#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcr n LEU 3 N 0.00 0.00 0.00 0.55 4.77 -1.26 -4.97 117.00 116.09 3kcr n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kcr n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kcr n LEU 3 CO 0.00 -0.42 0.00 0.59 -1.33 0.00 0.00 177.39 176.23 3kcr n ASN 4 N -2.41 -1.31 0.00 -1.43 3.02 -1.26 -4.92 115.26 106.95 3kcr n ASN 4 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kcr n ASN 4 Cb 0.00 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3kcr n ASN 4 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kcr n THR 5 N -2.44 0.65 -3.50 3.41 -2.24 -1.26 -5.02 114.28 103.88 3kcr n THR 5 Ca 0.00 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 61.00 3kcr n THR 5 Cb 0.00 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 3kcr n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3kcr s LEU 6 N -0.65 -0.50 0.15 3.22 0.05 -1.26 -5.18 118.68 114.51 3kcr s LEU 6 Ca 0.00 -0.09 -0.21 0.00 0.05 0.00 0.00 54.13 53.87 3kcr s LEU 6 Cb 0.00 2.56 0.06 0.00 -2.05 0.00 0.00 46.19 46.76 3kcr s LEU 6 CO 0.00 -0.99 0.55 -0.44 -0.55 0.00 0.00 176.35 174.92 3kcr s SER 7 N -2.75 -0.49 0.76 1.48 0.01 -1.26 -5.18 113.70 106.26 3kcr s SER 7 Ca 0.03 -0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 3kcr s SER 7 Cb -0.02 0.57 0.13 0.00 0.21 0.00 0.00 66.02 66.91 3kcr s SER 7 CO -0.10 -0.94 1.05 -2.16 0.41 0.00 0.00 173.24 171.50 3kcr s PRO 8 N -3.74 1.58 0.75 12.44 0.04 -1.26 -5.07 135.00 139.73 3kcr s PRO 8 Ca 0.01 -0.87 -0.08 0.00 0.04 0.00 0.00 61.00 60.11 3kcr s PRO 8 Cb -0.00 -2.23 0.08 0.00 0.04 0.00 0.00 34.50 32.39 3kcr s PRO 8 CO -0.13 -1.57 1.08 0.00 0.04 0.00 0.00 177.00 176.42 3kcr s ALA 9 N -3.28 3.01 0.19 8.56 0.00 -1.26 -4.90 121.76 124.08 3kcr s ALA 9 Ca 0.67 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 3kcr s ALA 9 Cb -0.06 -2.64 0.14 0.00 0.00 0.00 0.00 23.12 20.56 3kcr s ALA 9 CO 0.46 -1.51 1.82 1.49 0.00 0.00 0.00 175.76 178.02 3kcr h GLU 10 N -0.79 0.66 0.00 0.00 4.81 -1.98 -1.86 114.58 115.42 3kcr h GLU 10 Ca -0.44 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3kcr h GLU 10 Cb 1.31 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3kcr h GLU 10 CO 0.57 0.44 -0.98 0.41 -0.73 0.00 0.00 179.01 178.72 3kcr n GLY 11 N -1.26 0.00 0.65 1.92 0.00 -1.26 -4.26 105.19 100.98 3kcr n GLY 11 Ca 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.04 3kcr n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kcr n SER 12 N -1.52 1.81 -3.78 1.61 7.64 -1.25 -4.12 113.62 114.01 3kcr n SER 12 Ca -0.00 -2.11 -0.13 0.00 1.01 0.00 0.00 58.87 57.64 3kcr n SER 12 Cb 0.07 -0.30 -0.14 0.00 -1.01 0.00 0.00 64.21 62.83 3kcr n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3kcr s LYS 13 N -1.64 0.07 0.14 1.43 -0.14 -0.70 -4.48 119.74 114.42 3kcr s LYS 13 Ca 0.18 0.26 -0.15 0.00 -1.36 0.00 0.00 55.97 54.91 3kcr s LYS 13 Cb 0.11 -0.12 0.02 0.00 -1.68 0.00 0.00 37.83 36.16 3kcr s LYS 13 CO 0.10 -0.12 0.39 0.15 -0.76 0.00 0.00 175.35 175.11 3kcr s LYS 14 N 0.82 1.13 0.19 1.68 1.02 -1.26 -4.53 119.74 118.80 3kcr s LYS 14 Ca -0.06 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 54.78 3kcr s LYS 14 Cb -0.09 0.45 -0.08 0.00 -0.52 0.00 0.00 37.83 37.59 3kcr s LYS 14 CO -0.04 -0.44 1.26 0.00 -0.92 0.00 0.00 175.35 175.21 3kcr s ALA 15 N -3.85 3.48 0.11 5.17 0.00 -1.26 -5.07 121.76 120.34 3kcr s ALA 15 Ca 0.07 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3kcr s ALA 15 Cb 0.02 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3kcr s ALA 15 CO -0.08 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3kcr n GLY 16 N 2.26 1.50 3.52 0.00 0.00 -1.26 -5.16 105.19 106.05 3kcr n GLY 16 Ca 0.05 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 3kcr n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kcr s LYS 17 N 2.84 1.04 -0.12 1.61 -2.85 -1.26 -5.17 119.74 115.83 3kcr s LYS 17 Ca 0.00 0.19 -0.10 0.00 -1.00 0.00 0.00 55.97 55.06 3kcr s LYS 17 Cb 0.00 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.29 3kcr s LYS 17 CO 0.00 -0.34 0.30 0.50 0.10 0.00 0.00 175.35 175.92 3kcr s ARG 18 N -1.41 0.34 0.37 1.78 3.52 -1.26 -5.17 118.95 117.13 3kcr s ARG 18 Ca -0.09 0.45 0.05 0.00 -0.13 0.00 0.00 55.73 56.01 3kcr s ARG 18 Cb -0.00 0.13 -0.07 0.00 -1.56 0.00 0.00 34.95 33.45 3kcr s ARG 18 CO 0.07 -0.06 0.04 -0.51 -0.81 0.00 0.00 175.30 174.03 3kcr s LEU 19 N 0.35 2.50 0.00 -0.88 2.01 -1.26 -4.74 118.68 116.66 3kcr s LEU 19 Ca -0.02 -1.39 0.00 0.00 0.01 0.00 0.00 54.13 52.73 3kcr s LEU 19 Cb -0.03 -0.62 0.00 0.00 0.01 0.00 0.00 46.19 45.54 3kcr s LEU 19 CO -0.01 -0.55 0.00 0.61 1.01 0.00 0.00 176.35 177.41 3kcr n GLY 20 N -0.84 1.67 3.54 -3.19 0.00 -1.26 -4.97 105.19 100.14 3kcr n GLY 20 