 N 5.34 2.77 0.00 1.98 0.28 -1.25 -4.14 120.64 125.62 2kcz n GLU 149 Ca -0.04 -1.52 0.00 0.00 -0.16 0.00 0.00 57.16 55.44 2kcz n GLU 149 Cb 0.50 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.36 2kcz n GLU 149 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kcz n HIS 150 N -0.53 0.00 -3.99 -1.84 -0.00 -1.26 -4.66 115.22 102.94 2kcz n HIS 150 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.64 2kcz n HIS 150 Cb 0.28 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.19 2kcz n HIS 150 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcz s HIS 151 N 0.00 0.47 0.06 1.57 0.09 -1.26 -5.12 115.29 111.10 2kcz s HIS 151 Ca 0.00 -0.86 -0.30 0.00 -0.00 0.00 0.00 55.06 53.90 2kcz s HIS 151 Cb 0.00 -0.17 -0.08 0.00 -0.00 0.00 0.00 32.58 32.33 2kcz s HIS 151 CO 0.00 -0.63 1.71 -1.01 -0.00 0.00 0.00 174.74 174.81 2kcz s HIS 152 N -3.97 2.20 -0.17 1.40 0.09 -1.26 -4.89 115.29 108.69 2kcz s HIS 152 Ca 0.16 0.17 -0.17 0.00 -0.00 0.00 0.00 55.06 55.23 2kcz s HIS 152 Cb 0.05 -4.02 -0.13 0.00 -0.00 0.00 0.00 32.58 28.48 2kcz s HIS 152 CO -0.02 -4.18 0.12 0.45 -0.00 0.00 0.00 174.74 171.12 2kcz h HIS 153 N 8.77 0.00 0.00 1.40 3.86 -1.96 -3.48 115.15 123.74 2kcz h HIS 153 Ca -0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2kcz h HIS 153 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2kcz h HIS 153 CO 0.81 0.85 0.00 -2.39 0.86 0.00 0.00 177.93 178.07 2kcz n HIS 154 N -4.53 0.00 -1.17 2.45 1.44 -1.26 -5.21 115.22 106.93 2kcz n HIS 154 Ca -0.20 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.51 2kcz n HIS 154 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 2kcz n HIS 154 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11