#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr s VAL 2 N 0.00 1.09 -0.30 0.00 1.01 -0.35 -2.76 120.40 119.09 3kcr s VAL 2 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3kcr s VAL 2 Cb 0.00 -1.04 0.10 0.00 0.00 0.00 0.00 36.38 35.44 3kcr s VAL 2 CO 0.00 0.36 0.11 -0.69 0.00 0.00 0.00 175.10 174.88 3kcr s VAL 3 N 1.08 0.56 0.44 2.92 1.01 -0.75 -4.65 120.40 121.01 3kcr s VAL 3 Ca -0.07 -1.20 -0.06 0.00 0.00 0.00 0.00 61.98 60.66 3kcr s VAL 3 Cb -0.14 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3kcr s VAL 3 CO -0.01 -0.70 0.75 -0.75 0.00 0.00 0.00 175.10 174.39 3kcr s LYS 4 N 1.76 3.58 -0.11 2.72 2.20 -1.26 -3.25 119.74 125.39 3kcr s LYS 4 Ca 0.10 0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 55.85 3kcr s LYS 4 Cb -0.17 -2.42 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 3kcr s LYS 4 CO -0.29 -0.12 0.06 0.00 -0.36 0.00 0.00 175.35 174.64 3kcr n LYS 6 N 2.23 0.92 -1.68 0.00 2.85 -1.26 -4.41 118.16 116.81 3kcr n LYS 6 Ca -0.19 0.37 -0.44 0.00 -1.05 0.00 0.00 58.31 57.00 3kcr n LYS 6 Cb 0.54 -2.48 -0.04 0.00 -0.65 0.00 0.00 35.03 32.40 3kcr n LYS 6 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3kcr n PRO 7 N -2.08 2.57 0.00 -1.58 -0.04 -1.26 -4.15 135.00 128.46 3kcr n PRO 7 Ca 0.15 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 3kcr n PRO 7 Cb 0.48 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 3kcr n PRO 7 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3kcr n THR 8 N 5.01 0.00 -3.81 0.52 -1.04 -0.96 -4.89 114.28 109.10 3kcr n THR 8 Ca 0.20 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.16 3kcr n THR 8 Cb 0.35 0.02 -0.01 0.00 -1.82 0.00 0.00 70.33 68.87 3kcr n THR 8 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3kcr s SER 9 N 0.00 -0.16 -0.57 8.00 1.04 -1.22 -5.02 113.70 115.77 3kcr s SER 9 Ca 0.00 -0.61 -0.21 0.00 0.48 0.00 0.00 55.95 55.61 3kcr s SER 9 Cb 0.00 0.63 0.07 0.00 0.10 0.00 0.00 66.02 66.82 3kcr s SER 9 CO 0.00 -1.18 0.77 -2.16 0.98 0.00 0.00 173.24 171.64 3kcr s PRO 10 N -3.26 3.14 0.00 4.02 0.04 -1.26 -0.78 135.00 136.90 3kcr s PRO 10 Ca 0.13 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.30 3kcr s PRO 10 Cb -0.04 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.35 3kcr s PRO 10 CO 0.06 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 176.04 3kcr n GLY 11 N 5.22 0.83 0.67 0.56 0.00 -1.26 -4.99 105.19 106.22 3kcr n GLY 11 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 3kcr n GLY 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kcr n ARG 12 N -0.14 0.00 -0.02 1.61 0.00 0.04 -4.60 116.66 113.55 3kcr n ARG 12 Ca 0.00 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.85 57.41 3kcr n ARG 12 Cb 0.11 0.41 -0.13 0.00 0.00 0.00 0.00 32.46 32.85 3kcr n ARG 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3kcr n ARG 13 N 0.00 0.65 -0.27 -0.14 0.63 -1.21 -2.27 116.66 114.05 3kcr n ARG 13 Ca -0.12 0.07 0.11 0.00 -0.92 0.00 0.00 57.85 57.00 3kcr n ARG 13 Cb 0.44 -1.66 0.25 0.00 0.45 0.00 0.00 32.46 31.94 3kcr n ARG 13 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3kcr n HIS 14 N -2.73 0.70 -3.61 -0.14 8.25 -1.26 -3.95 115.22 112.47 3kcr n HIS 14 Ca -0.16 -0.38 -0.37 0.00 -0.26 0.00 0.00 57.72 56.55 3kcr n HIS 14 Cb 0.90 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.94 3kcr n HIS 14 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kcr s VAL 15 N -1.20 5.28 0.01 1.59 1.01 -1.26 -4.01 120.40 121.81 3kcr s VAL 15 Ca 0.41 0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.98 3kcr s VAL 15 Cb 0.23 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3kcr s VAL 15 CO 0.30 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 175.07 3kcr s VAL 16 N -0.35 1.19 0.36 2.92 1.01 -1.19 -2.48 120.40 121.85 3kcr s VAL 16 Ca 0.18 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 3kcr s VAL 16 Cb -0.14 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.25 3kcr s VAL 16 CO 0.07 0.24 0.63 -1.59 0.00 0.00 0.00 175.10 174.44 3kcr s LYS 17 N -0.61 2.05 -0.05 2.72 -2.85 -1.11 -4.18 119.74 115.71 3kcr s LYS 17 Ca 0.05 -1.57 0.04 0.00 -1.00 0.00 0.00 55.97 53.49 3kcr s LYS 17 Cb -0.06 0.53 -0.00 0.00 -2.06 0.00 0.00 37.83 36.24 3kcr s LYS 17 CO 0.00 -0.91 -0.18 0.08 0.10 0.00 0.00 175.35 174.45 3kcr s VAL 18 N -2.76 1.48 0.05 1.79 1.01 -1.25 -1.21 120.40 119.51 3kcr s VAL 18 Ca 0.23 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 3kcr s VAL 18 Cb -0.03 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.11 3kcr s VAL 18 CO 0.15 0.43 0.41 -0.69 0.00 0.00 0.00 175.10 175.40 3kcr s VAL 19 N 0.08 0.06 0.14 2.92 1.01 -1.26 -5.02 120.40 118.33 3kcr s VAL 19 Ca -0.05 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 3kcr s VAL 19 Cb -0.12 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.33 3kcr s VAL 19 CO 0.03 -0.25 0.41 0.20 0.00 0.00 0.00 175.10 175.48 3kcr s ASN 20 N -2.04 -0.20 -0.01 3.32 0.01 -1.26 -5.06 114.94 109.71 3kcr s ASN 20 Ca -0.05 -0.42 0.17 0.00 -0.71 0.00 0.00 52.86 51.85 3kcr s ASN 20 Cb -0.01 0.49 -0.21 0.00 0.41 0.00 0.00 41.25 41.93 3kcr s ASN 20 CO -0.03 -0.90 0.59 -0.81 -1.51 0.00 0.00 177.10 174.44 3kcr n PRO 21 N -0.25 1.19 0.19 -0.60 -0.04 -1.26 -3.56 135.00 130.67 3kcr n PRO 21 Ca -0.14 -0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.39 3kcr n PRO 21 Cb 0.63 -1.32 0.23 0.00 -0.04 0.00 0.00 33.50 33.00 3kcr n PRO 21 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3kcr h GLU 22 N 0.00 0.00 -6.45 0.54 9.09 -1.97 -3.19 114.58 112.61 3kcr h GLU 22 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.84 3kcr h GLU 22 Cb 0.52 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.56 3kcr h GLU 22 CO 0.00 0.00 0.88 -1.17 0.05 0.00 0.00 179.01 178.77 3kcr s LEU 23 N -5.79 3.83 0.19 3.06 2.96 -1.23 -4.20 118.68 117.49 3kcr s LEU 23 Ca 0.08 0.87 0.05 0.00 -0.22 0.00 0.00 54.13 54.90 3kcr s LEU 23 Cb 0.07 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 3kcr s LEU 23 CO 0.65 -1.02 -0.08 -1.38 -1.32 0.00 0.00 176.35 173.20 3kcr s HIS 24 N 3.98 1.46 -0.29 5.38 -3.43 -1.21 -4.72 115.29 116.46 3kcr s HIS 24 Ca 0.47 -0.78 -0.29 0.00 -0.80 0.00 0.00 55.06 53.67 3kcr s HIS 24 Cb -0.11 -0.77 -0.01 0.00 -1.43 0.00 0.00 32.58 30.26 3kcr s HIS 24 CO 0.21 0.10 1.52 0.15 -2.00 0.00 0.00 174.74 174.72 3kcr s LYS 25 N -3.77 3.73 0.00 -0.38 1.02 -1.26 -4.80 119.74 114.28 3kcr s LYS 25 Ca 0.22 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.59 3kcr s LYS 25 Cb 0.03 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 3kcr s LYS 25 CO 0.05 -1.37 0.00 0.41 -0.92 0.00 0.00 175.35 173.52 3kcr n GLY 26 N 4.74 3.86 3.20 -3.33 0.00 -1.26 -5.16 105.19 107.25 3kcr n GLY 26 Ca 0.18 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3kcr n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr s LYS 27 N -1.75 0.74 0.05 1.61 -0.14 -1.26 -4.72 119.74 114.27 3kcr s LYS 27 Ca 0.00 -0.63 -0.01 0.00 -1.36 0.00 0.00 55.97 53.97 3kcr s LYS 27 Cb 0.00 0.31 0.01 0.00 -1.68 0.00 0.00 37.83 36.47 3kcr s LYS 27 CO 0.00 -0.22 0.04 -2.30 -0.76 0.00 0.00 175.35 172.10 3kcr n PRO 28 N 0.57 -1.71 -4.40 -1.68 -0.02 -1.26 -5.08 135.00 121.42 3kcr n PRO 28 Ca -0.18 -0.06 -0.20 0.00 -2.02 0.00 0.00 63.50 61.04 3kcr n PRO 28 Cb 0.59 -0.07 -0.10 0.00 -0.02 0.00 0.00 33.50 33.90 3kcr n PRO 28 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3kcr s PHE 29 N -1.05 1.82 0.21 6.00 0.08 -1.26 -5.01 117.98 118.77 3kcr s PHE 29 Ca 0.03 -1.02 -0.14 0.00 0.12 0.00 0.00 56.93 55.92 3kcr s PHE 29 Cb -0.00 -1.15 0.23 0.00 -0.57 0.00 0.00 43.02 41.53 3kcr s PHE 29 CO 0.02 -0.09 1.62 0.00 -0.10 0.00 0.00 175.22 176.67 3kcr h ALA 30 N 2.21 0.39 0.00 5.36 0.00 -1.98 0.20 119.26 125.44 3kcr h ALA 30 Ca -0.40 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kcr h ALA 30 Cb 1.24 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3kcr h ALA 30 CO 0.67 -0.44 0.00 -0.35 0.00 0.00 0.00 179.25 179.13 3kcr n PRO 31 N -5.44 0.00 -0.34 0.00 -0.04 -1.26 -2.35 135.00 125.57 3kcr n PRO 31 Ca 0.08 0.12 0.06 0.00 -0.04 0.00 0.00 63.50 63.72 3kcr n PRO 31 Cb 0.33 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.39 3kcr n PRO 31 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kcr n LEU 32 N -1.11 1.68 0.00 1.53 4.77 0.67 -4.90 117.00 119.64 3kcr n LEU 32 Ca 0.00 -2.57 -0.22 0.00 -0.03 0.00 0.00 56.01 53.19 3kcr n LEU 32 Cb 0.00 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 3kcr n LEU 32 CO 0.00 0.66 0.29 0.18 -1.33 0.00 0.00 177.39 177.19 3kcr n LEU 33 N -0.90 0.00 0.00 2.23 4.77 -0.99 -2.34 117.00 119.77 3kcr n LEU 33 Ca 0.11 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 3kcr n LEU 33 Cb 0.69 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3kcr n LEU 33 CO -0.00 -0.68 0.00 -0.62 -1.33 0.00 0.00 177.39 174.75 3kcr n GLU 34 N -2.16 3.10 -0.61 3.23 1.02 -0.18 -3.34 120.64 121.70 3kcr n GLU 34 Ca 0.11 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.33 3kcr n GLU 34 Cb 0.62 -0.38 -0.02 0.00 -0.02 0.00 0.00 31.44 31.65 3kcr n GLU 34 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3kcr n LYS 35 N -0.16 -1.12 -3.82 3.49 4.81 -1.20 -4.74 118.16 115.41 3kcr n LYS 35 Ca 0.00 0.76 -0.03 0.00 -0.87 0.00 0.00 58.31 58.17 3kcr n LYS 