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3kcr n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcr s ARG 21 N -0.83 1.41 -0.04 1.61 3.00 -1.26 -4.94 118.95 117.90 3kcr s ARG 21 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 55.73 55.06 3kcr s ARG 21 Cb 0.00 0.58 0.00 0.00 0.00 0.00 0.00 34.95 35.53 3kcr s ARG 21 CO 0.00 -0.62 0.00 0.41 0.00 0.00 0.00 175.30 175.09 3kcr n GLY 22 N -0.39 0.46 0.24 -3.53 0.00 -1.26 -4.86 105.19 95.86 3kcr n GLY 22 Ca -0.13 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 45.90 3kcr n GLY 22 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3kcr h ILE 23 N 0.00 0.00 -0.14 -0.61 -2.65 -1.92 -3.16 117.51 109.03 3kcr h ILE 23 Ca -0.01 -0.60 0.00 0.00 1.03 0.00 0.00 64.86 65.28 3kcr h ILE 23 Cb 0.12 1.57 0.00 0.00 -2.05 0.00 0.00 36.82 36.46 3kcr h ILE 23 CO 0.01 0.00 0.00 0.61 0.03 0.00 0.00 178.15 178.80 3kcr n GLY 24 N 0.35 -0.27 0.32 0.16 0.00 -1.26 -2.19 105.19 102.29 3kcr n GLY 24 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 3kcr n GLY 24 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kcr h SER 25 N 1.00 0.76 0.00 1.61 0.02 -1.95 -3.47 113.55 111.51 3kcr h SER 25 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3kcr h SER 25 Cb 0.23 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3kcr h SER 25 CO 0.00 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 176.95 3kcr n GLY 26 N -1.15 0.06 0.43 -3.77 0.00 -1.07 -4.96 105.19 94.74 3kcr n GLY 26 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 3kcr n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kcr n LEU 27 N 0.00 2.29 -0.24 0.99 4.77 -1.26 -5.09 117.00 118.47 3kcr n LEU 27 Ca 0.00 -1.57 0.03 0.00 -0.03 0.00 0.00 56.01 54.44 3kcr n LEU 27 Cb 0.00 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3kcr n LEU 27 CO 0.00 0.53 -0.05 0.61 -1.33 0.00 0.00 177.39 177.15 3kcr n GLY 28 N 0.37 -1.54 3.89 -0.72 0.00 -0.93 -4.44 105.19 101.82 3kcr n GLY 28 Ca 0.07 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 3kcr n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kcr s LYS 29 N -1.45 2.86 -1.34 1.61 -2.85 -1.26 -4.18 119.74 113.13 3kcr s LYS 29 Ca 0.00 0.43 -0.03 0.00 -1.00 0.00 0.00 55.97 55.38 3kcr s LYS 29 Cb 0.00 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 3kcr s LYS 29 CO 0.00 -1.02 0.34 2.41 0.10 0.00 0.00 175.35 177.18 3kcr n THR 30 N -2.98 -1.39 -3.94 3.79 -1.04 -1.26 -4.89 114.28 102.56 3kcr n THR 30 Ca 0.07 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.73 3kcr n THR 30 Cb 0.57 -2.89 -0.14 0.00 -1.82 0.00 0.00 70.33 66.05 3kcr n THR 30 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3kcr s GLY 31 N -2.59 1.62 0.00 3.41 0.00 -1.26 -4.11 107.32 104.40 3kcr s GLY 31 Ca 0.17 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3kcr s GLY 31 CO 0.21 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.32 3kcr n GLY 32 N 4.72 1.23 0.03 0.20 0.00 -1.26 -4.78 105.19 105.32 3kcr n GLY 32 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3kcr n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kcr n ARG 33 N -2.00 0.10 0.00 1.61 1.85 -1.26 -5.05 116.66 111.91 3kcr n ARG 33 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 3kcr n ARG 33 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 3kcr n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kcr n GLY 34 N 1.49 2.13 3.52 2.89 0.00 -1.26 -4.96 105.19 108.98 3kcr n GLY 34 Ca 0.06 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 3kcr n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kcr s HIS 35 N 0.00 -0.38 0.00 1.61 0.09 -1.26 -4.70 115.29 110.65 3kcr s HIS 35 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 55.06 55.25 3kcr s HIS 35 Cb 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 32.58 33.14 3kcr s HIS 35 CO 0.00 -0.69 0.00 1.63 -0.00 0.00 0.00 174.74 175.68 3kcr n LYS 36 N -0.32 0.00 -0.07 1.40 5.02 -1.26 -4.77 118.16 118.16 3kcr n LYS 36 Ca -0.11 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.19 3kcr n LYS 36 Cb 0.63 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.63 3kcr n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcr n GLY 37 N 0.00 -1.07 0.35 0.72 0.00 -1.26 -2.06 105.19 101.87 3kcr n GLY 37 Ca 0.00 -1.03 0.17 0.00 0.00 0.00 0.00 46.02 45.16 3kcr n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kcr h GLN 38 N 0.00 0.00 -0.79 1.61 4.15 -1.98 -2.39 115.11 115.71 3kcr h GLN 38 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 58.65 59.65 3kcr h GLN 38 Cb 0.07 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3kcr h GLN 38 CO 0.00 0.00 0.57 0.87 -1.93 0.00 0.00 178.83 178.34 3kcr h LYS 39 N 0.00 0.01 -5.11 1.69 1.57 -1.88 -2.76 116.57 110.09 3kcr h LYS 39 Ca 0.15 -0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.53 3kcr h LYS 39 Cb 0.68 -0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.84 3kcr h LYS 39 CO -0.00 0.01 -0.65 -1.12 -0.57 0.00 0.00 179.45 177.12 3kcr s SER 40 N -5.81 1.90 0.00 0.86 0.01 -0.87 -2.59 113.70 107.21 3kcr s SER 40 Ca -0.05 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 55.95 3kcr s SER 40 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.44 3kcr s SER 40 CO 0.76 -0.54 0.00 0.54 0.41 0.00 0.00 173.24 174.41 3kcr n ARG 41 N -0.48 0.00 -3.36 12.44 1.74 -1.26 -4.40 116.66 121.35 3kcr n ARG 41 Ca -0.04 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.68 3kcr n ARG 41 Cb 0.65 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.03 3kcr n ARG 41 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3kcr s SER 42 N -4.00 6.84 0.00 0.55 0.01 -1.26 -2.19 113.70 113.65 3kcr s SER 42 Ca 0.00 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.34 3kcr s SER 42 Cb 0.00 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.94 3kcr s SER 42 CO 0.00 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.38 3kcr n GLY 43 N 0.88 0.87 2.92 3.44 0.00 -1.26 -1.39 105.19 110.64 3kcr n GLY 43 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kcr n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 44 N -2.16 0.78 0.00 -0.02 0.00 -0.93 -4.73 105.19 98.13 3kcr n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kcr n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 45 N -2.10 1.90 3.09 -0.02 0.00 -0.49 -4.15 105.19 103.42 3kcr n GLY 45 Ca 0.00 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 3kcr n GLY 45 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kcr n VAL 46 N -1.12 0.00 -3.89 1.61 0.24 -1.04 -4.76 118.33 109.37 3kcr n VAL 46 Ca 0.00 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 3kcr n VAL 46 Cb 0.00 -0.13 -0.01 0.00 -1.47 0.00 0.00 33.84 32.22 3kcr n VAL 46 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kcr s ARG 47 N -2.35 1.89 0.68 7.34 0.52 -1.26 -5.00 118.95 120.77 3kcr s ARG 47 Ca 0.43 -1.24 -0.17 0.00 -0.52 0.00 0.00 55.73 54.23 3kcr s ARG 47 Cb -0.15 0.58 0.01 0.00 0.52 0.00 0.00 34.95 35.90 3kcr s ARG 47 CO 0.78 -0.86 1.26 1.03 0.02 0.00 0.00 175.30 177.53 3kcr s ARG 48 N -3.37 2.40 0.00 3.54 0.52 -1.26 -4.57 118.95 116.21 3kcr s ARG 48 Ca 0.16 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.31 3kcr s ARG 48 Cb -0.04 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.58 3kcr s ARG 48 CO 0.10 -1.68 0.00 0.41 0.02 0.00 0.00 175.30 174.15 3kcr n GLY 49 N 0.71 0.07 3.58 -3.53 0.00 -1.26 -5.09 105.19 99.67 3kcr n GLY 49 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3kcr n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kcr s PHE 50 N -0.69 -0.33 -0.01 1.61 -0.12 -1.26 -5.08 117.98 112.10 3kcr s PHE 50 Ca 0.00 0.10 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 3kcr s PHE 50 Cb 0.00 0.59 0.03 0.00 -0.63 0.00 0.00 43.02 43.01 3kcr s PHE 50 CO 0.00 -0.78 0.94 0.39 -0.05 0.00 0.00 175.22 175.71 3kcr n GLU 51 N -0.36 2.30 0.00 1.99 -0.58 -1.26 -5.01 120.64 117.73 3kcr n GLU 51 Ca -0.10 -1.44 0.00 0.00 -0.42 0.00 0.00 57.16 55.20 3kcr n GLU 51 Cb 0.62 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 3kcr n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kcr n GLY 52 N -0.50 1.19 0.94 0.62 0.00 -1.26 -2.93 105.19 103.24 3kcr n GLY 52 Ca 0.02 0.30 0.11 0.00 0.00 0.00 0.00 46.02 46.44 3kcr n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 53 N 0.00 1.15 3.74 -0.02 0.00 -1.26 -4.99 105.19 103.81 3kcr n GLY 53 Ca 0.00 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3kcr n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kcr s GLN 54 N -1.58 2.39 0.20 1.61 0.74 -1.15 -5.07 119.66 116.80 3kcr s GLN 54 Ca 0.29 1.68 -0.03 0.00 0.05 0.00 0.00 55.36 57.36 3kcr s GLN 54 Cb 0.19 -1.87 -0.05 0.00 1.10 0.00 0.00 33.01 32.38 3kcr s GLN 54 CO 0.27 -1.62 0.41 1.41 -0.55 0.00 0.00 175.29 175.21 3kcr s MET 55 N -3.88 3.57 0.37 1.67 -2.45 -1.26 -4.97 119.30 112.35 3kcr s MET 55 Ca 0.73 -0.21 -0.26 0.00 -1.25 0.00 0.00 55.69 54.71 3kcr s MET 55 Cb -0.27 -2.81 -0.12 0.00 1.25 0.00 0.00 34.83 32.88 3kcr s MET 55 CO 0.43 0.39 0.97 -2.30 1.05 0.00 0.00 175.02 175.56 3kcr n PRO 56 N -0.48 1.30 -0.02 4.11 -0.02 -1.26 -4.93 135.00 133.70 3kcr n PRO 56 Ca -0.03 0.46 0.02 0.00 -2.02 0.00 0.00 63.50 61.92 3kcr n PRO 56 Cb 0.53 -1.92 0.02 0.00 -0.02 0.00 0.00 33.50 32.11 3kcr n PRO 56 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kcr n LEU 57 N 0.86 1.61 -0.75 2.45 4.77 -1.26 -4.72 117.00 119.96 3kcr n LEU 57 Ca 0.09 -1.36 -0.03 0.00 -0.03 0.00 0.00 56.01 54.68 3kcr n LEU 57 Cb 0.36 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3kcr n LEU 57 CO 0.58 0.38 0.16 