#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 3.71 -5.12 0.00 -1.26 -5.14 105.19 98.03 2kcz n GLY 2 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2kcz n GLY 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kcz s GLU 3 N 0.00 2.04 -0.06 1.61 1.03 -1.26 -5.03 118.70 117.03 2kcz s GLU 3 Ca 0.03 1.90 0.01 0.00 0.03 0.00 0.00 54.97 56.94 2kcz s GLU 3 Cb 0.03 -1.81 0.02 0.00 -0.80 0.00 0.00 34.13 31.58 2kcz s GLU 3 CO -0.01 -1.94 -0.06 0.99 -1.33 0.00 0.00 175.26 172.90 2kcz s THR 4 N -1.80 0.73 -0.21 1.83 2.01 -1.26 -5.13 115.64 111.81 2kcz s THR 4 Ca 0.78 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.47 2kcz s THR 4 Cb -0.33 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2kcz s THR 4 CO 0.46 0.28 0.17 -0.69 -0.69 0.00 0.00 174.62 174.15 2kcz s VAL 5 N 1.12 5.37 -0.11 3.82 1.01 -1.26 -4.58 120.40 125.77 2kcz s VAL 5 Ca -0.07 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 2kcz s VAL 5 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2kcz s VAL 5 CO -0.01 0.39 0.84 0.68 0.00 0.00 0.00 175.10 177.00 2kcz s VAL 6 N 0.70 4.91 -0.09 2.92 -7.23 -1.15 -4.92 120.40 115.54 2kcz s VAL 6 Ca 0.09 1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 61.92 2kcz s VAL 6 Cb -0.12 -4.16 0.05 0.00 0.56 0.00 0.00 36.38 32.70 2kcz s VAL 6 CO 0.02 0.10 0.13 0.00 -0.31 0.00 0.00 175.10 175.03 2kcz s ARG 7 N 1.65 0.02 0.33 4.82 1.04 -1.26 -2.19 118.95 123.35 2kcz s ARG 7 Ca 0.41 0.41 0.04 0.00 -1.04 0.00 0.00 55.73 55.55 2kcz s ARG 7 Cb -0.18 -0.59 -0.06 0.00 -2.04 0.00 0.00 34.95 32.08 2kcz s ARG 7 CO 0.17 -0.38 0.06 0.34 -0.04 0.00 0.00 175.30 175.44 2kcz s ASP 8 N 2.25 2.37 -0.10 -2.89 2.15 -1.20 -4.97 116.67 114.27 2kcz s ASP 8 Ca 0.04 -1.38 -0.04 0.00 0.43 0.00 0.00 52.55 51.59 2kcz s ASP 8 Cb -0.13 -0.07 0.05 0.00 -0.30 0.00 0.00 42.92 42.47 2kcz s ASP 8 CO -0.06 -0.61 0.22 0.00 -0.17 0.00 0.00 175.17 174.54 2kcz s ALA 9 N -3.30 -0.41 0.07 3.66 0.00 -1.26 -2.32 121.76 118.21 2kcz s ALA 9 Ca 0.36 0.81 0.06 0.00 0.00 0.00 0.00 51.96 53.19 2kcz s ALA 9 Cb 0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2kcz s ALA 9 CO 0.15 -0.47 -0.09 0.14 0.00 0.00 0.00 175.76 175.49 2kcz s VAL 10 N 2.01 3.45 -0.37 0.00 -7.23 -1.19 -4.94 120.40 112.13 2kcz s VAL 10 Ca -0.02 -1.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.94 2kcz s VAL 10 Cb -0.12 -2.58 0.03 0.00 0.56 0.00 0.00 36.38 34.28 2kcz s VAL 10 CO -0.07 0.20 0.19 -0.89 -0.31 0.00 0.00 175.10 174.21 2kcz s THR 11 N -1.15 4.45 0.12 5.32 2.01 -1.26 -1.83 115.64 123.31 2kcz s THR 11 Ca 0.20 -0.88 0.09 0.00 0.31 0.00 0.00 61.69 61.41 2kcz s THR 11 Cb -0.11 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2kcz s THR 11 CO 0.12 -0.21 -0.21 0.27 -0.69 0.00 0.00 174.62 173.90 2kcz s ILE 12 N 1.53 1.81 -0.86 1.82 -0.00 -1.07 -5.00 121.20 119.43 2kcz s ILE 12 Ca 0.02 -1.66 0.02 0.00 -0.00 0.00 0.00 60.65 59.02 2kcz s ILE 12 Cb -0.19 -1.68 0.12 0.00 -0.00 0.00 0.00 42.46 40.70 2kcz s ILE 12 CO 0.06 -0.10 0.70 0.61 -0.00 0.00 0.00 174.94 176.21 2kcz n GLY 13 N 0.87 1.74 3.78 6.27 0.00 -1.26 -0.46 105.19 116.12 2kcz n GLY 13 Ca -0.18 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.22 4.59 0.04 1.61 -0.14 -1.26 -4.30 119.74 119.06 2kcz s LYS 14 Ca 0.08 1.37 -0.34 0.00 -1.36 0.00 0.00 55.97 55.72 2kcz s LYS 14 Cb 0.06 -2.84 -0.19 0.00 -1.68 0.00 0.00 37.83 33.18 2kcz s LYS 14 CO 0.02 0.27 1.39 -1.00 -0.76 0.00 0.00 175.35 175.28 2kcz h PRO 15 N 3.24 -1.17 0.00 -1.68 0.13 -1.94 -3.16 132.00 127.42 2kcz h PRO 15 Ca -0.47 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kcz h PRO 15 Cb 1.19 0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.59 2kcz h PRO 15 CO 0.65 -0.78 0.00 0.00 -0.23 0.00 0.00 178.00 177.64 2kcz n ALA 16 N -2.69 0.00 -0.12 -0.56 0.00 -1.26 -4.61 120.51 111.27 2kcz n ALA 16 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 2kcz n ALA 16 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 2kcz n ALA 16 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kcz h GLU 17 N 0.00 0.28 0.00 0.00 3.07 -1.93 0.95 114.58 116.95 2kcz h GLU 17 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2kcz h GLU 17 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 2kcz h GLU 17 CO 0.00 0.18 0.00 1.04 -1.40 0.00 0.00 179.01 178.83 2kcz n GLN 18 N -5.02 0.12 0.04 2.33 1.13 -1.26 -1.59 117.38 113.13 2kcz n GLN 18 Ca 0.02 0.44 -0.22 0.00 -1.94 0.00 0.00 57.00 55.31 2kcz n GLN 18 Cb 0.15 -1.78 -0.14 0.00 0.11 0.00 0.00 30.24 28.58 2kcz n GLN 18 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2kcz h LEU 19 N 0.00 0.48 -1.52 1.08 3.38 -1.22 -3.32 115.31 114.19 2kcz h LEU 19 Ca 0.00 -0.90 -0.03 0.00 0.09 0.00 0.00 57.88 57.04 2kcz h LEU 19 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kcz h LEU 19 CO 0.00 1.60 -0.01 1.88 0.09 0.00 0.00 178.44 181.99 2kcz h TYR 20 N -0.22 0.29 0.00 1.13 0.05 -0.52 -2.08 116.97 115.62 2kcz h TYR 20 Ca -0.27 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2kcz h TYR 20 Cb 1.82 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.47 2kcz h TYR 20 CO 0.14 0.31 0.00 0.00 -1.05 0.00 0.00 178.16 177.56 2kcz n ALA 21 N -2.49 1.86 -0.06 3.88 0.00 -0.62 -3.53 120.51 