35 Cb 0.00 -1.43 0.01 0.00 0.02 0.00 0.00 35.03 33.63 3kcr n LYS 35 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3kcr s ASN 36 N -3.59 -0.06 0.13 3.14 0.01 -1.26 -4.27 114.94 109.04 3kcr s ASN 36 Ca 0.00 -0.55 0.04 0.00 -0.71 0.00 0.00 52.86 51.64 3kcr s ASN 36 Cb 0.00 0.48 -0.04 0.00 0.41 0.00 0.00 41.25 42.09 3kcr s ASN 36 CO 0.00 -0.92 -0.10 -0.55 -1.51 0.00 0.00 177.10 174.01 3kcr s SER 37 N -3.23 1.73 0.23 -1.22 0.15 -1.26 -4.90 113.70 105.20 3kcr s SER 37 Ca 0.18 -0.96 -0.13 0.00 0.70 0.00 0.00 55.95 55.75 3kcr s SER 37 Cb -0.02 -0.01 -0.08 0.00 -1.71 0.00 0.00 66.02 64.21 3kcr s SER 37 CO 0.04 -0.31 0.60 -0.54 1.20 0.00 0.00 173.24 174.24 3kcr s LYS 38 N -3.47 3.92 0.00 5.44 1.02 -1.26 -5.05 119.74 120.33 3kcr s LYS 38 Ca 0.14 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.58 3kcr s LYS 38 Cb 0.01 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 3kcr s LYS 38 CO 0.00 0.32 0.00 0.43 -0.92 0.00 0.00 175.35 175.19 3kcr n SER 39 N 0.10 0.00 0.00 2.83 7.64 -1.26 -5.00 113.62 117.93 3kcr n SER 39 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kcr n SER 39 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3kcr n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcr n GLY 40 N 3.67 0.39 2.37 0.23 0.00 -1.26 -4.68 105.19 105.90 3kcr n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kcr n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 41 N -1.61 0.70 3.85 -0.02 0.00 -1.26 -4.78 105.19 102.07 3kcr n GLY 41 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3kcr n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcr s ARG 42 N -0.01 3.93 0.00 1.61 0.52 -1.26 -1.67 118.95 122.06 3kcr s ARG 42 Ca 0.00 0.85 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 3kcr s ARG 42 Cb 0.00 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.27 3kcr s ARG 42 CO 0.00 -0.19 0.00 -1.71 0.02 0.00 0.00 175.30 173.42 3kcr n ASN 43 N -1.42 0.00 -0.07 0.23 4.05 -0.39 -4.89 115.26 112.77 3kcr n ASN 43 Ca 0.06 0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.10 3kcr n ASN 43 Cb 0.54 0.00 0.33 0.00 1.23 0.00 0.00 39.78 41.88 3kcr n ASN 43 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 3kcr h ASN 44 N 0.00 0.60 1.01 1.20 2.35 -1.97 -3.26 115.58 115.51 3kcr h ASN 44 Ca 0.00 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3kcr h ASN 44 Cb 0.00 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 3kcr h ASN 44 CO 0.00 0.50 -0.13 0.78 -1.65 0.00 0.00 177.43 176.93 3kcr h ASN 45 N 0.69 0.00 -0.03 5.81 -0.26 -1.98 -3.45 115.58 116.35 3kcr h ASN 45 Ca 0.18 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 3kcr h ASN 45 Cb 0.04 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3kcr h ASN 45 CO -0.03 0.13 -0.01 0.61 -1.06 0.00 0.00 177.43 177.07 3kcr n GLY 46 N 0.15 0.47 3.06 2.83 0.00 -1.23 -5.02 105.19 105.45 3kcr n GLY 46 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 3kcr n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcr s ARG 47 N -1.22 1.54 0.99 1.61 0.52 -1.26 -4.84 118.95 116.28 3kcr s ARG 47 Ca 0.00 -0.46 -0.16 0.00 -0.52 0.00 0.00 55.73 54.59 3kcr s ARG 47 Cb 0.00 -1.33 -0.05 0.00 0.52 0.00 0.00 34.95 34.09 3kcr s ARG 47 CO 0.00 0.13 -0.27 -0.89 0.02 0.00 0.00 175.30 174.29 3kcr n ILE 48 N 3.41 0.00 0.00 1.52 5.41 -1.26 -1.26 119.36 127.18 3kcr n ILE 48 Ca -0.20 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.23 3kcr n ILE 48 Cb 0.53 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 39.14 3kcr n ILE 48 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3kcr n THR 49 N -3.18 0.00 -3.75 1.39 -2.24 -0.67 -4.69 114.28 101.14 3kcr n THR 49 Ca 0.02 -0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3kcr n THR 49 Cb 0.57 0.20 -0.15 0.00 -2.10 0.00 0.00 70.33 68.85 3kcr n THR 49 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kcr s THR 50 N -0.76 -0.06 0.26 4.28 -4.23 -1.26 -5.13 115.64 108.74 3kcr s THR 50 Ca 0.00 0.19 0.06 0.00 -1.18 0.00 0.00 61.69 60.76 3kcr s THR 50 Cb 0.00 -0.23 -0.03 0.00 1.34 0.00 0.00 72.50 73.58 3kcr s THR 50 CO 0.00 0.08 0.36 0.00 -0.54 0.00 0.00 174.62 174.52 3kcr s ARG 51 N 1.21 3.32 0.00 3.99 1.70 -1.26 -4.61 118.95 123.31 3kcr s ARG 51 Ca -0.09 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 3kcr s ARG 51 Cb -0.12 -2.84 0.00 0.00 -0.57 0.00 0.00 34.95 31.42 3kcr s ARG 51 CO -0.06 0.36 0.00 0.72 -1.08 0.00 0.00 175.30 175.24 3kcr n HIS 52 N -1.42 0.00 -3.24 5.89 8.25 -1.26 -4.98 115.22 118.46 3kcr n HIS 52 Ca -0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.01 3kcr n HIS 52 Cb 0.57 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 3kcr n HIS 52 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3kcr n ILE 53 N -2.34 4.14 0.42 1.59 3.06 -1.26 -1.70 119.36 123.27 3kcr n ILE 53 Ca 0.00 -5.59 0.12 0.00 -2.50 0.00 0.00 62.75 54.79 3kcr n ILE 53 Cb 0.04 -2.16 0.28 0.00 0.54 0.00 0.00 39.64 38.33 3kcr n ILE 53 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 3kcr h GLY 54 N 5.25 0.00 0.00 4.50 0.00 -1.80 -3.40 103.07 107.63 3kcr h GLY 54 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3kcr h GLY 54 CO 1.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.26 3kcr n GLY 55 N 1.21 2.36 0.00 4.60 0.00 -1.24 -4.78 105.19 107.33 3kcr n GLY 55 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3kcr n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 56 N 0.00 -0.38 3.21 -0.02 0.00 -1.26 -4.15 105.19 102.58 3kcr n GLY 56 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3kcr n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kcr s HIS 57 N 0.00 -0.18 0.19 1.61 3.76 -1.26 -4.27 115.29 115.13 3kcr s HIS 57 Ca 0.00 0.34 -0.09 0.00 -0.15 0.00 0.00 55.06 55.16 3kcr s HIS 57 Cb 0.00 0.08 0.08 0.00 1.11 0.00 0.00 32.58 33.85 3kcr s HIS 57 CO 0.00 -0.32 1.65 -0.22 -0.85 0.00 0.00 174.74 175.00 3kcr h LYS 58 N 4.37 1.07 0.00 1.40 1.63 -1.98 -3.48 116.57 119.57 3kcr h LYS 58 Ca -0.29 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.17 3kcr h LYS 58 Cb 1.18 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 3kcr h LYS 58 CO 0.38 1.04 0.00 1.04 -3.45 0.00 0.00 179.45 178.46 3kcr n GLN 59 N -4.18 0.00 -3.48 1.90 6.02 -1.26 -4.72 117.38 111.66 3kcr n GLN 59 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 3kcr n GLN 59 Cb 0.35 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.57 3kcr n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kcr s ALA 60 N -1.95 -1.71 0.53 -1.58 0.00 -1.26 -4.74 121.76 111.06 3kcr s ALA 60 Ca 0.00 0.95 0.01 0.00 0.00 0.00 0.00 51.96 52.92 3kcr s ALA 60 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.50 3kcr s ALA 60 CO 0.00 -0.56 0.05 -0.47 0.00 0.00 0.00 175.76 174.78 3kcr s TYR 61 N -2.43 1.73 -0.02 0.00 6.04 -1.26 -4.72 117.35 116.69 3kcr s TYR 61 Ca -0.04 -0.99 -0.22 0.00 0.04 0.00 0.00 57.07 55.86 3kcr s TYR 61 Cb -0.01 -1.62 0.04 0.00 -1.04 0.00 0.00 41.96 39.33 3kcr s TYR 61 CO -0.02 0.11 0.47 -0.98 -1.54 0.00 0.00 175.55 173.59 3kcr s ARG 62 N -3.96 0.87 0.67 4.97 1.70 -1.26 -1.01 118.95 120.93 3kcr s ARG 62 Ca 0.05 -0.05 -0.11 0.00 -0.47 0.00 0.00 55.73 55.15 3kcr s ARG 62 Cb -0.00 0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 3kcr s ARG 62 CO 0.03 -0.27 1.05 -1.50 -1.08 0.00 0.00 175.30 173.53 3kcr s ILE 63 N -1.50 4.24 0.35 4.99 1.10 -0.99 -4.61 121.20 124.78 3kcr s ILE 63 Ca -0.11 0.73 -0.08 0.00 -0.51 0.00 0.00 60.65 60.68 3kcr s ILE 63 Cb -0.02 -3.57 0.02 0.00 0.15 0.00 0.00 42.46 39.04 3kcr s ILE 63 CO 0.05 -0.95 0.60 -0.69 -2.11 0.00 0.00 174.94 171.84 3kcr s VAL 64 N -3.10 0.00 0.06 4.00 1.01 -1.18 -3.85 120.40 117.34 3kcr s VAL 64 Ca 0.57 -1.36 0.09 0.00 0.00 0.00 0.00 61.98 61.29 3kcr s VAL 64 Cb -0.13 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3kcr s VAL 64 CO 0.55 0.00 -0.26 -0.62 0.00 0.00 0.00 175.10 174.77 3kcr s ASP 65 N -3.16 3.10 -0.34 3.32 2.15 -1.26 -4.85 116.67 115.63 3kcr s ASP 65 Ca 0.24 -0.61 0.15 0.00 0.43 0.00 0.00 52.55 52.76 3kcr s ASP 65 Cb -0.02 -0.27 0.43 0.00 -0.30 0.00 0.00 42.92 42.76 3kcr s ASP 65 CO 0.16 0.23 1.19 0.49 -0.17 0.00 0.00 175.17 177.08 3kcr n PHE 66 N 1.64 -0.58 0.13 -5.34 3.01 -1.26 -4.51 117.46 110.55 3kcr n PHE 66 Ca -0.17 -2.26 0.05 0.00 1.01 0.00 0.00 57.45 56.08 3kcr n PHE 66 Cb 0.52 0.61 -0.07 0.00 -0.01 0.00 0.00 39.48 40.53 3kcr n PHE 66 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3kcr n LYS 67 N -0.51 1.25 -3.17 -1.08 4.76 -1.26 -4.33 118.16 113.82 3kcr n LYS 67 Ca 0.01 -0.07 -0.07 0.00 -2.87 0.00 0.00 58.31 55.31 3kcr n LYS 67 Cb 0.84 -1.17 0.02 0.00 -1.84 0.00 0.00 35.03 32.88 3kcr n LYS 67 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kcr n ARG 68 N -1.69 -1.62 -4.03 1.97 5.12 -1.26 -4.82 116.66 110.33 3kcr n ARG 68 Ca -0.01 1.23 -0.12 0.00 -1.93 0.00 0.00 57.85 57.03 3kcr n ARG 68 Cb 0.24 -5.60 -0.04 0.00 -1.16 0.00 0.00 32.46 25.90 3kcr n ARG 68 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3kcr s ASN 69 N -3.14 0.39 0.30 0.55 0.01 -1.26 -4.78 114.94 107.01 3kcr s ASN 69 Ca 0.16 -1.23 -0.16 0.00 -0.71 0.00 0.00 52.86 50.93 3kcr s ASN 69 Cb -0.03 0.64 0.02 0.00 0.41 0.00 0.00 41.25 42.30 3kcr s ASN 69 CO 0.76 -1.26 0.65 -0.75 -1.51 0.00 0.00 177.10 174.99 3kcr s LYS 70 N -3.40 1.84 0.00 -0.60 2.47 -1.26 -4.83 119.74 113.96 3kcr s LYS 70 Ca 0.26 -1.22 -0.21 0.00 -1.56 0.00 0.00 55.97 53.24 3kcr s LYS 70 Cb -0.01 0.56 -0.20 0.00 -1.46 0.00 0.00 37.83 36.73 3kcr s LYS 70 CO 0.15 -0.82 1.16 -0.44 0.16 0.00 0.00 175.35 175.55 3kcr h ASP 71 N 2.07 0.42 0.00 1.43 3.45 -1.86 -0.71 116.42 121.22 3kcr h ASP 71 Ca -0.24 -0.67 0.00 0.00 0.43 0.00 0.00 57.03 56.54 3kcr h ASP 71 Cb 1.25 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3kcr h ASP 71 CO 0.31 1.03 0.00 0.61 -1.57 0.00 0.00 179.24 179.62 3kcr n GLY 72 N 0.78 0.63 3.72 2.75 0.00 -1.26 -4.22 105.19 107.59 3kcr n GLY 72 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3kcr n GLY 72 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kcr n ILE 73 N 0.00 0.72 -2.21 -0.61 2.08 -1.26 -4.90 119.36 113.18 3kcr n ILE 73 Ca 0.00 -0.18 -0.26 0.00 0.56 0.00 0.00 62.75 62.87 3kcr n ILE 73 Cb 0.00 -1.86 0.07 0.00 -0.75 0.00 0.00 39.64 37.11 3kcr n ILE 73 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3kcr s PRO 74 N -0.04 2.13 0.52 0.38 0.02 -1.26 -4.30 135.00 132.46 3kcr s PRO 74 Ca 0.68 -0.30 0.08 0.00 0.02 0.00 0.00 61.00 61.48 3kcr s PRO 74 Cb -0.54 -2.17 0.08 0.00 0.02 0.00 0.00 34.50 31.90 3kcr s PRO 74 CO 0.45 -1.28 0.69 0.00 -0.33 0.00 0.00 177.00 176.52 3kcr n ALA 75 N -2.94 1.08 0.00 -1.55 0.00 -1.10 -4.27 120.51 111.73 3kcr n ALA 75 Ca 0.09 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.61 3kcr n ALA 75 Cb 0.60 0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.60 3kcr n ALA 75 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kcr n VAL 76 N -2.10 0.00 -2.32 0.00 0.24 -0.89 -4.04 118.33 109.22 3kcr n VAL 76 Ca 0.13 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.25 3kcr n VAL 76 Cb 0.55 -0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 32.41 3kcr n VAL 76 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3kcr n VAL 77 N -2.32 -0.84 0.00 3.34 0.31 -1.23 -1.17 118.33 116.42 3kcr n VAL 77 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kcr n VAL 77 Cb 0.36 -2.64 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 3kcr n VAL 77 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kcr n GLU 78 N -2.74 0.00 -4.19 5.55 4.07 0.10 -2.00 120.64 121.43 3kcr n GLU 78 Ca -0.22 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.77 3kcr n GLU 78 Cb 0.66 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.94 3kcr n GLU 78 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3kcr s ARG 79 N 0.00 1.14 -0.14 5.31 0.52 -1.06 -1.65 118.95 123.06 3kcr s ARG 79 Ca 0.00 -1.58 -0.02 0.00 -0.52 0.00 0.00 55.73 53.61 3kcr s ARG 79 Cb 0.00 0.25 0.04 0.00 0.52 0.00 0.00 34.95 35.76 3kcr s ARG 79 CO 0.00 -0.35 0.00 -1.17 0.02 0.00 0.00 175.30 173.80 3kcr s LEU 80 N -3.14 1.06 -0.02 2.53 2.96 -1.24 -2.27 118.68 118.56 3kcr s LEU 80 Ca 0.35 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3kcr s LEU 80 Cb 0.07 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 3kcr s LEU 80 CO 0.09 -0.23 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.26 3kcr s GLU 81 N 1.85 2.77 -0.63 1.98 8.01 -0.01 -4.05 118.70 128.61 3kcr s GLU 81 Ca 0.02 -0.59 -0.26 0.00 0.01 0.00 0.00 54.97 54.15 3kcr s GLU 81 Cb -0.15 -2.65 -0.07 0.00 -4.31 0.00 0.00 34.13 26.95 3kcr s GLU 81 CO -0.07 0.64 2.23 -0.47 0.01 0.00 0.00 175.26 177.60 3kcr s TYR 82 N -1.00 1.30 -0.29 1.61 6.14 -1.26 -2.84 117.35 121.01 3kcr s TYR 82 Ca 0.17 1.39 -0.27 0.00 0.64 0.00 0.00 57.07 59.00 3kcr s TYR 82 Cb -0.11 -3.71 0.01 0.00 0.42 0.00 0.00 41.96 38.56 3kcr s TYR 82 CO 0.07 -2.17 0.96 0.34 0.64 0.00 0.00 175.55 175.39 3kcr s ASP 83 N 10.51 6.87 0.00 4.32 2.15 -1.26 -4.86 116.67 134.40 3kcr s ASP 83 Ca 0.86 0.99 0.24 0.00 0.43 0.00 0.00 52.55 55.07 3kcr s ASP 83 Cb -0.14 -2.49 1.22 0.00 -0.30 0.00 0.00 42.92 41.21 3kcr s ASP 83 CO 0.18 -0.72 1.79 -0.81 -0.17 0.00 0.00 175.17 175.43 3kcr n PRO 84 N 6.48 0.37 -0.18 4.34 -0.04 -1.26 -4.24 135.00 140.46 3kcr n PRO 84 Ca 0.09 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 3kcr n PRO 84 Cb 0.47 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.61 3kcr n PRO 84 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kcr n ASN 85 N -1.27 3.08 -3.74 3.54 4.13 -1.26 -4.97 115.26 114.77 3kcr n ASN 85 Ca 0.12 -1.91 -0.07 0.00 1.68 0.00 0.00 54.58 54.40 3kcr n ASN 85 Cb 0.18 -0.24 -0.02 0.00 -1.54 0.00 0.00 39.78 38.16 3kcr n ASN 85 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3kcr s ARG 86 N -1.12 1.49 0.25 3.52 3.52 -1.26 -4.98 118.95 120.37 3kcr s ARG 86 Ca 0.30 -0.77 -0.08 0.00 -0.13 0.00 0.00 55.73 55.04 3kcr s ARG 86 Cb 0.17 0.54 0.40 0.00 -1.56 0.00 0.00 34.95 34.50 3kcr s ARG 86 CO 0.23 -0.68 1.44 0.43 -0.81 0.00 0.00 175.30 175.91 3kcr n SER 87 N -0.43 -0.36 -4.88 -2.12 7.64 -1.26 -4.53 113.62 107.68 3kcr n SER 87 Ca -0.07 1.59 -0.30 0.00 1.01 0.00 0.00 58.87 61.10 3kcr n SER 87 Cb 0.61 -0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 63.30 3kcr n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kcr s ALA 88 N -6.13 3.40 -0.08 -0.43 0.00 -1.26 -4.82 121.76 112.45 3kcr s ALA 88 Ca -0.14 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.59 3kcr s ALA 88 Cb 0.24 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.76 3kcr s ALA 88 CO 0.71 0.09 -0.07 -0.80 0.00 0.00 0.00 175.76 175.69 3kcr s ASN 89 N -3.04 1.66 0.49 0.00 -0.87 -1.26 -4.71 114.94 107.22 3kcr s ASN 89 Ca 0.50 -0.23 0.00 0.00 -1.57 0.00 0.00 52.86 51.56 3kcr s ASN 89 Cb -0.10 -0.69 0.01 0.00 -0.02 0.00 0.00 41.25 40.45 3kcr s ASN 89 CO 0.29 -0.06 0.72 -0.63 -2.57 0.00 0.00 177.10 174.85 3kcr s ILE 90 N 1.19 3.50 -0.17 0.60 -1.09 -1.13 -4.72 121.20 119.39 3kcr s ILE 90 Ca -0.06 -0.53 -0.08 0.00 -2.23 0.00 0.00 60.65 57.76 3kcr s ILE 90 Cb -0.14 -3.31 0.07 0.00 -1.58 0.00 0.00 42.46 37.50 3kcr s ILE 90 CO -0.02 -0.22 0.39 0.00 -1.23 0.00 0.00 174.94 173.86 3kcr s ALA 91 N -2.65 -1.01 0.19 9.38 0.00 -1.12 -0.83 121.76 125.71 3kcr s ALA 91 Ca 0.52 1.44 -0.32 0.00 0.00 0.00 0.00 51.96 53.60 3kcr s ALA 91 Cb -0.10 -1.03 -0.11 0.00 0.00 0.00 0.00 23.12 21.88 3kcr s ALA 91 CO 0.38 -0.43 1.62 -1.17 0.00 0.00 0.00 175.76 176.16 3kcr s LEU 92 N 1.82 4.37 -0.06 0.00 2.96 -0.96 -1.61 118.68 125.19 3kcr s LEU 92 Ca -0.06 2.72 0.03 0.00 -0.22 0.00 0.00 54.13 56.60 3kcr s LEU 92 Cb -0.10 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 3kcr s LEU 92 CO -0.12 -0.88 -0.14 0.54 -1.32 0.00 0.00 176.35 174.44 3kcr s VAL 93 N 1.06 3.11 -0.29 1.68 0.11 0.44 0.03 120.40 126.54 3kcr s VAL 93 Ca 0.71 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 59.03 3kcr s VAL 93 Cb -0.46 -2.24 0.03 0.00 -1.53 0.00 0.00 36.38 32.19 3kcr s VAL 93 CO 0.33 0.58 0.02 -0.22 -3.33 0.00 0.00 175.10 172.48 3kcr s LEU 94 N -0.57 3.80 0.69 2.54 2.96 -1.26 -1.43 118.68 125.42 3kcr s LEU 94 Ca 0.08 -1.05 -0.11 0.00 -0.22 0.00 0.00 54.13 52.83 3kcr s LEU 94 Cb -0.11 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.82 3kcr s LEU 94 CO 0.01 -0.23 1.06 -0.31 -1.32 0.00 0.00 176.35 175.57 3kcr s TYR 95 N 1.34 3.24 -1.45 5.38 1.51 -0.03 -3.84 117.35 123.51 3kcr s TYR 95 Ca -0.02 1.28 0.11 0.00 -1.01 0.00 0.00 57.07 57.43 3kcr s TYR 95 Cb -0.18 -2.91 0.42 0.00 -0.11 0.00 0.00 41.96 39.17 3kcr s TYR 95 CO -0.00 -1.17 1.28 1.63 -1.11 0.00 0.00 175.55 176.17 3kcr n LYS 96 N -3.06 2.48 -0.06 -0.62 4.76 -1.26 -3.62 118.16 116.78 3kcr n LYS 96 Ca 0.07 -1.65 0.06 0.00 -2.87 0.00 0.00 58.31 53.92 3kcr n LYS 96 Cb 0.55 -1.57 0.09 0.00 -1.84 0.00 0.00 35.03 32.26 3kcr n LYS 96 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kcr n ASP 97 N 0.61 2.37 0.00 4.39 10.43 -1.26 -4.81 116.55 128.28 3kcr n ASP 97 Ca 0.15 -1.68 0.00 0.00 2.57 0.00 0.00 54.79 55.83 3kcr n ASP 97 Cb 0.53 -0.08 0.00 0.00 1.84 0.00 0.00 41.12 43.41 3kcr n ASP 97 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kcr n GLY 98 N 0.70 0.74 3.50 0.44 0.00 -1.26 -5.02 105.19 104.29 3kcr n GLY 98 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3kcr n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kcr s GLU 99 N -0.26 3.73 -0.15 1.61 2.12 -1.24 -5.06 118.70 119.47 3kcr s GLU 99 Ca 0.00 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 54.87 3kcr s GLU 99 Cb 0.00 -3.22 0.04 0.00 0.26 0.00 0.00 34.13 31.21 3kcr s GLU 99 CO 0.00 0.00 -0.03 1.03 -0.54 0.00 0.00 175.26 175.72 3kcr s ARG 100 N 1.08 1.15 0.26 4.30 0.52 -1.26 -0.85 118.95 124.16 3kcr s ARG 100 Ca 0.04 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 3kcr s ARG 100 Cb -0.14 -1.79 -0.00 0.00 0.52 0.00 0.00 34.95 33.53 3kcr s ARG 100 CO 0.03 -0.43 0.46 -0.98 0.02 0.00 0.00 175.30 174.40 3kcr s ARG 101 N 1.74 1.58 0.11 3.54 1.70 -0.51 -4.98 118.95 122.14 3kcr s ARG 101 Ca 0.02 -1.34 0.03 0.00 -0.47 0.00 0.00 55.73 53.97 3kcr s ARG 101 Cb -0.15 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 3kcr s ARG 101 CO -0.07 -0.65 0.16 0.71 -1.08 0.00 0.00 175.30 174.36 3kcr s TYR 102 N -3.87 3.29 -0.00 5.89 4.12 -1.26 -0.42 117.35 125.09 3kcr s TYR 102 Ca 0.24 0.09 -0.10 0.00 0.02 0.00 0.00 57.07 57.32 3kcr s TYR 102 Cb -0.00 -1.62 0.01 0.00 -1.52 0.00 0.00 41.96 38.83 3kcr s TYR 102 CO 0.11 0.53 0.20 -1.50 0.02 0.00 0.00 175.55 174.91 3kcr s ILE 103 N -1.58 0.08 0.00 