0.00 -1.33 0.00 0.00 177.39 177.19 3kcr n TYR 58 N 0.03 -0.02 -2.33 -1.77 0.18 -1.26 -4.93 117.16 107.06 3kcr n TYR 58 Ca 0.02 -0.24 -0.03 0.00 1.88 0.00 0.00 57.90 59.54 3kcr n TYR 58 Cb 0.16 0.37 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 3kcr n TYR 58 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 3kcr n ARG 59 N -0.01 0.44 -0.21 -3.48 3.00 -1.26 -4.78 116.66 110.37 3kcr n ARG 59 Ca -0.13 -1.52 0.00 0.00 -0.00 0.00 0.00 57.85 56.20 3kcr n ARG 59 Cb 0.46 0.16 0.00 0.00 0.00 0.00 0.00 32.46 33.08 3kcr n ARG 59 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3kcr n ARG 60 N -0.25 0.00 -4.64 -0.14 1.85 -1.26 -5.03 116.66 107.18 3kcr n ARG 60 Ca -0.15 -0.40 -0.30 0.00 -1.00 0.00 0.00 57.85 56.01 3kcr n ARG 60 Cb 0.85 -0.28 -0.14 0.00 -1.05 0.00 0.00 32.46 31.84 3kcr n ARG 60 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3kcr s LEU 61 N 0.00 2.26 0.98 2.89 2.01 -1.26 -5.13 118.68 120.43 3kcr s LEU 61 Ca 0.00 -0.66 -0.13 0.00 0.01 0.00 0.00 54.13 53.35 3kcr s LEU 61 Cb 0.00 -1.27 0.10 0.00 0.01 0.00 0.00 46.19 45.03 3kcr s LEU 61 CO 0.00 0.22 0.62 -2.65 1.01 0.00 0.00 176.35 175.55 3kcr n PRO 62 N 1.34 -0.69 -4.30 1.29 -0.02 -1.26 -5.06 135.00 126.30 3kcr n PRO 62 Ca -0.17 -0.16 -0.19 0.00 -2.02 0.00 0.00 63.50 60.96 3kcr n PRO 62 Cb 0.52 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 3kcr n PRO 62 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kcr s LYS 63 N -3.97 1.18 0.00 -0.52 1.02 -1.26 -5.09 119.74 111.11 3kcr s LYS 63 Ca 0.61 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 55.18 3kcr s LYS 63 Cb -0.21 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 3kcr s LYS 63 CO 0.64 0.19 0.00 1.97 -0.92 0.00 0.00 175.35 177.23 3kcr n PHE 64 N 0.10 0.00 -0.22 3.18 1.16 -1.26 -5.14 117.46 115.28 3kcr n PHE 64 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.46 3kcr n PHE 64 Cb 0.58 0.04 0.00 0.00 -1.61 0.00 0.00 39.48 38.49 3kcr n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3kcr n GLY 65 N 0.00 1.22 3.64 4.97 0.00 -1.26 -5.13 105.19 108.64 3kcr n GLY 65 Ca 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.38 3kcr n GLY 65 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kcr s PHE 66 N 1.17 -0.41 0.65 1.61 2.19 -1.26 -5.17 117.98 116.76 3kcr s PHE 66 Ca 0.00 0.96 -0.16 0.00 0.33 0.00 0.00 56.93 58.07 3kcr s PHE 66 Cb 0.00 0.38 -0.00 0.00 -1.31 0.00 0.00 43.02 42.08 3kcr s PHE 66 CO 0.00 -0.20 1.13 0.99 1.83 0.00 0.00 175.22 178.98 3kcr s THR 67 N 0.35 3.05 0.00 0.12 2.01 -1.26 -5.02 115.64 114.88 3kcr s THR 67 Ca 0.02 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.54 3kcr s THR 67 Cb -0.05 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3kcr s THR 67 CO -0.09 -0.27 0.38 -1.20 -0.69 0.00 0.00 174.62 172.75 3kcr n SER 68 N -2.28 0.00 0.00 3.53 7.64 -1.26 -4.85 113.62 116.39 3kcr n SER 68 Ca 0.11 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.37 3kcr n SER 68 Cb 0.51 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3kcr n SER 68 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3kcr n ARG 69 N -0.91 0.00 0.11 1.43 0.00 -1.26 -2.43 116.66 113.59 3kcr n ARG 69 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 3kcr n ARG 69 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 32.46 32.74 3kcr n ARG 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3kcr h LYS 70 N 0.00 0.00 0.00 -0.14 1.57 -2.03 -3.08 116.57 112.89 3kcr h LYS 70 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3kcr h LYS 70 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3kcr h LYS 70 CO 0.00 0.00 -0.39 0.00 -0.57 0.00 0.00 179.45 178.49 3kcr h ALA 71 N 2.41 0.85 -0.00 3.86 0.00 -1.83 -3.25 119.26 121.30 3kcr h ALA 71 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kcr h ALA 71 Cb 0.79 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kcr h ALA 71 CO 0.00 0.49 0.04 0.00 0.00 0.00 0.00 179.25 179.79 3kcr h ALA 72 N 1.61 1.08 0.00 0.00 0.00 -1.79 -1.99 119.26 118.17 3kcr h ALA 72 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kcr h ALA 72 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kcr h ALA 72 CO 0.05 -0.05 -0.55 -0.89 0.00 0.00 0.00 179.25 177.82 3kcr n ILE 73 N -3.11 0.00 -2.97 0.00 2.08 -1.22 -4.94 119.36 109.19 3kcr n ILE 73 Ca -0.03 -0.27 -0.43 0.00 0.56 0.00 0.00 62.75 62.58 3kcr n ILE 73 Cb 0.11 0.93 -0.05 0.00 -0.75 0.00 0.00 39.64 39.88 3kcr n ILE 73 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3kcr s THR 74 N -1.97 4.56 0.74 1.39 2.01 -0.75 -3.12 115.64 118.50 3kcr s THR 74 Ca 0.03 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 3kcr s THR 74 Cb 0.07 -4.52 0.14 0.00 0.01 0.00 0.00 72.50 68.20 3kcr s THR 74 CO 0.39 -1.16 1.02 0.00 -0.69 0.00 0.00 174.62 