119.55 2kcz n ALA 21 Ca -0.00 -0.07 0.22 0.00 0.00 0.00 0.00 53.44 53.59 2kcz n ALA 21 Cb 0.19 -1.28 0.68 0.00 0.00 0.00 0.00 19.45 19.05 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 0.69 0.00 0.00 3.04 -1.47 0.24 116.25 118.76 2kcz h VAL 22 Ca 0.00 -0.01 -0.03 0.00 -1.01 0.00 0.00 66.70 65.64 2kcz h VAL 22 Cb 0.22 0.65 -0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2kcz h VAL 22 CO 0.00 0.01 -0.16 -0.25 -1.01 0.00 0.00 177.57 176.16 2kcz h TRP 23 N 0.04 0.00 0.00 3.17 7.01 -1.81 -2.71 115.95 121.65 2kcz h TRP 23 Ca 0.31 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.31 2kcz h TRP 23 Cb 1.17 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 2kcz h TRP 23 CO -0.00 0.16 -0.04 -2.13 -2.79 0.00 0.00 178.44 173.64 2kcz n ARG 24 N -3.44 1.89 -1.31 2.65 3.00 0.40 -5.11 116.66 114.74 2kcz n ARG 24 Ca -0.01 -1.63 0.17 0.00 -0.00 0.00 0.00 57.85 56.38 2kcz n ARG 24 Cb 0.33 -1.03 -0.07 0.00 0.00 0.00 0.00 32.46 31.69 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 -0.66 -7.75 -4.24 6.15 2.03 0.56 -4.69 116.55 107.96 2kcz n ASP 25 Ca 0.04 0.99 -0.42 0.00 0.52 0.00 0.00 54.79 55.92 2kcz n ASP 25 Cb 0.43 -4.26 -0.04 0.00 -0.72 0.00 0.00 41.12 36.52 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 -7.02 6.12 0.00 -2.67 2.34 -1.26 -4.52 118.68 111.68 2kcz s LEU 26 Ca 0.00 -3.03 -0.02 0.00 0.06 0.00 0.00 54.13 51.14 2kcz s LEU 26 Cb 0.00 -2.07 0.09 0.00 -0.56 0.00 0.00 46.19 43.65 2kcz s LEU 26 CO 0.00 -0.42 0.59 -0.81 -1.06 0.00 0.00 176.35 174.66 2kcz n PRO 27 N 3.40 -0.01 0.00 1.48 -0.05 -1.26 -5.06 135.00 133.50 2kcz n PRO 27 Ca 0.15 -1.40 0.00 0.00 -0.05 0.00 0.00 63.50 62.20 2kcz n PRO 27 Cb 0.42 -0.46 0.00 0.00 -0.05 0.00 0.00 33.50 33.41 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 0.66 0.06 1.10 0.55 0.00 -1.26 -4.41 105.19 101.90 2kcz n GLY 28 Ca 0.09 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.39 -0.79 -3.26 0.99 4.32 -1.26 -4.19 117.00 111.43 2kcz n LEU 29 Ca 0.00 1.83 -0.27 0.00 -0.02 0.00 0.00 56.01 57.56 2kcz n LEU 29 Cb 0.00 -2.43 -0.02 0.00 -1.62 0.00 0.00 43.42 39.35 2kcz n LEU 29 CO 0.00 -1.68 2.42 -0.81 -1.22 0.00 0.00 177.39 176.10 2kcz n PRO 30 N -3.80 2.16 -3.57 3.23 -0.04 -1.26 -4.59 135.00 127.13 2kcz n PRO 30 Ca -0.07 -1.60 -0.23 0.00 -0.04 0.00 0.00 63.50 61.56 2kcz n PRO 30 Cb 0.52 -2.56 0.01 0.00 -0.04 0.00 0.00 33.50 31.43 2kcz n PRO 30 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kcz n LEU 31 N 4.64 -3.12 0.07 1.53 4.32 -1.26 -4.88 117.00 118.29 2kcz n LEU 31 Ca 0.48 -0.59 0.13 0.00 -0.02 0.00 0.00 56.01 56.02 2kcz n LEU 31 Cb 0.18 -1.99 0.41 0.00 -1.62 0.00 0.00 43.42 40.41 2kcz n LEU 31 CO 0.77 -0.08 0.80 0.00 -1.22 0.00 0.00 177.39 177.65 2kcz n LEU 32 N -1.88 0.58 -2.19 2.23 -0.00 -1.26 -5.02 117.00 109.46 2kcz n LEU 32 Ca -0.20 0.47 -0.02 0.00 -0.00 0.00 0.00 56.01 56.26 2kcz n LEU 32 Cb 0.65 -0.34 -0.02 0.00 -0.00 0.00 0.00 43.42 43.71 2kcz n LEU 32 CO 0.60 -0.10 -0.45 0.80 -0.00 0.00 0.00 177.39 178.23 2kcz n MET 33 N -2.01 -3.87 0.02 1.47 0.00 -1.26 -5.06 117.12 106.41 2kcz n MET 33 Ca 0.06 2.96 0.00 0.00 -0.00 0.00 0.00 57.70 60.71 2kcz n MET 33 Cb 0.40 -3.99 0.00 0.00 0.00 0.00 0.00 33.22 29.64 2kcz n MET 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2kcz n THR 34 N 1.39 0.06 -3.77 1.12 -1.04 -1.26 -5.13 114.28 105.64 2kcz n THR 34 Ca -0.16 0.02 -0.08 0.00 -2.04 0.00 0.00 64.05 61.79 2kcz n THR 34 Cb 0.24 -0.84 0.03 0.00 -1.82 0.00 0.00 70.33 67.94 2kcz n THR 34 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2kcz n HIS 35 N -2.78 -2.19 -1.73 -1.42 -0.00 -1.26 -5.12 115.22 100.71 2kcz n HIS 35 Ca 0.00 -1.71 -0.42 0.00 -0.00 0.00 0.00 57.72 55.59 2kcz n HIS 35 Cb 0.14 0.85 -0.01 0.00 -0.00 0.00 0.00 29.99 30.98 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 4.10 -0.46 0.27 7.99 -1.26 -4.40 117.00 123.24 2kcz n LEU 36 Ca -0.08 1.19 0.00 0.00 -0.01 0.00 0.00 56.01 57.11 2kcz n LEU 36 Cb 0.57 -1.55 0.00 0.00 -0.11 0.00 0.00 43.42 42.33 2kcz n LEU 36 CO 0.26 -0.10 -0.12 0.54 -1.51 0.00 0.00 177.39 176.46 2kcz n ARG 37 N 1.24 -1.27 -0.37 3.23 3.00 -1.26 -4.77 116.66 116.47 2kcz n ARG 37 Ca 0.06 0.92 0.28 0.00 -0.01 0.00 0.00 57.85 59.10 2kcz n ARG 37 Cb 0.36 -1.01 0.55 0.00 0.00 0.00 0.00 32.46 32.37 2kcz n ARG 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2kcz h SER 38 N 0.74 0.39 0.00 0.55 0.02 -1.86 -3.38 113.55 110.02 2kcz h SER 38 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2kcz h SER 38 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2kcz h SER 38 CO 0.00 -0.10 0.00 0.55 -1.14 0.00 0.00 176.83 176.14 2kcz n VAL 39 N -4.81 0.00 -2.57 2.27 3.14 -1.26 -4.29 118.33 110.81 2kcz n VAL 39 Ca 0.32 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.70 2kcz n VAL 39 Cb 1.12 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 33.50 2kcz n VAL 39 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2kcz n GLU 40 N -3.33 0.00 -1.74 1.45 2.13 -1.26 -4.45 120.64 113.44 2kcz n GLU 40 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 2kcz n GLU 40 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2kcz n GLU 40 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2kcz