2.71 2.07 -0.64 -3.08 121.20 120.76 3kcr s ILE 103 Ca 0.32 -0.62 0.00 0.00 -1.41 0.00 0.00 60.65 58.94 3kcr s ILE 103 Cb -0.11 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 41.97 3kcr s ILE 103 CO 0.25 -0.34 0.43 -0.11 -1.91 0.00 0.00 174.94 173.26 3kcr n LEU 104 N 1.37 0.00 -0.66 8.50 7.94 -1.26 -2.79 117.00 130.10 3kcr n LEU 104 Ca -0.22 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 3kcr n LEU 104 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 3kcr n LEU 104 CO 0.21 0.00 -0.20 0.00 -1.11 0.00 0.00 177.39 176.30 3kcr n ALA 105 N -1.12 -1.37 -1.15 1.96 0.00 -1.26 -4.36 120.51 113.20 3kcr n ALA 105 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3kcr n ALA 105 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3kcr n ALA 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kcr n PRO 106 N -1.50 2.14 -1.91 0.00 -0.04 -1.26 -4.68 135.00 127.74 3kcr n PRO 106 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 3kcr n PRO 106 Cb 0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.54 3kcr n PRO 106 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3kcr s LYS 107 N 0.70 3.58 0.00 0.54 1.02 -0.72 -3.75 119.74 121.11 3kcr s LYS 107 Ca 0.00 1.81 0.00 0.00 0.02 0.00 0.00 55.97 57.80 3kcr s LYS 107 Cb 0.00 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.14 3kcr s LYS 107 CO 0.00 -1.57 0.00 0.41 -0.92 0.00 0.00 175.35 173.27 3kcr n GLY 108 N 5.08 2.71 0.83 -3.33 0.00 -1.26 -4.97 105.19 104.25 3kcr n GLY 108 Ca 0.22 -1.44 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 3kcr n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kcr n LEU 109 N 0.00 -0.27 -4.23 0.99 4.77 -1.26 -4.74 117.00 112.26 3kcr n LEU 109 Ca 0.00 -1.54 -0.13 0.00 -0.03 0.00 0.00 56.01 54.32 3kcr n LEU 109 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3kcr n LEU 109 CO 0.00 1.05 -0.28 -0.54 -1.33 0.00 0.00 177.39 176.29 3kcr s LYS 110 N 0.00 1.16 0.87 3.23 -0.14 -0.85 -3.61 119.74 120.41 3kcr s LYS 110 Ca 0.05 -1.60 -0.14 0.00 -1.36 0.00 0.00 55.97 52.92 3kcr s LYS 110 Cb 0.05 0.01 0.00 0.00 -1.68 0.00 0.00 37.83 36.22 3kcr s LYS 110 CO -0.02 -0.28 0.40 0.00 -0.76 0.00 0.00 175.35 174.69 3kcr n ALA 111 N -0.27 -2.35 -1.00 5.17 0.00 -0.66 -4.09 120.51 117.32 3kcr n ALA 111 Ca -0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 53.44 52.93 3kcr n ALA 111 Cb 0.65 -1.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 3kcr n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 112 N 1.64 0.47 3.07 0.00 0.00 -0.76 -4.83 105.19 104.79 3kcr n GLY 112 Ca 0.07 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3kcr n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcr s ASP 113 N -2.26 2.46 -0.21 1.61 1.01 -0.31 -4.94 116.67 114.02 3kcr s ASP 113 Ca 0.00 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.83 3kcr s ASP 113 Cb 0.00 -1.11 0.05 0.00 1.01 0.00 0.00 42.92 42.88 3kcr s ASP 113 CO 0.00 0.03 -0.05 -1.10 0.21 0.00 0.00 175.17 174.27 3kcr s GLN 114 N 0.88 1.52 -0.27 8.23 -0.21 -1.26 -2.09 119.66 126.46 3kcr s GLN 114 Ca -0.09 -0.81 -0.12 0.00 0.02 0.00 0.00 55.36 54.36 3kcr s GLN 114 Cb -0.15 -2.40 -0.05 0.00 1.00 0.00 0.00 33.01 31.41 3kcr s GLN 114 CO 0.00 -0.55 0.22 0.42 -2.12 0.00 0.00 175.29 173.26 3kcr s ILE 115 N 1.50 5.29 -0.01 1.08 1.01 -1.26 -4.55 121.20 124.26 3kcr s ILE 115 Ca -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.85 3kcr s ILE 115 Cb -0.18 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 3kcr s ILE 115 CO -0.07 0.25 0.04 -1.10 0.00 0.00 0.00 174.94 174.05 3kcr s GLN 116 N 1.72 0.17 -0.03 2.79 -0.21 -1.26 -2.71 119.66 120.14 3kcr s GLN 116 Ca 0.09 -0.17 0.04 0.00 0.02 0.00 0.00 55.36 55.33 3kcr s GLN 116 Cb -0.16 0.07 -0.00 0.00 1.00 0.00 0.00 33.01 33.92 3kcr s GLN 116 CO 0.10 -0.03 -0.13 -1.12 -2.12 0.00 0.00 175.29 171.99 3kcr s SER 117 N -0.54 1.66 0.00 5.90 0.01 -0.27 -4.08 113.70 116.38 3kcr s SER 117 Ca -0.06 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.94 3kcr s SER 117 Cb -0.04 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.83 3kcr s SER 117 CO -0.00 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.39 3kcr n GLY 118 N 3.06 3.40 1.00 3.44 0.00 -1.26 -3.98 105.19 110.85 3kcr n GLY 118 Ca -0.17 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 43.91 3kcr n GLY 118 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kcr n VAL 119 N 0.00 0.93 -0.84 1.61 0.24 -1.26 -3.74 118.33 115.27 3kcr n VAL 119 Ca 0.00 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 3kcr n VAL 119 Cb 0.00 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 3kcr n VAL 119 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3kcr n ASP 120 N 0.73 0.00 0.00 -1.34 8.00 -1.26 -4.39 116.55 118.29 3kcr n ASP 120 Ca 0.16 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.64 3kcr n ASP 120 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3kcr n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kcr n ALA 121 N 0.00 0.00 -2.22 2.24 0.00 -1.25 -4.80 120.51 114.48 3kcr n ALA 121 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kcr n ALA 121 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3kcr n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr s ALA 122 N -1.20 1.25 -0.25 0.00 0.00 -1.26 -4.73 121.76 115.57 3kcr s ALA 122 Ca 0.00 -1.62 -0.24 0.00 0.00 0.00 0.00 51.96 50.11 3kcr s ALA 122 Cb 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 3kcr s ALA 122 CO 0.00 -0.43 0.78 -1.50 0.00 0.00 0.00 175.76 174.61 3kcr s ILE 123 N -3.85 4.86 0.00 0.00 2.07 -1.26 -4.70 121.20 118.31 3kcr s ILE 123 Ca 0.28 1.42 0.00 0.00 -1.41 0.00 0.00 60.65 60.95 3kcr s ILE 123 Cb 0.07 -4.08 0.00 0.00 0.13 0.00 0.00 42.46 38.58 3kcr s ILE 123 CO 0.06 -0.08 0.00 2.29 -1.91 0.00 0.00 174.94 175.30 3kcr n LYS 124 N 5.98 0.00 -1.47 3.50 2.85 -1.26 -5.08 118.16 122.68 3kcr n LYS 124 Ca 0.04 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.83 3kcr n LYS 124 Cb 0.48 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 3kcr n LYS 124 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3kcr n PRO 125 N -1.18 0.46 -0.81 -1.58 -0.02 -1.26 -3.43 135.00 127.18 3kcr n PRO 125 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3kcr n PRO 125 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3kcr n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kcr n GLY 126 N 1.74 0.80 3.32 -1.23 0.00 -1.24 -4.97 105.19 103.61 3kcr n GLY 126 Ca 0.15 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 3kcr n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kcr s ASN 127 N -2.58 2.17 -0.01 1.61 0.02 -1.22 -4.15 114.94 110.78 3kcr s ASN 127 Ca 0.00 -1.09 -0.06 0.00 -1.02 0.00 0.00 52.86 50.69 3kcr s ASN 127 Cb 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 41.25 41.21 3kcr s ASN 127 CO 0.00 -0.33 0.12 -0.89 0.02 0.00 0.00 177.10 176.02 3kcr s THR 128 N -3.20 0.06 0.27 1.60 2.01 -1.26 -3.51 115.64 111.61 3kcr s THR 128 Ca 0.23 -0.49 -0.21 0.00 0.31 0.00 0.00 61.69 61.53 3kcr s THR 128 Cb 0.02 -0.34 0.04 0.00 0.01 0.00 0.00 72.50 72.24 3kcr s THR 128 CO 0.06 -0.27 0.82 -1.48 -0.69 0.00 0.00 174.62 173.06 3kcr s LEU 129 N -0.93 -0.15 -0.24 4.42 2.34 -1.26 -4.18 118.68 118.68 3kcr s LEU 129 Ca -0.10 -0.70 -0.19 0.00 0.06 0.00 0.00 54.13 53.20 3kcr s LEU 129 Cb -0.06 2.56 -0.03 0.00 -0.56 0.00 0.00 46.19 48.11 3kcr s LEU 129 CO 0.01 -1.29 0.55 -2.16 -1.06 0.00 0.00 176.35 172.39 3kcr s PRO 130 N -3.21 4.11 -0.29 1.48 0.04 -1.26 -4.44 135.00 131.42 3kcr s PRO 130 Ca 0.13 0.41 -0.13 0.00 0.04 0.00 0.00 61.00 61.45 3kcr s PRO 130 Cb -0.04 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 3kcr s PRO 130 CO 0.07 -0.32 0.27 -1.64 0.04 0.00 0.00 177.00 175.42 3kcr s MET 131 N 2.19 3.85 0.00 4.56 -1.94 -0.63 -4.77 119.30 122.56 3kcr s MET 131 Ca 0.23 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 3kcr s MET 131 Cb -0.16 -3.70 0.00 0.00 2.01 0.00 0.00 34.83 32.99 3kcr s MET 131 CO 0.09 -0.29 0.55 2.89 -0.01 0.00 0.00 175.02 178.25 3kcr n ARG 132 N 5.19 0.00 0.00 2.03 1.85 -1.25 -4.33 116.66 120.15 3kcr n ARG 132 Ca -0.12 -0.44 0.00 0.00 -1.00 0.00 0.00 57.85 56.29 3kcr n ARG 132 Cb 0.51 0.34 0.00 0.00 -1.05 0.00 0.00 32.46 32.26 3kcr n ARG 132 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3kcr n ASN 133 N 0.00 0.00 -4.91 2.89 0.23 -1.26 -4.87 115.26 107.34 3kcr n ASN 133 Ca -0.12 -0.04 -0.27 0.00 -0.53 0.00 0.00 54.58 53.62 3kcr n ASN 133 Cb 0.47 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.16 3kcr n ASN 133 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3kcr s ILE 134 N 0.00 4.95 0.44 1.53 -4.36 -1.26 -5.05 121.20 117.46 3kcr s ILE 134 Ca 0.00 0.08 -0.24 0.00 -0.26 0.00 0.00 60.65 60.23 3kcr s ILE 134 Cb 0.00 -3.84 -0.08 0.00 1.25 0.00 0.00 42.46 39.80 3kcr s ILE 134 CO 0.00 -0.69 1.23 -2.16 0.24 0.00 0.00 174.94 173.56 3kcr s PRO 135 N -4.42 3.79 1.00 0.37 0.04 -1.26 -5.04 135.00 129.49 3kcr s PRO 135 Ca 0.46 1.96 -0.19 0.00 0.04 0.00 0.00 61.00 63.27 3kcr s PRO 135 Cb -0.10 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.91 3kcr s PRO 135 CO 0.40 -0.58 -0.46 1.33 0.04 0.00 0.00 177.00 177.72 3kcr n VAL 136 N -0.27 0.00 -0.67 -0.36 0.24 -1.26 -4.42 118.33 111.59 3kcr n VAL 