174.18 3kcr s ALA 75 N 3.44 3.67 -0.28 7.40 0.00 -1.10 -4.92 121.76 129.97 3kcr s ALA 75 Ca 0.20 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.35 3kcr s ALA 75 Cb -0.18 -2.00 0.09 0.00 0.00 0.00 0.00 23.12 21.04 3kcr s ALA 75 CO 0.12 -1.55 0.11 -1.21 0.00 0.00 0.00 175.76 173.22 3kcr s GLU 76 N -5.19 0.41 0.03 0.00 2.02 -1.26 -1.27 118.70 113.44 3kcr s GLU 76 Ca 0.67 -0.67 0.08 0.00 0.02 0.00 0.00 54.97 55.07 3kcr s GLU 76 Cb -0.05 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 3kcr s GLU 76 CO 0.45 -0.94 -0.23 0.96 0.02 0.00 0.00 175.26 175.52 3kcr s ILE 77 N 1.91 2.42 0.50 -1.63 -4.36 -0.17 -4.92 121.20 114.95 3kcr s ILE 77 Ca 0.08 -1.24 -0.17 0.00 -0.26 0.00 0.00 60.65 59.06 3kcr s ILE 77 Cb -0.17 -1.96 -0.08 0.00 1.25 0.00 0.00 42.46 41.51 3kcr s ILE 77 CO -0.28 0.40 0.97 -0.13 0.24 0.00 0.00 174.94 176.14 3kcr s ARG 78 N -1.20 3.96 0.31 0.37 0.52 -1.26 -3.60 118.95 118.06 3kcr s ARG 78 Ca 0.12 0.95 0.26 0.00 -0.52 0.00 0.00 55.73 56.54 3kcr s ARG 78 Cb -0.10 -2.15 0.84 0.00 0.52 0.00 0.00 34.95 34.06 3kcr s ARG 78 CO 0.03 -0.24 1.76 -0.07 0.02 0.00 0.00 175.30 176.79 3kcr h LEU 79 N 1.01 0.00 -0.73 2.53 3.38 -1.74 -3.13 115.31 116.63 3kcr h LEU 79 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kcr h LEU 79 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 3kcr h LEU 79 CO 0.62 0.00 0.44 0.28 0.09 0.00 0.00 178.44 179.87 3kcr h SER 80 N 0.00 0.87 0.00 -0.43 0.02 -1.26 -3.40 113.55 109.35 3kcr h SER 80 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3kcr h SER 80 Cb 0.66 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3kcr h SER 80 CO 0.00 0.67 0.00 0.47 -1.14 0.00 0.00 176.83 176.83 3kcr n ASP 81 N -4.53 0.00 0.00 3.07 8.00 -1.19 -4.78 116.55 117.13 3kcr n ASP 81 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3kcr n ASP 81 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3kcr n ASP 81 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3kcr n LEU 82 N 0.00 0.00 0.30 0.64 7.94 -1.23 -2.71 117.00 121.94 3kcr n LEU 82 Ca 0.00 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.09 3kcr n LEU 82 Cb 0.00 0.00 1.01 0.00 0.53 0.00 0.00 43.42 44.96 3kcr n LEU 82 CO 0.00 0.00 1.16 0.00 -1.11 0.00 0.00 177.39 177.44 3kcr h ALA 83 N -0.46 1.33 0.00 1.96 0.00 -1.85 -1.50 119.26 118.73 3kcr h ALA 83 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kcr h ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kcr h ALA 83 CO 0.00 -0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.74 3kcr n LYS 84 N -3.30 0.04 0.00 0.00 4.76 -1.10 -1.22 118.16 117.33 3kcr n LYS 84 Ca -0.02 0.42 0.03 0.00 -2.87 0.00 0.00 58.31 55.86 3kcr n LYS 84 Cb 0.20 -1.59 0.16 0.00 -1.84 0.00 0.00 35.03 31.96 3kcr n LYS 84 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3kcr n VAL 85 N -1.66 0.00 0.00 -0.18 3.14 -0.57 -4.98 118.33 114.08 3kcr n VAL 85 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 3kcr n VAL 85 Cb 0.09 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 3kcr n VAL 85 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3kcr n GLU 86 N -0.60 0.00 -0.11 1.45 -0.58 -0.36 -4.47 120.64 115.98 3kcr n GLU 86 Ca 0.04 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.79 3kcr n GLU 86 Cb 0.02 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.88 3kcr n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kcr n GLY 87 N 0.00 -1.43 0.13 0.62 0.00 -1.26 -4.30 105.19 98.95 3kcr n GLY 87 Ca 0.00 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.65 3kcr n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 88 N -1.48 -0.92 3.22 -0.02 0.00 -1.26 -4.58 105.19 100.14 3kcr n GLY 88 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 3kcr n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr s VAL 89 N -2.59 0.73 -0.69 1.61 0.11 -1.26 -2.16 120.40 116.15 3kcr s VAL 89 Ca 0.24 -1.97 -0.24 0.00 -2.93 0.00 0.00 61.98 57.07 3kcr s VAL 89 Cb 0.19 -1.94 0.05 0.00 -1.53 0.00 0.00 36.38 33.16 3kcr s VAL 89 CO 0.52 -0.64 1.08 -0.69 -3.33 0.00 0.00 175.10 172.04 3kcr s VAL 90 N -3.62 4.10 0.10 2.04 1.01 -1.06 -4.60 120.40 118.38 3kcr s VAL 90 Ca 0.19 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 3kcr s VAL 90 Cb 0.05 -4.77 -0.08 0.00 0.00 0.00 0.00 36.38 31.58 3kcr s VAL 90 CO 0.01 -1.60 1.53 -0.62 0.00 0.00 0.00 175.10 174.42 3kcr s ASP 91 N 3.68 6.68 -0.79 3.32 3.68 -1.26 -4.60 116.67 127.38 3kcr s ASP 91 Ca 0.27 2.43 -0.02 0.00 2.13 0.00 0.00 52.55 57.36 3kcr s ASP 91 Cb -0.13 -2.58 0.33 0.00 -1.45 0.00 0.00 42.92 39.09 3kcr s ASP 91 CO 0.12 -0.79 2.10 0.18 0.13 0.00 0.00 175.17 176.91 3kcr n LEU 92 N 4.73 7.45 -3.49 -1.34 4.77 -1.26 -4.62 117.00 123.24 3kcr n LEU 92 Ca 0.14 -4.69 -0.13 0.00 -0.03 0.00 0.00 56.01 51.30 3kcr n LEU 92 Cb 0.41 -1.