#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr3 s VAL 2 N 0.00 5.03 -0.12 6.31 1.01 -1.26 -4.19 120.40 127.18 3kr3 s VAL 2 Ca 0.00 0.87 -0.08 0.00 0.00 0.00 0.00 61.98 62.77 3kr3 s VAL 2 Cb 0.00 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.69 3kr3 s VAL 2 CO 0.00 0.55 0.30 -1.58 0.00 0.00 0.00 175.10 174.37 3kr3 s GLN 3 N -0.88 0.30 -0.21 2.72 0.74 -0.14 -5.00 119.66 117.20 3kr3 s GLN 3 Ca 0.24 0.52 -0.01 0.00 0.05 0.00 0.00 55.36 56.15 3kr3 s GLN 3 Cb -0.17 0.04 0.01 0.00 1.10 0.00 0.00 33.01 33.99 3kr3 s GLN 3 CO 0.13 -0.10 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.15 3kr3 s LEU 4 N 0.75 2.66 -0.27 3.68 1.43 -1.26 -0.82 118.68 124.85 3kr3 s LEU 4 Ca -0.05 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3kr3 s LEU 4 Cb -0.06 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.59 3kr3 s LEU 4 CO -0.05 -0.03 -0.07 -0.22 0.23 0.00 0.00 176.35 176.21 3kr3 s LEU 5 N 1.37 3.53 0.28 1.79 2.96 -0.46 -3.72 118.68 124.43 3kr3 s LEU 5 Ca 0.04 -1.27 -0.10 0.00 -0.22 0.00 0.00 54.13 52.58 3kr3 s LEU 5 Cb -0.14 -1.62 -0.07 0.00 0.50 0.00 0.00 46.19 44.86 3kr3 s LEU 5 CO -0.07 -0.20 0.62 -1.61 -1.32 0.00 0.00 176.35 173.76 3kr3 s GLU 6 N 1.18 3.81 0.21 1.98 2.02 -1.26 -0.26 118.70 126.38 3kr3 s GLU 6 Ca -0.06 0.33 -0.10 0.00 0.02 0.00 0.00 54.97 55.16 3kr3 s GLU 6 Cb -0.19 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 3kr3 s GLU 6 CO -0.04 0.21 0.36 -1.54 0.02 0.00 0.00 175.26 174.28 3kr3 s SER 7 N -2.60 -0.02 0.00 -0.19 1.04 -0.60 -4.97 113.70 106.36 3kr3 s SER 7 Ca 0.49 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.93 3kr3 s SER 7 Cb -0.11 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3kr3 s SER 7 CO 0.23 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.05 3kr3 n GLY 8 N -0.32 0.33 3.76 7.32 0.00 -1.26 -2.00 105.19 113.02 3kr3 n GLY 8 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3kr3 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kr3 s GLY 9 N -2.04 1.63 0.00 -0.02 0.00 -1.26 -4.63 107.32 100.99 3kr3 s GLY 9 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.66 3kr3 s GLY 9 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 173.10 174.09 3kr3 n GLY 10 N -1.48 -0.52 3.87 0.20 0.00 -0.57 -4.93 105.19 101.76 3kr3 n GLY 10 Ca 0.07 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 3kr3 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kr3 s LEU 11 N 0.00 4.40 -0.23 0.99 2.96 -1.26 -0.80 118.68 124.73 3kr3 s LEU 11 Ca 0.00 0.64 -0.21 0.00 -0.22 0.00 0.00 54.13 54.34 3kr3 s LEU 11 Cb 0.00 -2.49 0.06 0.00 0.50 0.00 0.00 46.19 44.26 3kr3 s LEU 11 CO 0.00 0.31 0.62 0.54 -1.32 0.00 0.00 176.35 176.50 3kr3 s VAL 12 N -1.18 -0.00 0.55 1.68 0.11 -0.51 -4.95 120.40 116.11 3kr3 s VAL 12 Ca 0.23 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.11 3kr3 s VAL 12 Cb -0.14 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 3kr3 s VAL 12 CO 0.12 0.00 1.07 -1.10 -3.33 0.00 0.00 175.10 171.86 3kr3 s GLN 13 N 0.39 3.44 0.31 1.54 -0.21 -1.25 -1.45 119.66 122.44 3kr3 s GLN 13 Ca -0.01 1.33 -0.27 0.00 0.02 0.00 0.00 55.36 56.44 3kr3 s GLN 13 Cb -0.04 -2.04 -0.14 0.00 1.00 0.00 0.00 33.01 31.79 3kr3 s GLN 13 CO -0.00 -0.72 1.00 -2.30 -2.12 0.00 0.00 175.29 171.15 3kr3 n PRO 14 N -1.59 1.36 0.00 2.91 -0.02 -1.26 -0.76 135.00 135.64 3kr3 n PRO 14 Ca 0.09 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kr3 n PRO 14 Cb 0.52 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3kr3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr3 