136 Ca 0.06 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3kcr n VAL 136 Cb 0.46 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 3kcr n VAL 136 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kcr n GLY 137 N 2.69 0.82 3.81 7.63 0.00 -0.72 -4.78 105.19 114.65 3kcr n GLY 137 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3kcr n GLY 137 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kcr s SER 138 N -2.93 5.61 0.11 1.61 0.01 -1.26 -4.14 113.70 112.72 3kcr s SER 138 Ca 0.00 1.72 0.10 0.00 1.31 0.00 0.00 55.95 59.08 3kcr s SER 138 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 3kcr s SER 138 CO 0.00 -1.29 -0.25 0.42 0.41 0.00 0.00 173.24 172.54 3kcr s THR 139 N -2.73 2.39 0.00 1.44 -4.23 -1.26 -4.18 115.64 107.07 3kcr s THR 139 Ca 0.61 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 3kcr s THR 139 Cb -0.15 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3kcr s THR 139 CO 0.45 0.15 0.00 1.33 -0.54 0.00 0.00 174.62 176.01 3kcr n VAL 140 N 1.06 0.00 -0.68 2.29 0.24 -1.07 -1.20 118.33 118.97 3kcr n VAL 140 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3kcr n VAL 140 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3kcr n VAL 140 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcr n HIS 141 N 0.00 0.00 -3.52 6.34 1.44 -1.13 -0.91 115.22 117.45 3kcr n HIS 141 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 3kcr n HIS 141 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 3kcr n HIS 141 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 3kcr s ASN 142 N 0.00 -0.43 0.01 4.39 3.84 -1.25 -4.19 114.94 117.30 3kcr s ASN 142 Ca 0.00 -0.08 -0.08 0.00 0.21 0.00 0.00 52.86 52.91 3kcr s ASN 142 Cb 0.00 0.52 0.00 0.00 -0.55 0.00 0.00 41.25 41.22 3kcr s ASN 142 CO 0.00 -0.86 0.15 -0.69 -2.79 0.00 0.00 177.10 172.91 3kcr s VAL 143 N -3.47 0.09 0.26 -5.21 1.01 -1.24 -1.09 120.40 110.74 3kcr s VAL 143 Ca 0.04 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.36 3kcr s VAL 143 Cb -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 3kcr s VAL 143 CO -0.09 -0.40 -0.08 -1.61 0.00 0.00 0.00 175.10 172.92 3kcr s GLU 144 N -1.60 1.51 -0.00 2.72 2.02 -0.93 -3.38 118.70 119.03 3kcr s GLU 144 Ca -0.13 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.12 3kcr s GLU 144 Cb -0.06 -1.18 -0.01 0.00 0.10 0.00 0.00 34.13 32.98 3kcr s GLU 144 CO 0.01 0.08 0.01 -1.33 0.02 0.00 0.00 175.26 174.05 3kcr n MET 145 N -0.54 0.50 -4.22 1.61 2.81 -1.26 -2.92 117.12 113.09 3kcr n MET 145 Ca -0.06 -0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.58 3kcr n MET 145 Cb 0.63 -0.98 -0.07 0.00 -0.71 0.00 0.00 33.22 32.09 3kcr n MET 145 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3kcr s LYS 146 N -1.96 2.42 0.54 0.03 1.02 -1.26 -4.82 119.74 115.71 3kcr s LYS 146 Ca -0.00 -1.19 0.22 0.00 0.02 0.00 0.00 55.97 55.02 3kcr s LYS 146 Cb 0.00 -2.32 1.41 0.00 -0.52 0.00 0.00 37.83 36.40 3kcr s LYS 146 CO 0.02 0.42 2.09 -1.35 -0.92 0.00 0.00 175.35 175.61 3kcr h PRO 147 N 2.34 0.00 -0.01 -1.68 0.11 -1.86 -1.22 132.00 129.68 3kcr h PRO 147 Ca -0.46 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3kcr h PRO 147 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3kcr h PRO 147 CO 0.59 0.00 -0.50 0.78 -0.21 0.00 0.00 178.00 178.66 3kcr h GLY 148 N 0.00 0.02 -0.68 -0.55 0.00 -1.88 -3.39 103.07 96.60 3kcr h GLY 148 Ca 0.11 -0.03 -0.46 0.00 0.00 0.00 0.00 47.33 46.95 3kcr h GLY 148 CO -0.00 0.02 0.36 1.25 0.00 0.00 0.00 176.54 178.17 3kcr s LYS 149 N -3.90 1.52 -0.01 4.80 2.20 -0.46 -4.92 119.74 118.97 3kcr s LYS 149 Ca -0.02 0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 3kcr s LYS 149 Cb 0.13 -1.89 -0.07 0.00 -1.51 0.00 0.00 37.83 34.49 3kcr s LYS 149 CO 0.75 -1.91 0.08 0.41 -0.36 0.00 0.00 175.35 174.32 3kcr n GLY 150 N -2.84 -0.20 0.19 5.54 0.00 -1.26 -4.61 105.19 102.01 3kcr n GLY 150 Ca 0.08 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3kcr n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 151 N 2.32 -2.10 0.18 -0.02 0.00 -1.22 -4.67 105.19 99.68 3kcr n GLY 151 Ca -0.02 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3kcr n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLN 152 N -2.70 0.00 -4.38 1.61 10.64 -1.26 -4.99 117.38 116.30 3kcr n GLN 152 Ca -0.01 -0.51 -0.30 0.00 -1.83 0.00 0.00 57.00 54.35 3kcr n GLN 152 Cb 0.09 -0.38 -0.12 0.00 -0.86 0.00 0.00 30.24 28.97 3kcr n GLN 152 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3kcr s LEU 153 N 0.00 2.65 -1.15 2.61 2.96 -1.26 -4.58 118.68 119.91 3kcr s LEU 153 Ca 0.00 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 3kcr s LEU 153 Cb 0.00 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.17 3kcr s LEU 153 CO 0.00 0.19 0.97 0.00 -1.32 0.00 0.00 176.35 176.19 3kcr n ALA 154 N 0.95 -1.81 -0.58 5.97 0.00 -1.26 -3.97 120.51 119.82 3kcr n ALA 154 Ca -0.16 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.38 3kcr n ALA 154 Cb 0.53 -2.72 0.32 0.00 0.00 0.00 0.00 19.45 17.58 3kcr n ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kcr n ARG 155 N -4.06 3.46 -3.85 0.00 1.74 -1.26 -4.67 116.66 108.02 3kcr n ARG 155 Ca -0.23 -2.76 -0.11 0.00 -0.77 0.00 0.00 57.85 53.97 3kcr n ARG 155 Cb 0.65 -1.78 -0.09 0.00 -1.02 0.00 0.00 32.46 30.21 3kcr n ARG 155 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3kcr s SER 156 N -1.03 0.01 0.02 0.55 0.01 -1.26 -4.43 113.70 107.56 3kcr s SER 156 Ca 0.47 -0.23 -0.19 0.00 1.31 0.00 0.00 55.95 57.31 3kcr s SER 156 Cb 0.30 0.24 -0.10 0.00 0.21 0.00 0.00 66.02 66.68 3kcr s SER 156 CO 0.23 -0.44 0.48 0.00 0.41 0.00 0.00 173.24 173.91 3kcr n ALA 157 N 1.16 -2.02 -1.18 1.44 0.00 -1.26 -4.74 120.51 113.92 3kcr n ALA 157 Ca -0.21 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3kcr n ALA 157 Cb 0.57 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3kcr n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 158 N 0.77 -3.93 2.95 0.00 0.00 0.65 -4.77 105.19 100.86 3kcr n GLY 158 Ca 0.10 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 3kcr n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kcr s THR 159 N -4.30 1.27 -2.09 2.61 2.01 -1.25 -4.65 115.64 109.25 3kcr s THR 159 Ca 0.00 -0.47 0.26 0.00 0.31 0.00 0.00 61.69 61.79 3kcr s THR 159 Cb 0.00 -1.26 0.27 0.00 0.01 0.00 0.00 72.50 71.52 3kcr s THR 159 CO 0.00 0.39 1.48 -1.22 -0.69 0.00 0.00 174.62 174.58 3kcr n TYR 160 N 4.86 0.00 -1.69 4.92 4.01 -1.26 -4.81 117.16 123.19 3kcr n TYR 160 Ca -0.14 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.15 3kcr n TYR 160 Cb 0.50 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.43 3kcr n TYR 160 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kcr n VAL 161 N -0.16 0.09 -3.79 -0.72 0.31 -1.26 -5.01 118.33 107.79 3kcr n VAL 161 Ca 0.13 -0.02 -0.37 0.00 -0.01 0.00 0.00 64.34 64.07 3kcr n VAL 161 Cb 0.40 -1.80 -0.06 0.00 -0.91 0.00 0.00 33.84 31.47 3kcr n VAL 161 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3kcr s GLN 162 N 1.48 3.57 -0.22 5.55 0.74 -1.26 -3.98 119.66 125.55 3kcr s GLN 162 Ca 0.79 -0.01 -0.21 0.00 0.05 0.00 0.00 55.36 55.98 3kcr s GLN 162 Cb -0.59 -3.20 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 3kcr s GLN 162 CO 0.37 0.74 0.65 0.42 -0.55 0.00 0.00 175.29 176.92 3kcr s ILE 163 N -0.99 4.99 -0.14 -2.34 1.01 -1.26 -2.39 121.20 120.08 3kcr s ILE 163 Ca 0.17 1.21 0.17 0.00 0.00 0.00 0.00 60.65 62.20 3kcr s ILE 163 Cb -0.13 -3.96 -0.24 0.00 0.01 0.00 0.00 42.46 38.14 3kcr s ILE 163 CO 0.06 0.07 0.31 1.33 0.00 0.00 0.00 174.94 176.71 3kcr n VAL 164 N 4.90 1.29 -3.51 2.92 0.24 -1.01 -1.75 118.33 121.41 3kcr n VAL 164 Ca -0.00 -0.80 -0.13 0.00 -2.04 0.00 0.00 64.34 61.37 3kcr n VAL 164 Cb 0.49 -0.57 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 3kcr n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcr s ALA 165 N -2.65 -1.78 0.48 2.33 0.00 -1.24 -5.00 121.76 113.89 3kcr s ALA 165 Ca -0.08 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.08 3kcr s ALA 165 Cb 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3kcr s ALA 165 CO 0.83 -0.50 0.29 1.03 0.00 0.00 0.00 175.76 177.41 3kcr s ARG 166 N -2.10 2.29 0.00 0.00 0.52 -1.26 -1.63 118.95 116.77 3kcr s ARG 166 Ca -0.03 -1.