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 3kcr n LEU 92 CO 0.61 1.72 0.35 0.20 -1.33 0.00 0.00 177.39 178.93 3kcr s ASN 93 N -1.01 -0.51 -1.16 -1.43 0.01 -1.26 -4.36 114.94 105.22 3kcr s ASN 93 Ca 0.54 0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.73 3kcr s ASN 93 Cb 0.44 0.55 0.02 0.00 0.41 0.00 0.00 41.25 42.67 3kcr s ASN 93 CO -0.35 -0.86 0.17 0.35 -1.51 0.00 0.00 177.10 174.89 3kcr n THR 94 N -0.06 -0.81 0.13 1.60 -2.24 -1.26 -4.27 114.28 107.37 3kcr n THR 94 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3kcr n THR 94 Cb 0.63 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 3kcr n THR 94 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kcr n LEU 95 N -3.14 -2.12 0.29 3.22 4.77 -1.26 -4.37 117.00 114.39 3kcr n LEU 95 Ca -0.11 0.50 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 3kcr n LEU 95 Cb 0.60 2.16 -0.09 0.00 -2.33 0.00 0.00 43.42 43.75 3kcr n LEU 95 CO 0.28 -0.13 0.57 0.11 -1.33 0.00 0.00 177.39 176.89 3kcr h LYS 96 N 0.00 -0.90 0.00 3.23 1.57 -1.76 0.36 116.57 119.07 3kcr h LYS 96 Ca 0.00 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3kcr h LYS 96 Cb 0.00 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3kcr h LYS 96 CO 0.00 -0.60 -0.17 0.00 -0.57 0.00 0.00 179.45 178.11 3kcr h ALA 97 N -0.67 1.21 -0.44 3.86 0.00 -1.81 -0.15 119.26 121.26 3kcr h ALA 97 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kcr h ALA 97 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kcr h ALA 97 CO -0.04 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3kcr n ALA 98 N -2.28 3.07 -3.37 0.00 0.00 -1.15 -4.70 120.51 112.09 3kcr n ALA 98 Ca -0.01 -1.16 -0.16 0.00 0.00 0.00 0.00 53.44 52.11 3kcr n ALA 98 Cb 0.30 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 18.80 3kcr n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kcr n ASN 99 N 0.64 -2.85 0.00 0.00 5.03 0.14 -4.72 115.26 113.49 3kcr n ASN 99 Ca 0.18 -0.62 0.00 0.00 0.87 0.00 0.00 54.58 55.01 3kcr n ASN 99 Cb 0.73 -5.06 0.00 0.00 -1.02 0.00 0.00 39.78 34.43 3kcr n ASN 99 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kcr n ILE 100 N -3.92 0.00 -0.06 2.41 0.13 0.10 -4.56 119.36 113.47 3kcr n ILE 100 Ca -0.25 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.37 3kcr n ILE 100 Cb 0.66 -0.06 -0.15 0.00 -0.84 0.00 0.00 39.64 39.25 3kcr n ILE 100 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 3kcr n ILE 101 N -0.50 1.07 0.00 9.51 5.41 -0.92 -4.90 119.36 129.03 3kcr n ILE 101 Ca 0.00 -0.75 0.00 0.00 1.00 0.00 0.00 62.75 63.00 3kcr n ILE 101 Cb 0.04 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 3kcr n ILE 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kcr n GLY 102 N 1.58 0.85 0.30 7.39 0.00 -1.23 -3.94 105.19 110.15 3kcr n GLY 102 Ca -0.22 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 3kcr n GLY 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3kcr h ILE 103 N 0.00 1.27 0.00 -0.61 3.07 -1.66 -3.28 117.51 116.30 3kcr h ILE 103 Ca 0.00 -1.16 -0.27 0.00 1.55 0.00 0.00 64.86 64.98 3kcr h ILE 103 Cb 0.00 0.81 -0.05 0.00 -0.27 0.00 0.00 36.82 37.31 3kcr h ILE 103 CO 0.00 0.42 -1.91 0.00 -1.05 0.00 0.00 178.15 175.62 3kcr n GLN 104 N -4.18 0.65 -3.41 0.16 1.13 -1.26 -4.85 117.38 105.62 3kcr n GLN 104 Ca 0.03 0.13 -0.38 0.00 -1.94 0.00 0.00 57.00 54.84 3kcr n GLN 104 Cb 0.35 -1.68 -0.06 0.00 0.11 0.00 0.00 30.24 28.96 3kcr n GLN 104 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3kcr s ILE 105 N -2.71 4.91 -0.47 5.09 1.01 -1.24 -4.95 121.20 122.84 3kcr s ILE 105 Ca -0.06 0.99 0.05 0.00 0.00 0.00 0.00 60.65 61.63 3kcr s ILE 105 Cb 0.08 -3.79 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 3kcr s ILE 105 CO 0.83 0.56 0.45 -0.62 0.00 0.00 0.00 174.94 176.16 3kcr n GLU 106 N 1.75 2.47 -4.26 2.79 -0.58 -1.25 -3.83 120.64 117.72 3kcr n GLU 106 Ca -0.12 -0.43 -0.14 0.00 -0.42 0.00 0.00 57.16 56.04 3kcr n GLU 106 Cb 0.52 -0.93 -0.10 0.00 -0.57 0.00 0.00 31.44 30.36 3kcr n GLU 106 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kcr s PHE 107 N -0.94 1.29 -0.07 -0.32 0.08 -1.18 -4.62 117.98 112.22 3kcr s PHE 107 Ca 0.04 -0.93 -0.30 0.00 0.12 0.00 0.00 56.93 55.86 3kcr s PHE 107 Cb 0.04 -0.73 0.11 0.00 -0.57 0.00 0.00 43.02 41.87 3kcr s PHE 107 CO 0.13 -0.10 0.92 0.00 -0.10 0.00 0.00 175.22 176.07 3kcr s ALA 108 N -3.52 -1.87 0.01 5.36 0.00 -1.26 -2.73 121.76 117.75 3kcr s ALA 108 Ca 0.23 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.48 3kcr s ALA 108 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3kcr s ALA 108 CO 0.04 -0.50 0.05 0.15 0.00 0.00 0.00 175.76 175.50 3kcr s LYS 109 N -2.10 2.92 0.00 0.00 -0.14 -0.39 -0.70 119.74 119.32 3kcr s LYS 109 Ca 0.01 -0.57 0.26 0.00 -1.36 0.00 0.00 55.97 