n VAL 41 N 0.00 0.57 0.00 6.31 0.31 -1.26 -4.95 118.33 119.31 2kcz n VAL 41 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2kcz n VAL 41 Cb 0.00 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 2kcz n VAL 41 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2kcz n LEU 42 N 2.97 0.03 0.15 7.52 4.77 -1.26 -4.01 117.00 127.16 2kcz n LEU 42 Ca 0.12 0.91 -0.14 0.00 -0.03 0.00 0.00 56.01 56.87 2kcz n LEU 42 Cb 0.36 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2kcz n LEU 42 CO 0.64 -0.44 0.64 -0.78 -1.33 0.00 0.00 177.39 176.11 2kcz h ASP 43 N 0.00 -0.30 0.00 -1.43 1.82 -1.71 -3.48 116.42 111.32 2kcz h ASP 43 Ca 0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2kcz h ASP 43 Cb 0.00 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.09 2kcz h ASP 43 CO 0.00 -0.02 0.00 -0.67 -1.61 0.00 0.00 179.24 176.94 2kcz n ASP 44 N -5.14 0.00 -0.07 2.28 2.03 -1.26 -4.90 116.55 109.49 2kcz n ASP 44 Ca -0.10 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.26 2kcz n ASP 44 Cb 0.23 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.69 2kcz n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kcz n LYS 45 N -0.55 1.79 -3.79 -0.67 4.76 -1.26 -4.58 118.16 113.86 2kcz n LYS 45 Ca 0.00 -1.81 -0.24 0.00 -2.87 0.00 0.00 58.31 53.39 2kcz n LYS 45 Cb 0.00 -1.12 -0.02 0.00 -1.84 0.00 0.00 35.03 32.06 2kcz n LYS 45 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2kcz s ARG 46 N -1.59 2.33 0.00 1.97 0.52 -1.26 -4.93 118.95 115.98 2kcz s ARG 46 Ca 0.13 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 2kcz s ARG 46 Cb 0.11 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.40 2kcz s ARG 46 CO 0.01 -0.46 0.00 0.43 0.02 0.00 0.00 175.30 175.31 2kcz n SER 47 N -1.67 -0.05 -4.29 0.23 7.64 -1.26 -4.01 113.62 110.21 2kcz n SER 47 Ca 0.01 -0.07 -0.28 0.00 1.01 0.00 0.00 58.87 59.53 2kcz n SER 47 Cb 0.63 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.00 2kcz n SER 47 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kcz s ARG 48 N -0.30 0.94 0.00 1.43 0.52 -1.26 -4.08 118.95 116.20 2kcz s ARG 48 Ca 0.00 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2kcz s ARG 48 Cb 0.00 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.46 2kcz s ARG 48 CO 0.00 -2.12 0.00 0.91 0.02 0.00 0.00 175.30 174.11 2kcz n TRP 49 N -3.47 0.00 -1.44 -0.53 7.02 -1.26 -4.82 117.44 112.95 2kcz n TRP 49 Ca 0.15 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.21 2kcz n TRP 49 Cb 0.60 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.46 2kcz n TRP 49 CO 0.00 0.00 0.00 -2.37 -2.02 0.00 0.00 177.69 173.30 2kcz n THR 50 N 0.00 2.67 0.00 -0.99 5.66 -1.26 -3.55 114.28 116.82 2kcz n THR 50 Ca 0.00 -2.31 0.00 0.00 -3.05 0.00 0.00 64.05 58.69 2kcz n THR 50 Cb 0.00 -2.47 0.00 0.00 -1.55 0.00 0.00 70.33 66.31 2kcz n THR 50 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2kcz n VAL 51 N 5.49 0.00 -1.56 1.08 0.24 -1.26 -4.27 118.33 118.05 2kcz n VAL 51 Ca 0.51 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.88 2kcz n VAL 51 Cb 0.39 -0.46 0.17 0.00 -1.47 0.00 0.00 33.84 32.47 2kcz n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2kcz n GLU 52 N -1.67 1.35 -4.38 7.34 -0.58 -1.23 -5.04 120.64 116.43 2kcz n GLU 52 Ca 0.00 -2.98 -0.22 0.00 -0.42 0.00 0.00 57.16 53.54 2kcz n GLU 52 Cb 0.29 -1.44 -0.11 0.00 -0.57 0.00 0.00 31.44 29.62 2kcz n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kcz s ALA 53 N -2.82 2.24 1.27 0.62 0.00 -1.26 -5.15 121.76 116.66 2kcz s ALA 53 Ca 0.35 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.50 2kcz s ALA 53 Cb 0.34 -0.20 0.27 0.00 0.00 0.00 0.00 23.12 23.54 2kcz s ALA 53 CO -0.05 0.23 0.83 -0.35 0.00 0.00 0.00 175.76 176.42 2kcz n PRO 54 N -0.07 -3.33 -1.63 0.00 -0.04 -1.26 -4.92 135.00 123.74 2kcz n PRO 54 Ca -0.10 -1.35 -0.41 0.00 -0.04 0.00 0.00 63.50 61.60 2kcz n PRO 54 Cb 0.58 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.64 2kcz n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kcz n ALA 55 N -4.81 0.45 0.28 0.55 0.00 -1.26 -4.83 120.51 110.89 2kcz n ALA 55 Ca -0.17 0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 2kcz n ALA 55 Cb 0.49 -2.13 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 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 1.66 -0.64 0.00 0.00 0.13 -1.93 -1.35 132.00 129.86 2kcz h PRO 56 Ca -0.45 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kcz h PRO 56 Cb 1.33 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.60 2kcz h PRO 56 CO 0.58 -0.42 0.00 1.28 -0.23 0.00 0.00 178.00 179.21 2kcz n LEU 57 N -5.37 0.00 -0.04 1.56 4.77 -1.26 -2.58 117.00 114.08 2kcz n LEU 57 Ca -0.12 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 2kcz n LEU 57 Cb 0.28 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2kcz n LEU 57 CO 0.37 0.00 -0.28 0.61 -1.33 0.00 0.00 177.39 176.76 2kcz n GLY 58 N 0.50 -0.64 2.50 -0.72 0.00 -0.58 -4.93 105.19 101.32 2kcz n GLY 58 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.29 0.39 -2.67 4.61 0.00 -0.79 -5.03 120.51 113.74 2kcz n ALA 59 Ca -0.06 -2.28 -0.19 0.00 0.00 0.00 0.00 53.44 50.91 2kcz n ALA 59 Cb 0.21 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.45 