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.26 3kcr s ARG 166 Cb -0.01 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.41 3kcr s ARG 166 CO -0.01 -0.36 0.00 -0.25 0.02 0.00 0.00 175.30 174.71 3kcr n ASP 167 N -1.51 0.00 0.00 0.23 8.00 -1.26 -4.75 116.55 117.26 3kcr n ASP 167 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3kcr n ASP 167 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3kcr n ASP 167 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kcr n GLY 168 N 0.00 0.79 0.00 0.44 0.00 -1.26 -4.44 105.19 100.72 3kcr n GLY 168 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kcr n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr n ALA 169 N 1.00 0.00 -1.92 4.61 0.00 -1.26 -3.97 120.51 118.97 3kcr n ALA 169 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcr n ALA 169 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3kcr n ALA 169 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kcr n TYR 170 N 0.00 0.00 -0.40 0.00 9.36 -0.84 -4.15 117.16 121.14 3kcr n TYR 170 Ca 0.00 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.08 3kcr n TYR 170 Cb 0.10 0.13 -0.01 0.00 -0.63 0.00 0.00 39.34 38.93 3kcr n TYR 170 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 3kcr n VAL 171 N 0.00 0.33 -3.70 2.97 0.24 -0.85 -0.99 118.33 116.33 3kcr n VAL 171 Ca 0.00 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.34 61.86 3kcr n VAL 171 Cb 0.44 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.71 3kcr n VAL 171 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3kcr s THR 172 N -0.16 5.28 0.18 3.34 2.01 -0.64 -1.08 115.64 124.57 3kcr s THR 172 Ca 0.21 0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.46 3kcr s THR 172 Cb -0.29 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3kcr s THR 172 CO 0.16 0.37 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.48 3kcr s LEU 173 N 0.91 2.53 -0.45 4.42 1.43 -0.95 -2.40 118.68 124.17 3kcr s LEU 173 Ca 0.07 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 3kcr s LEU 173 Cb -0.13 -1.29 0.08 0.00 0.03 0.00 0.00 46.19 44.88 3kcr s LEU 173 CO 0.03 0.13 0.33 -0.60 0.23 0.00 0.00 176.35 176.47 3kcr s ARG 174 N -2.58 2.76 0.02 1.70 3.52 -1.01 -2.70 118.95 120.66 3kcr s ARG 174 Ca 0.20 -1.46 -0.00 0.00 -0.13 0.00 0.00 55.73 54.34 3kcr s ARG 174 Cb -0.09 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 3kcr s ARG 174 CO 0.10 -1.02 0.01 1.28 -0.81 0.00 0.00 175.30 174.86 3kcr n LEU 175 N 5.04 0.00 -0.58 -0.88 4.77 -0.50 -4.19 117.00 120.65 3kcr n LEU 175 Ca -0.11 -0.01 0.14 0.00 -0.03 0.00 0.00 56.01 55.99 3kcr n LEU 175 Cb 0.43 -0.01 0.43 0.00 -2.33 0.00 0.00 43.42 41.94 3kcr n LEU 175 CO 0.43 -1.43 0.82 0.54 -1.33 0.00 0.00 177.39 176.42 3kcr n ARG 176 N -1.68 1.81 -0.02 3.23 1.74 -1.26 -2.10 116.66 118.38 3kcr n ARG 176 Ca 0.00 -1.17 0.01 0.00 -0.77 0.00 0.00 57.85 55.92 3kcr n ARG 176 Cb 0.01 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 29.99 3kcr n ARG 176 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3kcr n SER 177 N 0.42 1.61 0.00 0.55 7.64 -1.26 -5.01 113.62 117.57 3kcr n SER 177 Ca 0.18 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 58.14 3kcr n SER 177 Cb 0.41 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3kcr n SER 177 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcr n GLY 178 N -0.49 0.90 3.77 0.23 0.00 -0.89 -3.05 105.19 105.67 3kcr n GLY 178 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3kcr n GLY 178 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kcr s GLU 179 N -0.02 3.89 -0.23 1.61 2.02 -1.23 -3.98 118.70 120.76 3kcr s GLU 179 Ca 0.00 1.98 -0.10 0.00 0.02 0.00 0.00 54.97 56.87 3kcr s GLU 179 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.56 3kcr s GLU 179 CO 0.00 -0.50 0.14 -1.64 0.02 0.00 0.00 175.26 173.28 3kcr s MET 180 N -2.40 4.07 -0.03 1.61 -1.94 0.12 -1.42 119.30 119.31 3kcr s MET 180 Ca 0.59 -0.28 -0.01 0.00 -1.71 0.00 0.00 55.69 54.29 3kcr s MET 180 Cb -0.34 -3.47 0.03 0.00 2.01 0.00 0.00 34.83 33.06 3kcr s MET 180 CO 0.42 0.12 0.05 0.50 -0.01 0.00 0.00 175.02 176.11 3kcr s ARG 181 N 0.86 0.00 -0.27 2.03 6.06 -1.10 -0.30 118.95 126.23 3kcr s ARG 181 Ca 0.07 0.20 -0.21 0.00 -2.50 0.00 0.00 55.73 53.29 3kcr s ARG 181 Cb -0.13 -0.19 -0.01 0.00 0.06 0.00 0.00 34.95 34.68 3kcr s ARG 181 CO 0.03 -0.14 0.65 0.15 -2.50 0.00 0.00 175.30 173.49 3kcr s LYS 182 N 0.90 4.04 -0.08 5.12 -0.14 0.13 -2.25 119.74 127.46 3kcr s LYS 182 Ca -0.07 0.49 0.05 0.00 -1.36 0.00 0.00 55.97 55.08 3kcr s LYS 182 Cb -0.10 -3.68 -0.00 0.00 -1.68 0.00 0.00 37.83 32.36 3kcr s LYS 182 CO -0.03 -0.48 -0.24 0.08 -0.76 0.00 0.00 175.35 173.92 3kcr s VAL 183 N 2.58 1.99 0.40 3.17 1.01 -0.16 -4.74 120.40 124.66 3kcr s VAL 183 Ca 0.27 -1.00 0.16 0.00 0.00 0.00 0.00 61.98 61.41 3kcr s VAL 183 Cb -0.15 -1.71 0.17 0.00 0.00 0.00 0.00 36.38 34.68 3kcr s VAL 183 CO 0.10 0.55 1.93 -0.33 0.00 0.00 0.00 175.10 177.35 3kcr h GLU 184 N 6.47 0.00 0.00 2.72 4.39 -1.84 -2.07 114.58 124.24 3kcr h GLU 184 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3kcr h GLU 184 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3kcr h GLU 184 CO 0.47 0.25 0.00 0.00 -1.16 0.00 0.00 179.01 178.57 3kcr n ALA 185 N -2.44 0.00 -2.77 3.43 0.00 -1.26 -4.05 120.51 113.41 3kcr n ALA 185 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3kcr n ALA 185 Cb 0.32 -0.35 0.05 0.00 0.00 0.00 0.00 19.45 19.46 3kcr n ALA 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kcr n ASP 186 N 1.40 1.85 -3.71 0.00 8.00 -1.26 -1.60 116.55 121.23 3kcr n ASP 186 Ca 0.00 -2.16 -0.11 0.00 0.71 0.00 0.00 54.79 53.22 3kcr n ASP 186 Cb 0.00 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 40.53 3kcr n ASP 186 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kcr s ARG 188 N 0.90 2.79 0.02 0.00 1.81 -1.15 -3.28 118.95 120.05 3kcr s ARG 188 Ca -0.05 -0.09 -0.30 0.00 -1.72 0.00 0.00 55.73 53.56 3kcr s ARG 188 Cb -0.06 -4.77 -0.05 0.00 -0.45 0.00 0.00 34.95 29.62 3kcr s ARG 188 CO -0.07 -2.86 1.19 0.00 -0.68 0.00 0.00 175.30 172.88 3kcr s ALA 189 N 8.54 3.41 -0.03 2.13 0.00 -1.26 -2.20 121.76 132.36 3kcr s ALA 189 Ca 0.62 0.75 0.01 0.00 0.00 0.00 0.00 51.96 53.34 3kcr s ALA 189 Cb -0.08 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3kcr s ALA 189 CO 0.07 -0.54 -0.02 0.99 0.00 0.00 0.00 175.76 176.27 3kcr s THR 190 N 1.46 4.04 0.47 0.00 2.01 -0.25 -4.20 115.64 119.16 3kcr s THR 190 Ca 0.57 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 3kcr s THR 190 Cb -0.27 -2.76 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 3kcr s THR 190 CO 0.27 0.45 0.86 -0.76 -0.69 0.00 0.00 174.62 174.75 3kcr s LEU 191 N -1.31 3.69 0.18 4.42 1.43 -1.23 -2.83 118.68 123.03 3kcr s LEU 191 Ca 0.17 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 3kcr s LEU 191 Cb -0.11 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 41.90 3kcr s LEU 191 CO 0.07 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 176.74 3kcr n GLY 192 N -1.60 -2.88 3.66 -3.19 0.00 -0.34 -3.68 105.19 97.15 3kcr n GLY 192 Ca 0.04 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 3kcr n GLY 192 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kcr n GLU 193 N -2.58 -0.33 -2.10 1.61 1.02 -1.24 -2.61 120.64 114.41 3kcr n GLU 193 Ca -0.02 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.70 3kcr n GLU 193 Cb 0.19 -2.35 -0.00 0.00 -0.02 0.00 0.00 31.44 29.26 3kcr n GLU 193 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kcr s VAL 194 N -2.52 2.74 1.04 2.62 0.11 -0.09 -1.76 120.40 122.54 3kcr s VAL 194 Ca 0.68 0.62 -0.21 0.00 -2.93 0.00 0.00 61.98 60.13 3kcr s VAL 194 Cb -0.24 -3.34 -0.05 0.00 -1.53 0.00 0.00 36.38 31.22 3kcr s VAL 194 CO 0.57 0.05 -0.62 0.61 -3.33 0.00 0.00 175.10 172.38 3kcr n GLY 195 N 0.62 -2.94 1.13 6.54 0.00 -1.25 -2.73 105.19 106.57 3kcr n GLY 195 Ca 0.05 -0.55 0.15 0.00 0.00 0.00 0.00 46.02 45.67 3kcr n GLY 195 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kcr n ASN 196 N 0.98 -6.80 -0.31 1.61 4.13 -1.26 -0.26 115.26 113.35 3kcr n ASN 196 Ca 0.00 0.78 0.00 0.00 1.68 0.00 0.00 54.58 57.05 3kcr n ASN 196 Cb 0.65 -3.65 0.00 0.00 -1.54 0.00 0.00 39.78 35.24 3kcr n ASN 196 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kcr n ALA 197 N -3.07 1.54 0.79 5.41 0.00 -1.26 -0.88 120.51 123.04 3kcr n ALA 197 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.53 3kcr n ALA 197 Cb 0.53 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.25 3kcr n ALA 197 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kcr n GLU 198 N 0.00 2.15 -0.68 0.00 1.02 -1.26 -4.02 120.64 117.85 3kcr n GLU 198 Ca 0.00 -1.73 -0.10 0.00 -0.02 0.00 0.00 57.16 55.30 3kcr n GLU 198 Cb 0.46 -1.46 0.03 0.00 -0.02 0.00 0.00 31.44 30.45 3kcr n GLU 198 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kcr n HIS 199 N 0.97 1.03 -1.97 -0.32 8.25 -1.26 -2.21 115.22 119.72 3kcr n HIS 199 Ca 0.18 -1.