54.31 3kcr s LYS 109 Cb -0.01 -2.76 0.65 0.00 -1.68 0.00 0.00 37.83 34.03 3kcr s LYS 109 CO -0.03 0.63 1.50 1.33 -0.76 0.00 0.00 175.35 178.02 3kcr n VAL 110 N 1.17 0.00 -0.76 3.17 0.24 -1.26 -1.00 118.33 119.89 3kcr n VAL 110 Ca -0.13 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3kcr n VAL 110 Cb 0.53 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 3kcr n VAL 110 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3kcr n ILE 111 N -0.70 0.00 -3.74 1.34 -5.35 -1.24 -3.81 119.36 105.86 3kcr n ILE 111 Ca 0.11 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.47 3kcr n ILE 111 Cb 0.36 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.14 3kcr n ILE 111 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3kcr s LEU 112 N 0.00 0.54 0.00 7.28 2.96 -1.26 -4.75 118.68 123.46 3kcr s LEU 112 Ca 0.00 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 3kcr s LEU 112 Cb 0.00 1.05 0.00 0.00 0.50 0.00 0.00 46.19 47.74 3kcr s LEU 112 CO 0.00 -0.14 0.00 0.00 -1.32 0.00 0.00 176.35 174.89 3kcr n ALA 113 N 3.47 0.02 -1.27 5.97 0.00 -1.26 -4.81 120.51 122.62 3kcr n ALA 113 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.43 3kcr n ALA 113 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 3kcr n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 114 N 0.00 -2.07 0.96 0.00 0.00 -1.26 -4.24 105.19 98.57 3kcr n GLY 114 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3kcr n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kcr n GLU 115 N -3.93 0.00 -3.58 1.61 4.71 -1.26 -1.03 120.64 117.15 3kcr n GLU 115 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.78 3kcr n GLU 115 Cb 0.58 -1.45 -0.07 0.00 -1.01 0.00 0.00 31.44 29.49 3kcr n GLU 115 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3kcr s VAL 116 N -2.64 5.32 0.00 2.62 0.11 -1.26 -4.55 120.40 120.00 3kcr s VAL 116 Ca 0.00 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 3kcr s VAL 116 Cb 0.00 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 3kcr s VAL 116 CO 0.00 0.41 0.00 0.41 -3.33 0.00 0.00 175.10 172.59 3kcr n THR 117 N 3.45 0.00 -4.34 5.04 -1.04 -1.21 -4.76 114.28 111.42 3kcr n THR 117 Ca -0.13 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.55 3kcr n THR 117 Cb 0.52 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.87 3kcr n THR 117 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3kcr s THR 118 N -0.43 2.45 -0.62 12.58 2.01 -0.72 -4.18 115.64 126.72 3kcr s THR 118 Ca 0.00 -0.83 -0.36 0.00 0.31 0.00 0.00 61.69 60.81 3kcr s THR 118 Cb 0.00 -2.03 -0.17 0.00 0.01 0.00 0.00 72.50 70.31 3kcr s THR 118 CO 0.00 0.52 2.36 -2.65 -0.69 0.00 0.00 174.62 174.15 3kcr n PRO 119 N 4.35 0.36 -4.10 4.92 -0.02 -1.22 -3.20 135.00 136.08 3kcr n PRO 119 Ca -0.20 0.07 -0.09 0.00 -2.02 0.00 0.00 63.50 61.27 3kcr n PRO 119 Cb 0.51 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 3kcr n PRO 119 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kcr s VAL 120 N 7.86 0.15 -0.22 -1.45 -7.23 -1.26 -4.50 120.40 113.75 3kcr s VAL 120 Ca 1.21 -1.80 -0.00 0.00 -1.81 0.00 0.00 61.98 59.58 3kcr s VAL 120 Cb -1.14 -1.80 0.06 0.00 0.56 0.00 0.00 36.38 34.05 3kcr s VAL 120 CO 0.53 -0.66 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.73 3kcr s THR 121 N -3.99 1.26 0.21 5.32 2.01 -0.92 -1.01 115.64 118.52 3kcr s THR 121 Ca 0.16 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 3kcr s THR 121 Cb 0.07 -1.57 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 3kcr s THR 121 CO -0.03 -0.10 1.29 0.68 -0.69 0.00 0.00 174.62 175.77 3kcr s VAL 122 N 1.53 3.21 -0.04 3.82 -7.23 -1.24 -2.56 120.40 117.88 3kcr s VAL 122 Ca -0.04 1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 61.02 3kcr s VAL 122 Cb -0.18 -3.65 0.02 0.00 0.56 0.00 0.00 36.38 33.13 3kcr s VAL 122 CO -0.07 0.16 0.28 0.00 -0.31 0.00 0.00 175.10 175.17 3kcr s ARG 123 N -0.31 0.54 0.00 4.82 1.70 -1.26 -4.62 118.95 119.83 3kcr s ARG 123 Ca 0.55 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.78 3kcr s ARG 123 Cb -0.36 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.26 3kcr s ARG 123 CO 0.39 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 174.89 3kcr n GLY 124 N 1.81 0.66 3.25 3.88 0.00 -1.26 -4.82 105.19 108.71 3kcr n GLY 124 Ca -0.19 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 3kcr n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kcr s LEU 125 N 0.00 1.09 0.00 0.99 1.43 -1.26 -4.31 118.68 116.62 3kcr s LEU 125 Ca 0.00 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 3kcr s LEU 125 Cb 0.00 0.56 0.00 0.00 0.03 0.00 0.00 46.19 46.78 3kcr s LEU 125 CO 0.00 -0.87 0.00 0.54 0.23 0.00 0.00 176.35 176.25 3kcr n ARG 126 N -0.27 2.69 -3.46 1.70 1.74 0.12 -4.95 116.66 114.24 3kcr n ARG 126 Ca 