2kcz n ALA 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kcz s VAL 60 N -0.83 0.78 0.00 0.00 1.01 -1.06 -4.85 120.40 115.45 2kcz s VAL 60 Ca 0.30 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2kcz s VAL 60 Cb 0.31 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2kcz s VAL 60 CO -0.07 0.18 0.98 -1.20 0.00 0.00 0.00 175.10 174.99 2kcz n SER 61 N 2.73 0.00 -4.07 3.32 7.64 -1.26 -4.74 113.62 117.24 2kcz n SER 61 Ca -0.14 0.98 -0.23 0.00 1.01 0.00 0.00 58.87 60.49 2kcz n SER 61 Cb 0.56 -0.48 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 2kcz n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 2kcz s TRP 62 N -2.93 1.29 0.25 1.43 1.48 -1.26 -3.97 118.94 115.23 2kcz s TRP 62 Ca 0.00 -0.32 -0.16 0.00 -1.06 0.00 0.00 56.10 54.56 2kcz s TRP 62 Cb 0.00 -0.87 0.01 0.00 -1.16 0.00 0.00 33.47 31.44 2kcz s TRP 62 CO 0.00 -0.10 0.56 -2.00 -4.06 0.00 0.00 176.95 171.35 2kcz s GLU 63 N 0.01 1.60 -0.24 3.25 -6.30 -1.26 -4.97 118.70 110.79 2kcz s GLU 63 Ca -0.01 -1.12 0.01 0.00 -2.50 0.00 0.00 54.97 51.35 2kcz s GLU 63 Cb -0.09 0.52 0.04 0.00 0.00 0.00 0.00 34.13 34.60 2kcz s GLU 63 CO 0.01 -0.69 -0.12 0.00 0.02 0.00 0.00 175.26 174.48 2kcz s ALA 64 N -3.97 2.54 -0.12 6.30 0.00 -1.26 -0.52 121.76 124.73 2kcz s ALA 64 Ca 0.17 -1.55 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 2kcz s ALA 64 Cb -0.02 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 2kcz s ALA 64 CO 0.07 -0.88 0.00 -2.00 0.00 0.00 0.00 175.76 172.95 2kcz s GLU 65 N 1.21 3.34 0.25 0.00 -6.30 -1.22 -4.47 118.70 111.51 2kcz s GLU 65 Ca -0.03 -0.42 -0.17 0.00 -2.50 0.00 0.00 54.97 51.86 2kcz s GLU 65 Cb -0.17 -2.90 -0.08 0.00 0.00 0.00 0.00 34.13 30.97 2kcz s GLU 65 CO -0.07 0.52 0.70 -0.51 0.02 0.00 0.00 175.26 175.91 2kcz s LEU 66 N -0.36 4.22 0.00 2.70 2.01 -1.26 -3.60 118.68 122.39 2kcz s LEU 66 Ca 0.07 1.29 0.22 0.00 0.01 0.00 0.00 54.13 55.72 2kcz s LEU 66 Cb -0.12 -3.75 -0.24 0.00 0.01 0.00 0.00 46.19 42.09 2kcz s LEU 66 CO 0.02 -0.06 0.70 1.07 1.01 0.00 0.00 176.35 179.09 2kcz n THR 67 N 0.25 0.05 -3.78 5.49 5.66 -1.05 -4.83 114.28 116.07 2kcz n THR 67 Ca -0.00 -0.33 -0.18 0.00 -3.05 0.00 0.00 64.05 60.48 2kcz n THR 67 Cb 0.52 0.29 -0.17 0.00 -1.55 0.00 0.00 70.33 69.42 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 -3.32 0.29 -0.33 1.79 0.00 -1.16 -4.95 121.76 114.08 2kcz s ALA 68 Ca -0.02 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.13 2kcz s ALA 68 Cb 0.14 -0.47 0.10 0.00 0.00 0.00 0.00 23.12 22.89 2kcz s ALA 68 CO 0.88 -0.28 0.08 -0.51 0.00 0.00 0.00 175.76 175.92 2kcz s ASP 69 N 1.58 4.43 0.02 0.00 1.11 -1.26 -3.45 116.67 119.10 2kcz s ASP 69 Ca -0.02 -1.97 0.08 0.00 0.18 0.00 0.00 52.55 50.82 2kcz s ASP 69 Cb -0.13 -1.30 -0.02 0.00 1.07 0.00 0.00 42.92 42.54 2kcz s ASP 69 CO -0.03 -0.39 -0.24 -1.61 1.18 0.00 0.00 175.17 174.08 2kcz s GLU 70 N 1.17 1.78 0.19 8.23 2.02 -1.17 -5.02 118.70 125.91 2kcz s GLU 70 Ca 0.11 -0.98 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 2kcz s GLU 70 Cb -0.18 -1.85 0.11 0.00 0.10 0.00 0.00 34.13 32.30 2kcz s GLU 70 CO -0.15 0.49 1.82 -1.35 0.02 0.00 0.00 175.26 176.09 2kcz h PRO 71 N 5.11 0.90 -0.76 0.39 0.11 -1.98 -3.37 132.00 132.40 2kcz h PRO 71 Ca -0.44 -0.09 -0.33 0.00 0.11 0.00 0.00 66.00 65.25 2kcz h PRO 71 Cb 1.14 -0.18 -0.27 0.00 0.11 0.00 0.00 31.00 31.80 2kcz h PRO 71 CO 0.45 0.66 -0.78 0.41 -0.21 0.00 0.00 178.00 178.53 2kcz n GLY 72 N -1.12 1.79 0.00 -0.55 0.00 -1.26 -4.82 105.19 99.22 2kcz n GLY 72 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.06 0.00 -4.30 1.61 4.81 -1.26 -4.85 118.16 114.23 2kcz n LYS 73 Ca 0.10 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.25 2kcz n LYS 73 Cb 0.74 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.63 2kcz n LYS 73 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kcz s ARG 74 N 0.00 2.33 -0.23 1.64 3.52 -1.26 0.89 118.95 125.85 2kcz s ARG 74 Ca 0.00 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 2kcz s ARG 74 Cb 0.00 -2.03 0.06 0.00 -1.56 0.00 0.00 34.95 31.41 2kcz s ARG 74 CO 0.00 -0.13 -0.06 0.42 -0.81 0.00 0.00 175.30 174.72 2kcz s ILE 75 N 1.18 1.50 -0.33 4.11 1.09 0.39 -3.01 121.20 126.13 2kcz s ILE 75 Ca -0.02 -1.15 -0.15 0.00 -1.10 0.00 0.00 60.65 58.23 2kcz s ILE 75 Cb -0.14 -1.75 -0.02 0.00 -1.06 0.00 0.00 42.46 39.50 2kcz s ILE 75 CO -0.05 -0.06 0.38 0.00 -0.10 0.00 0.00 174.94 175.11 2kcz s ALA 76 N 1.42 3.51 0.36 9.38 0.00 -1.22 -1.20 121.76 133.99 2kcz s ALA 76 Ca -0.05 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 2kcz s ALA 76 Cb -0.18 -2.82 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 2kcz s ALA 76 CO -0.07 -1.01 0.76 1.67 0.00 0.00 0.00 175.76 177.11 2kcz s TRP 77 N 2.06 3.41 0.27 0.00 1.48 -1.22 -2.53 118.94 122.41 2kcz s TRP 77 Ca 0.13 1.17 -0.16 0.00 -1.06 0.00 0.00 56.10 56.18 2kcz s TRP 77 Cb -0.16 -2.51 0.01 0.00 -1.16 0.00 0.00 33.47 29.64 2kcz s TRP 77 CO 0.12 0.01 0.59 0.50 -4.06 0.00 0.00 176.95 174.11 2kcz s ARG 78 N -3.31 1.70 0.23 3.25 6.06 -1.25 -4.58 118.95 121.04 2kcz s ARG 78 Ca 0.53 -1.18 -0.06 0.00 -2.50 0.00 0.00 55.73 52.52 2kcz s ARG 78 Cb -0.10 0.53 -0.02 0.00 0.06 0.00 0.00 34.95 