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.14 3kcr n HIS 199 Cb 0.49 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.86 3kcr n HIS 199 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kcr n MET 200 N 0.55 0.00 0.00 -0.41 0.00 -1.26 -4.99 117.12 111.02 3kcr n MET 200 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.90 3kcr n MET 200 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.84 3kcr n MET 200 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3kcr n LEU 201 N 0.00 0.72 -4.07 3.17 4.77 -0.94 -4.99 117.00 115.67 3kcr n LEU 201 Ca 0.00 -0.72 -0.08 0.00 -0.03 0.00 0.00 56.01 55.18 3kcr n LEU 201 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 3kcr n LEU 201 CO 0.00 0.18 -0.29 0.00 -1.33 0.00 0.00 177.39 175.95 3kcr s ARG 202 N -0.28 0.77 0.00 3.23 1.70 -1.25 -2.11 118.95 121.01 3kcr s ARG 202 Ca 0.00 -1.25 0.05 0.00 -0.47 0.00 0.00 55.73 54.06 3kcr s ARG 202 Cb 0.00 0.25 0.08 0.00 -0.57 0.00 0.00 34.95 34.71 3kcr s ARG 202 CO 0.00 -0.19 0.88 1.33 -1.08 0.00 0.00 175.30 176.24 3kcr n VAL 203 N 0.01 0.00 -4.61 4.99 0.24 -1.26 -4.94 118.33 112.76 3kcr n VAL 203 Ca -0.11 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3kcr n VAL 203 Cb 0.62 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 3kcr n VAL 203 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3kcr n LEU 204 N 0.10 0.00 0.00 1.34 4.77 -1.26 -4.84 117.00 117.10 3kcr n LEU 204 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3kcr n LEU 204 Cb 0.73 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 3kcr n LEU 204 CO -0.03 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 3kcr n GLY 205 N 0.00 0.20 3.83 -0.72 0.00 -1.26 -3.20 105.19 104.04 3kcr n GLY 205 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3kcr n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kcr s LYS 206 N 0.00 2.03 0.26 1.61 -2.85 -1.26 -4.59 119.74 114.94 3kcr s LYS 206 Ca 0.00 -1.25 0.09 0.00 -1.00 0.00 0.00 55.97 53.81 3kcr s LYS 206 Cb 0.00 0.60 0.33 0.00 -2.06 0.00 0.00 37.83 36.71 3kcr s LYS 206 CO 0.00 -0.94 1.60 0.00 0.10 0.00 0.00 175.35 176.11 3kcr h ALA 207 N 2.00 0.95 -0.23 0.59 0.00 -2.00 -3.13 119.26 117.44 3kcr h ALA 207 Ca -0.28 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 3kcr h ALA 207 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3kcr h ALA 207 CO 0.35 0.76 0.03 0.78 0.00 0.00 0.00 179.25 181.17 3kcr h GLY 208 N 1.77 0.36 0.99 0.00 0.00 -1.98 -1.61 103.07 102.58 3kcr h GLY 208 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.17 3kcr h GLY 208 CO 0.08 0.17 0.63 0.00 0.00 0.00 0.00 176.54 177.42 3kcr h ALA 209 N 1.71 1.37 0.00 3.60 0.00 -1.94 -1.32 119.26 122.67 3kcr h ALA 209 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kcr h ALA 209 Cb 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kcr h ALA 209 CO 0.00 0.56 -1.41 0.00 0.00 0.00 0.00 179.25 178.40 3kcr n ALA 210 N -2.39 3.20 0.46 0.00 0.00 -1.09 -4.04 120.51 116.66 3kcr n ALA 210 Ca 0.12 -0.45 -0.20 0.00 0.00 0.00 0.00 53.44 52.91 3kcr n ALA 210 Cb 0.07 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 3kcr n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr h ARG 211 N 0.00 -1.19 -0.02 0.00 2.47 -0.24 0.02 114.38 115.43 3kcr h ARG 211 Ca 0.00 0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3kcr h ARG 211 Cb 0.85 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 3kcr h ARG 211 CO 0.00 -0.79 0.00 -2.67 0.56 0.00 0.00 179.97 177.07 3kcr n TRP 212 N -5.63 0.00 -1.14 3.04 2.14 -1.17 -0.33 117.44 114.35 3kcr n TRP 212 Ca -0.15 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.48 3kcr n TRP 212 Cb 0.51 -0.00 0.21 0.00 -0.81 0.00 0.00 31.31 31.21 3kcr n TRP 212 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 3kcr n ARG 213 N -0.47 2.14 -0.08 -2.67 5.12 -0.11 -4.22 116.66 116.37 3kcr n ARG 213 Ca 0.00 -2.85 0.00 0.00 -1.93 0.00 0.00 57.85 53.07 3kcr n ARG 213 Cb 0.01 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 29.59 3kcr n ARG 213 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kcr n GLY 214 N -0.95 -3.00 3.52 -0.13 0.00 0.55 -4.66 105.19 100.53 3kcr n GLY 214 Ca 0.22 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3kcr n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr s VAL 215 N -0.76 0.00 -0.03 1.61 0.11 -1.18 -4.62 120.40 115.53 3kcr s VAL 215 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 3kcr s VAL 215 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3kcr s VAL 215 CO 0.00 0.00 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.58 3kcr s ARG 216 N -2.37 0.81 1.13 1.54 0.52 -0.69 -2.27 118.95 117.62 3kcr s ARG 216 Ca 0.01 -0.20 -0.13 0.00 -0.52 0.00 0.00 55.73 54.89 3kcr s ARG 216 Cb -0.01 -0.78 0.26 0.00 0.52 0.00 0.00 34.95 34.94 3kcr s ARG 216 CO -0.04 0.03 1.04 -1.25 0.02 0.00 0.00 175.30 175.11 3kcr s PRO 217 N 0.43 -0.63 -0.12 3.54 0.04 -1.26 -4.61 135.00 132.40 3kcr s PRO 217 Ca -0.06 0.74 0.01 0.00 0.04 0.00 0.00 61.00 61.73 3kcr s PRO 217 Cb -0.10 -1.60 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 3kcr s PRO 217 CO 0.00 -3.50 -0.17 0.99 0.04 0.00 0.00 177.00 174.36 3kcr s THR 218 N -2.59 2.70 0.10 1.26 2.01 -1.26 -5.00 115.64 112.85 3kcr s THR 218 Ca 0.68 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.94 3kcr s THR 218 Cb -0.23 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 3kcr s THR 218 CO 0.63 0.54 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.40 3kcr s VAL 219 N 0.38 3.95 0.29 3.82 1.01 -1.26 -5.11 120.40 123.48 3kcr s VAL 219 Ca -0.13 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 3kcr s VAL 219 Cb -0.17 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 3kcr s VAL 219 CO 0.06 0.10 0.76 -0.13 0.00 0.00 0.00 175.10 175.90 3kcr s ARG 220 N -2.35 4.16 0.09 2.72 0.52 -1.26 -4.99 118.95 117.85 3kcr s ARG 220 Ca 0.26 0.83 -0.20 0.00 -0.52 0.00 0.00 55.73 56.09 3kcr s ARG 220 Cb -0.11 -2.63 -0.09 0.00 0.52 0.00 0.00 34.95 32.63 3kcr s ARG 220 CO 0.18 0.25 1.64 0.78 0.02 0.00 0.00 175.30 178.17 3kcr h GLY 221 N 2.80 0.30 1.56 -3.53 0.00 -1.94 -2.93 103.07 99.32 3kcr h GLY 221 Ca -0.48 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3kcr h GLY 221 CO 0.65 0.15 0.03 -0.37 0.00 0.00 0.00 176.54 177.00 3kcr n THR 222 N -4.85 1.30 -1.42 4.70 5.66 -1.25 -3.27 114.28 115.15 3kcr n THR 222 Ca -0.04 0.36 0.00 0.00 -3.05 0.00 0.00 64.05 61.32 3kcr n THR 222 Cb 0.12 -1.36 0.20 0.00 -1.55 0.00 0.00 70.33 67.74 3kcr n THR 222 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kcr n ALA 223 N -1.31 3.90 0.01 1.79 0.00 -1.11 -4.42 120.51 119.38 3kcr n ALA 223 Ca 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.36 3kcr n ALA 223 Cb 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3kcr n ALA 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3kcr n MET 224 N -1.09 0.00 -3.87 0.00 2.81 -1.26 -4.99 117.12 108.71 3kcr n MET 224 Ca 0.28 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 56.07 3kcr n MET 224 Cb 0.91 -0.01 -0.08 0.00 -0.71 0.00 0.00 33.22 33.33 3kcr n MET 224 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3kcr s ASN 225 N -4.31 0.09 0.12 7.83 -0.87 -1.26 -4.78 114.94 111.77 3kcr s ASN 225 Ca 0.00 -0.48 -0.11 0.00 -1.57 0.00 0.00 52.86 50.70 3kcr s ASN 225 Cb 0.00 0.28 0.11 0.00 -0.02 0.00 0.00 41.25 41.62 3kcr s ASN 225 CO 0.00 -0.59 0.85 -0.81 -2.57 0.00 0.00 177.10 173.99 3kcr n PRO 226 N 0.53 -0.14 0.27 -0.60 -0.04 -1.26 -1.88 135.00 131.87 3kcr n PRO 226 Ca -0.18 0.84 0.10 0.00 -0.04 0.00 0.00 63.50 64.23 3kcr n PRO 226 Cb 0.60 -1.25 0.72 0.00 -0.04 0.00 0.00 33.50 33.52 3kcr n PRO 226 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3kcr h VAL 227 N 0.00 0.85 0.00 0.52 -1.51 -1.96 -0.74 116.25 113.41 3kcr h VAL 227 Ca 0.18 -0.08 -0.14 0.00 -1.23 0.00 0.00 66.70 65.43 3kcr h VAL 227 Cb 0.32 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 3kcr h VAL 227 CO -0.54 0.02 -1.06 0.44 -1.23 0.00 0.00 177.57 175.20 3kcr h ASP 228 N 0.00 0.00 0.00 4.19 3.45 -1.70 -3.46 116.42 118.89 3kcr h ASP 228 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3kcr h ASP 228 Cb 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 3kcr h ASP 228 CO 0.00 0.54 0.00 1.57 -1.57 0.00 0.00 179.24 179.78 3kcr n HIS 229 N -3.01 0.00 -3.35 4.55 -0.00 -0.32 -4.97 115.22 108.12 3kcr n HIS 229 Ca -0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.27 3kcr n HIS 229 Cb 0.79 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.69 3kcr n HIS 229 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3kcr s PRO 230 N -0.44 3.73 0.00 1.57 0.04 -1.00 -3.86 135.00 135.04 3kcr s PRO 230 Ca 0.00 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.85 3kcr s PRO 230 Cb 0.00 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.78 3kcr s PRO 230 CO 0.00 -0.48 0.00 0.72 0.04 0.00 0.00 177.00 177.28 3kcr n HIS 231 N 5.47 0.00 0.00 0.56 8.25 -1.26 -4.82 115.22 123.42 3kcr n HIS 231 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3kcr n HIS 231 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 3kcr n HIS 231 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kcr n GLY 232 N 0.09 0.52 0.00 -1.41 0.00 -1.20 -1.55 105.19 101.64 3kcr n GLY 232 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3kcr n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 233 N 0.54 3.58 0.00 -0.02 0.00 -1.22 -4.06 105.19 104.01 3kcr n GLY 233 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3kcr n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 234 N -0.60 4.39 4.02 -0.02 0.00 -1.26 -4.74 105.19 106.98 3kcr n GLY 234 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 3kcr n GLY 234 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kcr n GLU 235 N -1.52 -3.91 0.00 1.61 2.13 -1.26 -3.57 120.64 114.12 3kcr n GLU 235 Ca 0.00 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.28 3kcr n GLU 235 Cb 0.00 -5.01 0.00 0.00 0.27 0.00 0.00 31.44 26.70 3kcr n GLU 235 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kcr n GLY 236 N -1.67 0.78 2.52 8.31 0.00 -1.26 -4.92 105.19 108.95 3kcr n GLY 236 Ca -0.09 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 3kcr n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr n ARG 237 N 0.00 0.60 -1.73 1.61 1.74 -1.23 -4.80 116.66 112.85 3kcr n ARG 237 Ca 0.00 -2.49 -0.40 0.00 -0.77 0.00 0.00 57.85 54.19 3kcr n ARG 237 Cb 0.00 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.03 3kcr n ARG 237 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kcr n ASN 238 N 2.05 