0.01 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 3kcr n ARG 126 Cb 0.65 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.07 3kcr n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kcr s VAL 127 N 1.66 0.00 0.20 1.55 0.11 -1.26 -4.47 120.40 118.19 3kcr s VAL 127 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 3kcr s VAL 127 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 3kcr s VAL 127 CO 0.00 0.00 -0.01 0.42 -3.33 0.00 0.00 175.10 172.18 3kcr s THR 128 N -3.23 0.94 -0.68 5.04 -4.23 -1.26 -4.60 115.64 107.62 3kcr s THR 128 Ca 0.01 -2.02 0.25 0.00 -1.18 0.00 0.00 61.69 58.74 3kcr s THR 128 Cb -0.01 -2.21 0.26 0.00 1.34 0.00 0.00 72.50 71.88 3kcr s THR 128 CO -0.09 -0.42 1.75 2.29 -0.54 0.00 0.00 174.62 177.60 3kcr n LYS 129 N -0.34 0.20 0.00 3.99 2.85 -1.26 -2.60 118.16 121.00 3kcr n LYS 129 Ca -0.06 0.28 0.14 0.00 -1.05 0.00 0.00 58.31 57.61 3kcr n LYS 129 Cb 0.63 -1.78 0.80 0.00 -0.65 0.00 0.00 35.03 34.03 3kcr n LYS 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kcr n GLY 130 N 0.75 -0.95 3.15 2.58 0.00 -1.26 -4.36 105.19 105.10 3kcr n GLY 130 Ca 0.04 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.95 3kcr n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcr s ALA 131 N -2.13 -3.19 0.00 4.61 0.00 -1.07 -4.92 121.76 115.06 3kcr s ALA 131 Ca 0.38 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.69 3kcr s ALA 131 Cb 0.19 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.72 3kcr s ALA 131 CO 0.35 -1.78 0.26 2.89 0.00 0.00 0.00 175.76 177.48 3kcr n ARG 132 N 5.32 0.00 0.00 0.00 1.85 -1.26 -4.32 116.66 118.25 3kcr n ARG 132 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 3kcr n ARG 132 Cb 0.55 -0.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 3kcr n ARG 132 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kcr n ALA 133 N 0.00 0.00 -0.02 2.89 0.00 -1.26 -4.91 120.51 117.22 3kcr n ALA 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcr n ALA 133 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3kcr n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 134 N 0.00 1.79 0.02 0.00 0.00 -1.26 -4.54 120.51 116.53 3kcr n ALA 134 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 3kcr n ALA 134 Cb 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.51 3kcr n ALA 134 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3kcr h ILE 135 N 0.02 1.34 -0.60 0.00 2.10 -1.91 -2.53 117.51 115.92 3kcr h ILE 135 Ca 0.00 -2.17 -0.02 0.00 1.08 0.00 0.00 64.86 63.75 3kcr h ILE 135 Cb 0.01 2.47 -0.03 0.00 -1.09 0.00 0.00 36.82 38.18 3kcr h ILE 135 CO 0.00 0.66 0.31 -0.33 -1.08 0.00 0.00 178.15 177.71 3kcr h GLU 136 N 0.18 0.84 -1.45 2.19 3.07 -1.80 -2.28 114.58 115.34 3kcr h GLU 136 Ca -0.11 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3kcr h GLU 136 Cb 1.53 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 3kcr h GLU 136 CO 0.17 0.63 0.00 0.00 -1.40 0.00 0.00 179.01 178.41 3kcr n ALA 137 N -2.45 2.85 -1.37 3.43 0.00 -0.95 -1.13 120.51 120.89 3kcr n ALA 137 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3kcr n ALA 137 Cb 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3kcr n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcr n ALA 138 N 0.93 0.88 -0.40 0.00 0.00 -1.16 -5.02 120.51 115.73 3kcr n ALA 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcr n ALA 138 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3kcr n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcr n GLY 139 N 0.00 -0.95 0.00 0.00 0.00 -0.29 -3.35 105.19 100.60 3kcr n GLY 139 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3kcr n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcr n GLY 140 N 1.58 -0.38 3.23 -0.02 0.00 -0.87 -1.76 105.19 106.96 3kcr n GLY 140 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 3kcr n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcr s LYS 141 N -2.00 0.39 0.04 1.61 -0.14 -0.18 -3.55 119.74 115.90 3kcr s LYS 141 Ca 0.00 0.50 0.04 0.00 -1.36 0.00 0.00 55.97 55.15 3kcr s LYS 141 Cb 0.00 0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 36.28 3kcr s LYS 141 CO 0.00 -0.06 -0.05 -1.50 -0.76 0.00 0.00 175.35 172.98 3kcr s ILE 142 N 0.32 3.76 0.00 2.17 1.10 -1.26 -3.63 121.20 123.66 3kcr s ILE 142 Ca -0.01 -0.86 0.00 0.00 -0.51 0.00 0.00 60.65 59.26 3kcr s ILE 142 Cb -0.03 -2.69 0.00 0.00 0.15 0.00 0.00 42.46 39.89 3kcr s ILE 142 CO -0.01 0.29 0.00 -1.84 -2.11 0.00 0.00 174.94 171.27 3kcr n GLU 143 N 1.20 0.00 0.00 3.50 0.28 -1.26 -4.91 120.64 119.45 3kcr n GLU 143 Ca -0.14 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.00 3kcr n GLU 143 Cb 0.52 0.00 0.54 0.00 1.43 0.00 0.00 31.44 33.93 3kcr n GLU 143 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36