35.42 2kcz s ARG 78 CO 0.22 -0.74 0.29 -1.54 -2.50 0.00 0.00 175.30 171.03 2kcz s SER 79 N -2.99 0.09 0.37 -2.12 1.04 -1.24 -3.41 113.70 105.45 2kcz s SER 79 Ca 0.18 -1.20 -0.10 0.00 0.48 0.00 0.00 55.95 55.31 2kcz s SER 79 Cb -0.03 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.50 2kcz s SER 79 CO 0.09 -0.98 0.72 -0.76 0.98 0.00 0.00 173.24 173.28 2kcz s LEU 80 N -3.11 3.90 0.00 2.42 1.02 0.33 -4.58 118.68 118.65 2kcz s LEU 80 Ca 0.32 1.06 0.07 0.00 0.02 0.00 0.00 54.13 55.60 2kcz s LEU 80 Cb 0.03 -3.92 0.42 0.00 0.02 0.00 0.00 46.19 42.74 2kcz s LEU 80 CO 0.11 -0.34 0.94 -0.81 0.02 0.00 0.00 176.35 176.27 2kcz n PRO 81 N -1.14 0.20 0.00 1.29 -0.04 -1.26 -1.08 135.00 132.96 2kcz n PRO 81 Ca 0.02 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2kcz n PRO 81 Cb 0.54 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.79 2kcz n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kcz n GLY 82 N -0.58 -1.01 2.98 0.55 0.00 -1.25 -4.92 105.19 100.95 2kcz n GLY 82 Ca 0.05 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.32 0.00 4.61 0.00 -0.24 -4.48 120.51 117.89 2kcz n ALA 83 Ca 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2kcz n ALA 83 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.27 3.09 -4.82 0.00 3.00 -1.26 -5.03 116.66 108.37 2kcz n ARG 84 Ca 0.13 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.71 2kcz n ARG 84 Cb 0.45 -0.95 -0.16 0.00 0.00 0.00 0.00 32.46 31.80 2kcz n ARG 84 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2kcz s ILE 85 N -1.88 1.44 -0.07 5.15 -1.16 -1.26 -5.13 121.20 118.30 2kcz s ILE 85 Ca 0.00 -0.69 -0.10 0.00 -0.51 0.00 0.00 60.65 59.35 2kcz s ILE 85 Cb 0.00 -1.26 0.02 0.00 0.61 0.00 0.00 42.46 41.83 2kcz s ILE 85 CO 0.00 0.42 0.25 -1.83 -2.81 0.00 0.00 174.94 170.97 2kcz s GLU 86 N 0.30 0.38 0.04 3.50 -1.05 -1.26 -4.99 118.70 115.63 2kcz s GLU 86 Ca -0.10 0.18 0.02 0.00 -0.15 0.00 0.00 54.97 54.91 2kcz s GLU 86 Cb -0.14 0.18 -0.02 0.00 -0.44 0.00 0.00 34.13 33.70 2kcz s GLU 86 CO 0.04 -0.07 -0.06 1.21 0.95 0.00 0.00 175.26 177.33 2kcz s ASN 87 N -0.29 0.69 -0.22 0.83 3.84 -1.26 -5.14 114.94 113.40 2kcz s ASN 87 Ca -0.04 -0.55 -0.10 0.00 0.21 0.00 0.00 52.86 52.38 2kcz s ASN 87 Cb -0.03 0.06 -0.05 0.00 -0.55 0.00 0.00 41.25 40.68 2kcz s ASN 87 CO 0.01 -0.24 0.13 -0.44 -2.79 0.00 0.00 177.10 173.77 2kcz s SER 88 N -1.59 6.06 0.05 -4.21 0.01 -1.26 -4.81 113.70 107.95 2kcz s SER 88 Ca -0.11 0.14 -0.28 0.00 1.31 0.00 0.00 55.95 57.01 2kcz s SER 88 Cb -0.10 -2.07 0.10 0.00 0.21 0.00 0.00 66.02 64.16 2kcz s SER 88 CO -0.00 0.12 1.14 -0.83 0.41 0.00 0.00 173.24 174.08 2kcz s GLY 89 N 0.71 -0.34 -0.08 3.44 0.00 -1.26 -2.21 107.32 107.57 2kcz s GLY 89 Ca 0.07 0.50 -0.04 0.00 0.00 0.00 0.00 44.72 45.25 2kcz s GLY 89 CO 0.01 0.09 0.18 1.85 0.00 0.00 0.00 173.10 175.24 2kcz s GLU 90 N -2.81 0.13 -0.08 2.90 2.12 0.58 -3.37 118.70 118.18 2kcz s GLU 90 Ca 0.13 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.91 2kcz s GLU 90 Cb 0.02 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 2kcz s GLU 90 CO -0.01 -0.17 -0.08 0.14 -0.54 0.00 0.00 175.26 174.59 2kcz s VAL 91 N 1.28 3.59 -0.13 3.70 -7.23 -0.34 -0.88 120.40 120.39 2kcz s VAL 91 Ca -0.09 -0.51 -0.00 0.00 -1.81 0.00 0.00 61.98 59.57 2kcz s VAL 91 Cb -0.11 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.38 2kcz s VAL 91 CO -0.07 0.58 -0.09 -1.48 -0.31 0.00 0.00 175.10 173.73 2kcz s LEU 92 N -0.56 1.34 -0.47 1.32 -0.00 -0.50 -0.46 118.68 119.35 2kcz s LEU 92 Ca 0.08 -0.37 -0.17 0.00 -0.00 0.00 0.00 54.13 53.67 2kcz s LEU 92 Cb -0.12 -0.93 0.06 0.00 -0.00 0.00 0.00 46.19 45.20 2kcz s LEU 92 CO 0.02 -0.11 0.46 -0.36 -0.00 0.00 0.00 176.35 176.37 2kcz s PHE 93 N 1.65 3.17 0.05 3.48 0.40 0.26 -2.66 117.98 124.33 2kcz s PHE 93 Ca 0.05 -0.69 0.09 0.00 -0.60 0.00 0.00 56.93 55.78 2kcz s PHE 93 Cb -0.13 -3.19 -0.03 0.00 0.51 0.00 0.00 43.02 40.18 2kcz s PHE 93 CO -0.09 -0.84 -0.26 -0.98 0.70 0.00 0.00 175.22 173.76 2kcz s ARG 94 N 2.02 1.79 -0.33 0.44 1.70 -1.07 -4.37 118.95 119.13 2kcz s ARG 94 Ca 0.09 -1.12 -0.41 0.00 -0.47 0.00 0.00 55.73 53.82 2kcz s ARG 94 Cb -0.21 -1.99 -0.16 0.00 -0.57 0.00 0.00 34.95 32.02 2kcz s ARG 94 CO 0.10 0.51 1.83 -0.35 -1.08 0.00 0.00 175.30 176.30 2kcz n PRO 95 N 1.68 0.92 -1.73 3.89 -0.04 -1.26 -1.16 135.00 137.30 2kcz n PRO 95 Ca -0.17 0.32 -0.39 0.00 -0.04 0.00 0.00 63.50 63.22 2kcz n PRO 95 Cb 0.52 -2.04 0.03 0.00 -0.04 0.00 0.00 33.50 31.97 2kcz n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kcz n ALA 96 N 6.05 1.60 -1.58 0.55 0.00 0.67 -4.73 120.51 123.08 2kcz n ALA 96 Ca 0.31 0.19 -0.58 0.00 0.00 0.00 0.00 53.44 53.37 2kcz n ALA 96 Cb 0.11 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.14 2kcz n ALA 96 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kcz n PRO 97 N -0.54 0.79 -0.19 0.00 -0.02 -1.26 0.04 135.00 133.83 2kcz n PRO 97 Ca 0.08 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2kcz n PRO 97 Cb 0.43 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2kcz n PRO 97 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcz n GLY 98 N 5.30 0.71 2.50 -1.23 0.00 -1.26 -4.12 105.19 107.09 2kcz n GLY 98 Ca 0.35 