2.89 0.00 0.55 5.03 -1.26 -4.79 115.26 119.73 3kcr n ASN 238 Ca 0.18 1.08 0.00 0.00 0.87 0.00 0.00 54.58 56.71 3kcr n ASN 238 Cb 0.56 -1.56 0.00 0.00 -1.02 0.00 0.00 39.78 37.76 3kcr n ASN 238 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3kcr n PHE 239 N -0.40 0.00 -0.85 3.10 -0.00 -0.59 -3.22 117.46 115.50 3kcr n PHE 239 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 3kcr n PHE 239 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.90 3kcr n PHE 239 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kcr n GLY 240 N 0.00 0.84 3.88 7.13 0.00 -1.26 -4.88 105.19 110.90 3kcr n GLY 240 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3kcr n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr s LYS 241 N -0.15 3.46 0.51 1.61 1.02 -1.26 -5.08 119.74 119.85 3kcr s LYS 241 Ca 0.00 -0.16 -0.22 0.00 0.02 0.00 0.00 55.97 55.61 3kcr s LYS 241 Cb 0.00 -3.16 -0.06 0.00 -0.52 0.00 0.00 37.83 34.09 3kcr s LYS 241 CO 0.00 0.75 1.32 -1.01 -0.92 0.00 0.00 175.35 175.49 3kcr s HIS 242 N -1.11 2.45 0.49 3.18 3.76 -1.26 -4.94 115.29 117.85 3kcr s HIS 242 Ca 0.19 1.40 -0.19 0.00 -0.15 0.00 0.00 55.06 56.31 3kcr s HIS 242 Cb -0.12 -3.71 -0.08 0.00 1.11 0.00 0.00 32.58 29.77 3kcr s HIS 242 CO 0.08 -2.56 0.99 -1.25 -0.85 0.00 0.00 174.74 171.15 3kcr s PRO 243 N -2.80 3.93 0.06 8.40 0.04 -1.26 -5.02 135.00 138.35 3kcr s PRO 243 Ca 0.68 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.89 3kcr s PRO 243 Cb -0.38 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 3kcr s PRO 243 CO 0.45 -0.29 -0.15 0.14 0.04 0.00 0.00 177.00 177.19 3kcr s VAL 244 N -2.34 1.19 1.13 -0.36 -7.23 -1.26 -3.75 120.40 107.78 3kcr s VAL 244 Ca 0.62 -1.19 -0.17 0.00 -1.81 0.00 0.00 61.98 59.42 3kcr s VAL 244 Cb -0.12 -1.10 0.18 0.00 0.56 0.00 0.00 36.38 35.90 3kcr s VAL 244 CO 0.24 -0.10 0.28 0.35 -0.31 0.00 0.00 175.10 175.56 3kcr n THR 245 N 1.54 0.00 -0.06 5.32 -2.24 0.16 -4.84 114.28 114.17 3kcr n THR 245 Ca -0.20 -0.16 0.13 0.00 -2.27 0.00 0.00 64.05 61.56 3kcr n THR 245 Cb 0.54 -0.62 0.54 0.00 -2.10 0.00 0.00 70.33 68.69 3kcr n THR 245 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3kcr h PRO 246 N -2.56 0.30 -0.54 -0.78 0.11 -1.98 -2.57 132.00 123.99 3kcr h PRO 246 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kcr h PRO 246 Cb 1.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kcr h PRO 246 CO 0.28 0.20 0.00 0.91 -0.21 0.00 0.00 178.00 179.18 3kcr n TRP 247 N -4.46 0.77 -1.00 0.65 8.01 -1.26 -4.87 117.44 115.28 3kcr n TRP 247 Ca 0.09 -0.33 -0.00 0.00 -1.31 0.00 0.00 57.50 55.96 3kcr n TRP 247 Cb 0.41 -0.11 -0.00 0.00 -2.01 0.00 0.00 31.31 29.60 3kcr n TRP 247 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kcr n GLY 248 N 0.90 0.45 3.71 6.99 0.00 -0.97 -5.00 105.19 111.27 3kcr n GLY 248 Ca 0.15 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 3kcr n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcr s VAL 249 N -2.00 4.25 0.83 1.61 1.01 -1.26 -4.86 120.40 119.98 3kcr s VAL 249 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 3kcr s VAL 249 Cb 0.00 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3kcr s VAL 249 CO 0.00 0.29 0.42 0.00 0.00 0.00 0.00 175.10 175.81 3kcr n GLN 250 N 1.07 0.04 -0.00 2.72 1.13 -1.25 0.36 117.38 121.46 3kcr n GLN 250 Ca -0.13 0.06 0.07 0.00 -1.94 0.00 0.00 57.00 55.06 3kcr n GLN 250 Cb 0.52 -1.81 -0.09 0.00 0.11 0.00 0.00 30.24 28.98 3kcr n GLN 250 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3kcr n THR 251 N -2.89 0.00 -3.86 5.09 -1.04 -1.26 -4.45 114.28 105.87 3kcr n THR 251 Ca 0.08 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.05 61.82 3kcr n THR 251 Cb 0.52 0.93 -0.09 0.00 -1.82 0.00 0.00 70.33 69.86 3kcr n THR 251 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kcr s LYS 252 N -2.48 0.58 0.04 -2.82 1.02 -1.26 -5.00 119.74 109.81 3kcr s LYS 252 Ca 0.05 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.55 3kcr s LYS 252 Cb 0.11 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 3kcr s LYS 252 CO 0.62 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 3kcr n GLY 253 N 1.12 -3.96 0.00 -3.33 0.00 -1.26 -5.09 105.19 92.66 3kcr n GLY 253 Ca -0.21 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3kcr n GLY 253 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kcr n LYS 254 N 0.32 0.00 -4.22 1.61 2.85 -1.26 -5.13 118.16 112.34 3kcr n LYS 254 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 3kcr n LYS 254 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 3kcr n LYS 254 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3kcr s LYS 255 N -2.64 0.97 -0.07 -1.58 -0.14 -1.26 -5.15 119.74 109.86 3kcr s LYS 255 Ca 0.00 -1.36 -0.01 0.00 -1.36 0.00 0.00 55.97 53.24 3kcr s LYS 255 Cb 0.00 -0.52 0.03 0.00 -1.68 0.00 0.00 37.83 35.66 3kcr s LYS 255 CO 0.00 0.06 -0.01 0.95 -0.76 0.00 0.00 175.35 175.58 3kcr s THR 256 N -3.20 0.48 0.00 2.17 -4.23 -1.26 -5.10 115.64 104.50 3kcr s THR 256 Ca 0.13 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 3kcr s THR 256 Cb 0.02 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.26 3kcr s THR 256 CO -0.01 0.27 0.00 -1.14 -0.54 0.00 0.00 174.62 173.20 3kcr n ARG 257 N 4.99 0.00 -0.79 3.99 3.00 -1.26 -5.10 116.66 121.49 3kcr n ARG 257 Ca -0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.72 3kcr n ARG 257 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.93 3kcr n ARG 257 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3kcr n SER 258 N 0.00 -0.38 0.01 6.15 7.64 -1.26 -4.90 113.62 120.88 3kcr n SER 258 Ca 0.00 -1.57 -0.12 0.00 1.01 0.00 0.00 58.87 58.18 3kcr n SER 258 Cb 0.00 0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 3kcr n SER 258 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3kcr h ASN 259 N 0.06 0.01 -2.37 6.43 2.35 -2.02 -3.47 115.58 116.58 3kcr h ASN 259 Ca -0.27 -0.21 -0.31 0.00 -0.55 0.00 0.00 56.30 54.96 3kcr h ASN 259 Cb 1.27 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 3kcr h ASN 259 CO -0.12 0.22 -0.41 0.29 -1.65 0.00 0.00 177.43 175.76 3kcr n LYS 260 N -4.98 -1.52 0.00 0.81 5.02 -1.26 -4.72 118.16 111.51 3kcr n LYS 260 Ca -0.07 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3kcr n LYS 260 Cb 0.13 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 3kcr n LYS 260 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3kcr n ARG 261 N -2.58 0.80 0.19 1.97 0.63 -1.26 -4.82 116.66 111.58 3kcr n ARG 261 Ca -0.18 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.82 3kcr n ARG 261 Cb 0.64 -0.16 0.30 0.00 0.45 0.00 0.00 32.46 33.69 3kcr n ARG 261 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 3kcr h THR 262 N 0.00 0.79 0.00 5.15 1.35 -1.99 -3.04 112.91 115.17 3kcr h THR 262 Ca 0.00 -1.56 -0.01 0.00 -0.55 0.00 0.00 66.41 64.30 3kcr h THR 262 Cb 0.00 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3kcr h THR 262 CO 0.00 0.35 -0.03 0.44 -0.25 0.00 0.00 175.52 176.03 3kcr h ASP 263 N 0.00 0.00 1.48 5.36 5.19 -1.87 -1.44 116.42 125.14 3kcr h ASP 263 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 3kcr h ASP 263 Cb 0.96 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 3kcr h ASP 263 CO 0.05 0.03 -0.32 0.11 -3.12 0.00 0.00 179.24 175.98 3kcr h LYS 264 N 0.00 0.00 0.00 3.56 1.57 -1.89 -3.18 116.57 116.64 3kcr h LYS 264 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kcr h LYS 264 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3kcr h LYS 264 CO 0.00 0.32 -1.21 1.19 -0.57 0.00 0.00 179.45 179.19 3kcr n PHE 265 N -3.23 0.41 -3.21 -1.35 3.72 -0.59 -4.72 117.46 108.48 3kcr n PHE 265 Ca 0.02 0.12 -0.39 0.00 -0.05 0.00 0.00 57.45 57.15 3kcr n PHE 265 Cb 0.62 -0.59 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 3kcr n PHE 265 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3kcr s ILE 266 N -3.31 4.98 -0.27 4.37 -1.09 -0.89 0.22 121.20 125.22 3kcr s ILE 266 Ca 0.00 1.21 -0.15 0.00 -2.23 0.00 0.00 60.65 59.48 3kcr s ILE 266 Cb 0.13 -3.92 -0.12 0.00 -1.58 0.00 0.00 42.46 36.97 3kcr s ILE 266 CO 0.82 0.38 -0.33 0.52 -1.23 0.00 0.00 174.94 175.11 3kcr n VAL 267 N 3.00 1.53 -3.66 2.92 0.31 0.59 -4.79 118.33 118.22 3kcr n VAL 267 Ca -0.06 -0.34 -0.26 0.00 -0.01 0.00 0.00 64.34 63.67 3kcr n VAL 267 Cb 0.51 -1.92 -0.17 0.00 -0.91 0.00 0.00 33.84 31.36 3kcr n VAL 267 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kcr s ARG 268 N -2.52 0.27 0.61 5.55 0.52 -0.28 -4.96 118.95 118.14 3kcr s ARG 268 Ca -0.38 -0.16 -0.16 0.00 -0.52 0.00 0.00 55.73 54.51 3kcr s ARG 268 Cb 0.14 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.76 3kcr s ARG 268 CO 0.49 -0.63 1.08 0.50 0.02 0.00 0.00 175.30 176.76 3kcr s ARG 269 N 2.04 3.17 0.96 3.54 3.52 -1.26 0.14 118.95 131.06 3kcr s ARG 269 Ca 0.01 1.30 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 3kcr s ARG 269 Cb -0.16 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 3kcr s ARG 269 CO -0.08 -0.95 0.00 0.54 -0.81 0.00 0.00 175.30 174.00 3kcr n ARG 270 N -2.06 -1.54 0.00 5.12 5.12 -1.26 -4.88 116.66 117.15 3kcr n ARG 270 Ca 0.09 1.02 0.07 0.00 -1.93 0.00 0.00 57.85 57.11 3kcr n ARG 270 Cb 0.52 -1.88 0.44 0.00 -1.16 0.00 0.00 32.46 30.38 3kcr n ARG 270 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13