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.42 -0.60 0.28 4.61 0.00 0.11 -4.90 120.51 118.58 2kcz n ALA 99 Ca 0.00 0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.76 2kcz n ALA 99 Cb 0.00 -2.43 0.41 0.00 0.00 0.00 0.00 19.45 17.43 2kcz n ALA 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2kcz h ARG 100 N -0.52 0.00 0.00 0.00 2.43 -1.71 -2.32 114.38 112.26 2kcz h ARG 100 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2kcz h ARG 100 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2kcz h ARG 100 CO 0.44 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.31 2kcz n GLY 101 N 0.62 -0.55 2.84 2.80 0.00 -1.26 -4.33 105.19 105.31 2kcz n GLY 101 Ca 0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.29 0.10 -0.13 2.61 2.01 0.39 -0.24 115.64 120.08 2kcz s THR 102 Ca 0.00 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.93 2kcz s THR 102 Cb 0.00 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.30 2kcz s THR 102 CO 0.00 0.09 0.28 -1.83 -0.69 0.00 0.00 174.62 172.46 2kcz s GLU 103 N 0.61 4.08 -0.58 4.92 -1.05 -0.30 -2.61 118.70 123.76 2kcz s GLU 103 Ca -0.06 0.09 -0.19 0.00 -0.15 0.00 0.00 54.97 54.67 2kcz s GLU 103 Cb -0.08 -3.36 0.10 0.00 -0.44 0.00 0.00 34.13 30.35 2kcz s GLU 103 CO -0.01 0.39 0.68 0.54 0.95 0.00 0.00 175.26 177.81 2kcz s VAL 104 N 0.00 4.85 -0.40 1.83 0.11 -0.76 -2.59 120.40 123.45 2kcz s VAL 104 Ca 0.17 -1.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.04 2kcz s VAL 104 Cb -0.13 -4.47 0.01 0.00 -1.53 0.00 0.00 36.38 30.26 2kcz s VAL 104 CO 0.05 -1.09 0.39 -0.69 -3.33 0.00 0.00 175.10 170.43 2kcz s VAL 105 N 2.60 5.14 -0.19 2.04 1.01 -1.09 -3.18 120.40 126.73 2kcz s VAL 105 Ca 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2kcz s VAL 105 Cb -0.24 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2kcz s VAL 105 CO 0.06 -0.31 -0.07 0.68 0.00 0.00 0.00 175.10 175.46 2kcz s VAL 106 N 2.03 3.30 -0.48 2.92 -7.23 -0.98 -1.41 120.40 118.55 2kcz s VAL 106 Ca 0.11 -0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 59.63 2kcz s VAL 106 Cb -0.17 -2.46 0.11 0.00 0.56 0.00 0.00 36.38 34.42 2kcz s VAL 106 CO 0.12 0.46 0.37 -0.60 -0.31 0.00 0.00 175.10 175.14 2kcz s ARG 107 N 1.08 2.62 -0.14 4.82 3.52 -0.06 -3.24 118.95 127.55 2kcz s ARG 107 Ca 0.01 -1.70 0.01 0.00 -0.13 0.00 0.00 55.73 53.92 2kcz s ARG 107 Cb -0.15 -3.99 -0.00 0.00 -1.56 0.00 0.00 34.95 29.25 2kcz s ARG 107 CO -0.01 -1.18 -0.17 -0.51 -0.81 0.00 0.00 175.30 172.62 2kcz s LEU 108 N 1.43 2.42 -0.33 -0.88 1.43 -0.93 -0.30 118.68 121.51 2kcz s LEU 108 Ca 0.05 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 2kcz s LEU 108 Cb -0.26 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 2kcz s LEU 108 CO 0.01 0.11 0.64 -0.89 0.23 0.00 0.00 176.35 176.45 2kcz s THR 109 N 0.67 4.90 0.01 5.49 2.01 -0.94 -2.92 115.64 124.86 2kcz s THR 109 Ca -0.08 0.77 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 2kcz s THR 109 Cb -0.16 -4.04 0.11 0.00 0.01 0.00 0.00 72.50 68.42 2kcz s THR 109 CO 0.02 -0.22 1.18 -0.72 -0.69 0.00 0.00 174.62 174.19 2kcz s TYR 110 N 2.68 -0.08 -0.01 4.92 1.13 -1.26 -4.65 117.35 120.08 2kcz s TYR 110 Ca 0.25 -0.07 -0.00 0.00 -1.41 0.00 0.00 57.07 55.85 2kcz s TYR 110 Cb -0.15 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 2kcz s TYR 110 CO 0.13 -0.42 0.05 1.03 -2.51 0.00 0.00 175.55 173.83 2kcz s ARG 111 N -2.67 2.98 0.99 -3.49 0.52 -1.26 -4.57 118.95 111.45 2kcz s ARG 111 Ca 0.13 -0.51 -0.12 0.00 -0.52 0.00 0.00 55.73 54.70 2kcz s ARG 111 Cb 0.03 -2.80 0.19 0.00 0.52 0.00 0.00 34.95 32.88 2kcz s ARG 111 CO -0.03 0.65 1.09 -1.25 0.02 0.00 0.00 175.30 175.78 2kcz s PRO 112 N -1.61 0.46 0.09 3.54 0.04 -1.26 -4.93 135.00 131.33 2kcz s PRO 112 Ca 0.21 0.56 -0.36 0.00 0.04 0.00 0.00 61.00 61.45 2kcz s PRO 112 Cb -0.12 -1.74 -0.16 0.00 0.04 0.00 0.00 34.50 32.53 2kcz s PRO 112 CO 0.12 -2.72 1.42 -0.35 0.04 0.00 0.00 177.00 175.50 2kcz n PRO 113 N -4.18 1.40 0.01 0.56 -0.04 -1.26 -4.90 135.00 126.60 2kcz n PRO 113 Ca 0.05 0.51 -0.09 0.00 -0.04 0.00 0.00 63.50 63.93 2kcz n PRO 113 Cb 0.57 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 2kcz n PRO 113 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2kcz h GLY 114 N 5.03 -1.28 -1.49 0.55 0.00 -2.03 -2.99 103.07 100.87 2kcz h GLY 114 Ca -0.47 0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2kcz h GLY 114 CO 0.81 -0.37 0.00 0.61 0.00 0.00 0.00 176.54 177.59 2kcz n GLY 115 N -1.25 0.73 0.12 4.60 0.00 -1.26 -4.32 105.19 103.80 2kcz n GLY 115 Ca -0.04 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 3.32 0.00 -0.70 1.61 0.02 -1.94 -3.35 113.55 112.50 2kcz h SER 116 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2kcz h SER 116 Cb 0.74 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 2kcz h SER 116 CO 0.00 0.42 0.32 0.00 -1.14 0.00 0.00 176.83 176.43 2kcz h ALA 117 N 1.58 0.91 -0.11 3.77 0.00 -1.72 -1.98 119.26 121.71 2kcz h ALA 117 Ca -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2kcz h ALA 117 Cb 1.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kcz h ALA 117 CO 0.04 0.49 -0.03 0.78 0.00 0.00 0.00 179.25 180.53 2kcz h GLY 118 N 0.99 0.17 2.00 0.00 0.00 -1.84 -1.24 103.07 103.14 2kcz h GLY 118 Ca 0.24 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 2kcz h GLY 118 CO -0.03 0.08 -0.53 0.00 0.00 0.00 0.00 176.54 176.06 2kcz h ALA 119 N 1.82 1.06 0.04 3.60 0.00 -1.53 -2.28 119.26 121.98 2kcz h ALA 119 Ca 0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kcz h ALA 119 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kcz h ALA 119 CO 0.01 0.66 -0.02 0.28 0.00 0.00 0.00 179.25 180.17 2kcz h VAL 120 N 0.00 1.34 0.00 0.00 2.07 -0.87 -2.89 116.25 115.89 2kcz h VAL 120 Ca -0.01 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 2kcz h VAL 120 Cb 0.97 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2kcz h VAL 120 CO 0.07 0.36 -0.12 0.16 0.02 0.00 0.00 177.57 178.06 2kcz h ILE 121 N -0.74 0.35 0.02 4.57 -0.00 -1.35 0.16 117.51 120.52 2kcz h ILE 121 Ca -0.01 -0.73 -0.23 0.00 -0.00 0.00 0.00 64.86 63.89 2kcz h ILE 121 Cb 0.64 1.55 -0.03 0.00 -0.00 0.00 0.00 36.82 38.98 2kcz h ILE 121 CO 0.01 0.12 -1.13 0.00 -0.00 0.00 0.00 178.15 177.15 2kcz h ALA 122 N 1.88 0.35 0.13 0.16 0.00 -1.49 -3.33 119.26 116.98 2kcz h ALA 122 Ca -0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 54.91 53.58 2kcz h ALA 122 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kcz h ALA 122 CO 0.02 1.24 -1.90 -0.09 0.00 0.00 0.00 179.25 178.52 2kcz h ARG 123 N 0.01 0.28 -0.27 0.00 2.43 -1.20 -3.32 114.38 112.31 2kcz h ARG 123 Ca -0.07 -0.48 0.06 0.00 -0.81 0.00 0.00 59.98 58.68 2kcz h ARG 123 Cb 1.83 0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 31.50 2kcz h ARG 123 CO 0.14 1.19 -0.16 1.98 -1.51 0.00 0.00 179.97 181.61 2kcz h MET 124 N 0.08 -0.13 -0.74 0.20 4.05 -0.85 -3.42 114.93 114.12 2kcz h MET 124 Ca -0.39 0.01 0.17 0.00 -0.28 0.00 0.00 59.70 59.21 2kcz h MET 124 Cb 2.05 0.03 -0.21 0.00 -0.80 0.00 0.00 31.60 32.67 2kcz h MET 124 CO 0.12 -0.09 -0.02 0.12 0.23 0.00 0.00 176.91 177.26 2kcz s PHE 125 N -6.15 -1.00 0.18 1.39 5.36 -1.25 -5.04 117.98 111.47 2kcz s PHE 125 Ca -0.14 1.15 -0.13 0.00 -0.96 0.00 0.00 56.93 56.85 2kcz s PHE 125 Cb 0.12 0.39 0.14 0.00 -0.34 0.00 0.00 43.02 43.33 2kcz s PHE 125 CO 0.69 -0.54 1.79 -0.97 -1.46 0.00 0.00 175.22 174.73 2kcz h ASN 126 N 7.94 0.38 -1.66 6.13 -0.73 -1.79 -3.44 115.58 122.42 2kcz h ASN 126 Ca -0.18 0.03 -0.61 0.00 1.87 0.00 0.00 56.30 57.41 2kcz h ASN 126 Cb 1.16 -0.04 -0.12 0.00 0.27 0.00 0.00 38.32 39.59 2kcz h ASN 126 CO 0.07 0.26 -0.58 0.00 -0.37 0.00 0.00 177.43 176.82 2kcz s GLN 127 N -6.13 2.02 0.32 6.67 -2.07 -1.26 -5.00 119.66 114.21 2kcz s GLN 127 Ca -0.13 -2.03 0.00 0.00 -1.82 0.00 0.00 55.36 51.38 2kcz s GLN 127 Cb 0.14 -1.73 0.00 0.00 -1.09 0.00 0.00 33.01 30.33 2kcz s GLN 127 CO 0.74 -0.06 0.00 0.39 -1.32 0.00 0.00 175.29 175.04 2kcz n GLU 128 N -1.03 -2.03 -1.75 9.60 4.71 -1.26 -4.84 120.64 124.04 2kcz n GLU 128 Ca -0.04 1.60 -0.42 0.00 -0.01 0.00 0.00 57.16 58.29 2kcz n GLU 128 Cb 0.66 -2.09 -0.03 0.00 -1.01 0.00 0.00 31.44 28.98 2kcz n GLU 128 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2kcz s PRO 129 N -4.40 4.14 0.26 3.49 0.04 -1.26 -4.95 135.00 132.31 2kcz s PRO 129 Ca 0.00 2.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.31 2kcz s PRO 129 Cb 0.00 -3.22 -0.10 0.00 0.04 0.00 0.00 34.50 31.22 2kcz s PRO 129 CO 0.00 -0.76 1.32 -1.12 0.04 0.00 0.00 177.00 176.48 2kcz s SER 130 N 1.58 6.83 0.86 6.66 0.01 -1.26 -5.02 113.70 123.36 2kcz s SER 130 Ca 0.76 2.54 -0.03 0.00 1.31 0.00 0.00 55.95 60.52 2kcz s SER 130 Cb -0.48 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.18 2kcz s SER 130 CO 0.33 -0.54 0.34 0.00 0.41 0.00 0.00 173.24 173.78 2kcz n GLN 131 N 1.90 -0.15 -1.27 12.44 1.13 -1.26 -4.91 117.38 125.26 2kcz n GLN 131 Ca 0.04 -0.61 -0.30 0.00 -1.94 0.00 0.00 57.00 54.18 2kcz n GLN 131 Cb 0.42 -0.32 -0.07 0.00 0.11 0.00 0.00 30.24 30.37 2kcz n GLN 131 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2kcz n GLN 132 N -1.70 3.19 -2.45 -1.09 1.13 -1.26 -4.86 117.38 110.34 2kcz n GLN 132 Ca 0.05 -1.92 -0.41 0.00 -1.94 0.00 0.00 57.00 52.78 2kcz n GLN 132 Cb 0.16 -2.51 -0.03 0.00 0.11 0.00 0.00 30.24 27.97 2kcz n GLN 132 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2kcz s LEU 133 N -0.13 3.20 -0.63 1.08 2.96 -1.26 -4.91 118.68 119.00 2kcz s LEU 133 Ca 0.68 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 2kcz s LEU 133 Cb 0.23 -2.60 0.19 0.00 0.50 0.00 0.00 46.19 44.52 2kcz s LEU 133 CO -0.05 -1.92 0.52 -2.11 -1.32 0.00 0.00 176.35 171.47 2kcz n ARG 134 N 9.28 1.64 -0.20 1.98 1.85 -1.26 -4.95 116.66 125.00 2kcz n ARG 134 Ca 0.07 -4.23 -0.05 0.00 -1.00 0.00 0.00 57.85 52.64 2kcz n ARG 134 Cb 0.50 -2.11 0.05 0.00 -1.05 0.00 0.00 32.46 29.84 2kcz n ARG 134 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2kcz h ASP 135 N 5.09 0.56 0.27 2.89 3.32 -1.98 0.18 116.42 126.76 2kcz h ASP 135 Ca 0.18 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2kcz h ASP 135 Cb 0.77 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2kcz h ASP 135 CO 0.67 0.39 -0.13 -0.78 -1.72 0.00 0.00 179.24 177.67 2kcz h ASP 136 N 0.69 -0.31 -0.13 6.45 3.58 -1.99 0.61 116.42 125.32 2kcz h ASP 136 Ca 0.24 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.56 2kcz h ASP 136 Cb 0.03 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2kcz h ASP 136 CO -0.11 -0.20 -0.30 -0.07 -2.88 0.00 0.00 179.24 175.68 2kcz h LEU 137 N -0.39 0.63 -0.43 2.28 -0.00 -1.95 -2.19 115.31 113.26 2kcz h LEU 137 Ca -0.04 -0.25 -0.11 0.00 -0.00 0.00 0.00 57.88 57.49 2kcz h LEU 137 Cb 0.30 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 2kcz h LEU 137 CO 0.06 0.90 -0.15 -0.03 -0.00 0.00 0.00 178.44 179.22 2kcz h MET 138 N 0.53 0.86 -0.48 1.13 4.05 -0.43 0.33 114.93 120.91 2kcz h MET 138 Ca 0.06 -0.35 -0.05 0.00 -0.28 0.00 0.00 59.70 59.09 2kcz h MET 138 Cb 0.79 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 2kcz h MET 138 CO 0.06 0.99 0.10 -0.09 0.23 0.00 0.00 176.91 178.20 2kcz h ARG 139 N 0.68 0.73 -0.01 0.39 2.43 -0.83 -0.23 114.38 117.53 2kcz h ARG 139 Ca 0.10 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2kcz h ARG 139 Cb 0.70 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2kcz h ARG 139 CO 0.05 0.67 0.00 0.35 -1.51 0.00 0.00 179.97 179.54 2kcz h PHE 140 N 0.70 0.02 -0.20 2.20 3.04 -0.89 -2.52 116.94 119.29 2kcz h PHE 140 Ca 0.16 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.15 2kcz h PHE 140 Cb 0.29 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 2kcz h PHE 140 CO 0.01 0.19 -0.06 -0.22 -2.02 0.00 0.00 178.31 176.22 2kcz h LYS 141 N -0.16 -0.01 -0.41 1.11 3.11 0.11 -1.81 116.57 118.50 2kcz h LYS 141 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2kcz h LYS 141 Cb 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 2kcz h LYS 141 CO -0.00 -0.01 0.21 -0.09 -2.81 0.00 0.00 179.45 176.75 2kcz h ARG 142 N -0.01 0.58 0.00 1.90 2.43 -1.06 -2.47 114.38 115.75 2kcz h ARG 142 Ca 0.10 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2kcz h ARG 142 Cb 0.16 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2kcz h ARG 142 CO -0.21 0.49 -0.24 0.93 -1.51 0.00 0.00 179.97 179.43 2kcz h GLU 143 N 0.53 0.00 -0.28 0.20 4.39 -1.23 -0.47 114.58 117.72 2kcz h GLU 143 Ca 0.14 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 2kcz h GLU 143 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2kcz h GLU 143 CO -0.02 0.24 -0.33 1.96 -1.16 0.00 0.00 179.01 179.70 2kcz h GLN 144 N 0.00 0.59 0.11 2.33 1.08 -0.86 0.38 115.11 118.74 2kcz h GLN 144 Ca -0.00 -0.27 -0.28 0.00 -1.45 0.00 0.00 58.65 56.65 2kcz h GLN 144 Cb 0.46 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 27.90 2kcz h GLN 144 CO 0.03 0.85 -1.20 0.93 -0.95 0.00 0.00 178.83 178.49 2kcz h GLU 145 N 0.51 0.44 -0.63 1.46 5.08 -1.23 -3.26 114.58 116.95 2kcz h GLU 145 Ca 0.06 -0.62 -0.08 0.00 -1.00 0.00 0.00 59.36 57.72 2kcz h GLU 145 Cb 0.81 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2kcz h GLU 145 CO 0.07 1.27 0.09 -0.07 -1.00 0.00 0.00 179.01 179.36 2kcz h LEU 146 N 0.18 1.02 -4.52 1.33 3.38 -0.98 0.27 115.31 115.98 2kcz h LEU 146 Ca -0.15 -0.27 -0.44 0.00 0.09 0.00 0.00 57.88 57.11 2kcz h LEU 146 Cb 1.89 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 2kcz h LEU 146 CO 0.21 1.03 1.84 0.61 0.09 0.00 0.00 178.44 182.22 2kcz n GLY 147 N -0.54 3.66 0.00 0.83 0.00 0.13 -3.40 105.19 105.86 2kcz n GLY 147 Ca 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 3.06 0.00 0.00 0.99 7.94 -1.19 -4.92 117.00 122.88 2kcz n LEU 148 Ca 0.62 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 2kcz n LEU 148 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2kcz n LEU 148 CO 0.51 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 178.00 2kcz n GLU 149 N 0.00 0.00 -2.84 1.96 2.13 0.95 -4.84 120.64 117.99 2kcz n GLU 149 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 2kcz n GLU 149 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 2kcz n GLU 149 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kcz s HIS 150 N 0.00 3.14 0.07 4.31 3.76 -1.26 -4.97 115.29 120.34 2kcz s HIS 150 Ca 0.00 0.85 -0.18 0.00 -0.15 0.00 0.00 55.06 55.58 2kcz s HIS 150 Cb 0.00 -3.48 -0.07 0.00 1.11 0.00 0.00 32.58 30.15 2kcz s HIS 150 CO 0.00 -0.71 0.53 -1.01 -0.85 0.00 0.00 174.74 172.70 2kcz s HIS 151 N 3.28 3.76 -0.10 1.40 3.76 -1.26 -5.02 115.29 121.11 2kcz s HIS 151 Ca 0.37 1.18 0.03 0.00 -0.15 0.00 0.00 55.06 56.49 2kcz s HIS 151 Cb -0.13 -2.43 0.00 0.00 1.11 0.00 0.00 32.58 31.13 2kcz s HIS 151 CO 0.16 0.57 -0.22 -3.38 -0.85 0.00 0.00 174.74 171.02 2kcz s HIS 152 N -1.16 2.41 -0.42 1.40 -3.43 -1.26 -5.09 115.29 107.74 2kcz s HIS 152 Ca 0.29 -1.03 -0.29 0.00 -0.80 0.00 0.00 55.06 53.23 2kcz s HIS 152 Cb -0.18 -1.63 0.02 0.00 -1.43 0.00 0.00 32.58 29.35 2kcz s HIS 152 CO 0.18 -0.44 1.29 -1.58 -2.00 0.00 0.00 174.74 172.18 2kcz s HIS 153 N 0.50 2.62 0.00 0.38 2.46 -1.26 -4.67 115.29 115.32 2kcz s HIS 153 Ca -0.16 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.11 2kcz s HIS 153 Cb -0.17 -4.27 0.00 0.00 -0.13 0.00 0.00 32.58 28.01 2kcz s HIS 153 CO 0.06 -1.64 0.00 1.58 -2.47 0.00 0.00 174.74 172.27 2kcz n HIS 154 N 8.22 0.00 -0.54 3.88 -0.00 -0.88 -5.03 115.22 120.87 2kcz n HIS 154 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 2kcz n HIS 154 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2kcz n HIS 154 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95