n GLY 15 N 1.22 2.63 1.36 -1.23 0.00 0.11 -4.93 105.19 104.34 3kr3 n GLY 15 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3kr3 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr3 n GLY 16 N -2.00 -1.60 2.86 -0.02 0.00 0.06 -3.91 105.19 100.58 3kr3 n GLY 16 Ca 0.00 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 3kr3 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kr3 s SER 17 N -2.71 0.01 0.01 1.61 0.15 -1.26 -1.58 113.70 109.93 3kr3 s SER 17 Ca 0.27 0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 3kr3 s SER 17 Cb -0.01 -0.00 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 3kr3 s SER 17 CO 0.19 -0.02 0.06 -0.76 1.20 0.00 0.00 173.24 173.92 3kr3 s LEU 18 N 0.13 1.87 -0.19 3.45 1.43 -0.35 -5.02 118.68 120.00 3kr3 s LEU 18 Ca -0.01 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3kr3 s LEU 18 Cb -0.02 0.43 0.03 0.00 0.03 0.00 0.00 46.19 46.67 3kr3 s LEU 18 CO -0.00 -0.36 -0.14 -0.60 0.23 0.00 0.00 176.35 175.48 3kr3 s ARG 19 N -1.59 2.34 0.23 1.70 3.52 -1.26 -0.50 118.95 123.39 3kr3 s ARG 19 Ca -0.14 -0.82 -0.09 0.00 -0.13 0.00 0.00 55.73 54.55 3kr3 s ARG 19 Cb -0.08 -2.42 -0.07 0.00 -1.56 0.00 0.00 34.95 30.82 3kr3 s ARG 19 CO -0.00 -0.34 0.54 -0.51 -0.81 0.00 0.00 175.30 174.17 3kr3 s LEU 20 N 1.36 4.17 0.06 -0.88 1.43 -0.56 -4.61 118.68 119.65 3kr3 s LEU 20 Ca 0.01 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 3kr3 s LEU 20 Cb -0.15 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 3kr3 s LEU 20 CO -0.10 -0.07 -0.14 -0.44 0.23 0.00 0.00 176.35 175.83 3kr3 s SER 21 N -2.42 1.64 -0.19 2.29 0.01 -0.85 -1.67 113.70 112.50 3kr3 s SER 21 Ca 0.47 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 3kr3 s SER 21 Cb -0.11 -0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.13 3kr3 s SER 21 CO 0.22 -0.04 0.17 0.00 0.41 0.00 0.00 173.24 174.00 3kr3 s ALA 23 N 2.25 3.36 0.02 0.00 0.00 0.64 -0.41 121.76 127.63 3kr3 s ALA 23 Ca 0.05 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 3kr3 s ALA 23 Cb -0.16 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 3kr3 s ALA 23 CO -0.12 -0.45 0.35 0.00 0.00 0.00 0.00 175.76 175.55 3kr3 s ALA 24 N 1.56 3.75 -0.00 0.00 0.00 0.49 -1.36 121.76 126.20 3kr3 s ALA 24 Ca 0.06 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 3kr3 s ALA 24 Cb -0.15 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.74 3kr3 s ALA 24 CO 0.07 0.56 0.21 -1.54 0.00 0.00 0.00 175.76 175.06 3kr3 s SER 25 N -1.45 -0.06 0.00 0.00 1.04 0.00 -4.86 113.70 108.37 3kr3 s SER 25 Ca 0.27 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.60 3kr3 s SER 25 Cb -0.14 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3kr3 s SER 25 CO 0.15 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.56 3kr3 n GLY 26 N 1.31 0.69 3.46 7.32 0.00 -1.26 -0.97 105.19 115.74 3kr3 n GLY 26 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 3kr3 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kr3 s PHE 27 N -2.36 0.05 -1.08 1.61 -0.71 -1.26 -4.58 117.98 109.64 3kr3 s PHE 27 Ca 0.00 -0.40 -0.22 0.00 -1.04 0.00 0.00 56.93 55.27 3kr3 s PHE 27 Cb 0.00 0.24 0.06 0.00 -1.21 0.00 0.00 43.02 42.11 3kr3 s PHE 27 CO 0.00 -0.85 1.51 0.99 -1.34 0.00 0.00 175.22 175.53 3kr3 s THR 28 N -3.90 3.98 0.34 -4.49 2.01 -1.26 -4.86 115.64 107.46 3kr3 s THR 28 Ca 0.12 -1.05 0.12 0.00 0.31 0.00 0.00 61.69 61.18 3kr3 s THR 28 Cb 0.00 -5.09 0.36 0.00 0.01 0.00 0.00 72.50 67.79 3kr3 s THR 28 CO -0.02 -1.95 1.60 0.15 -0.69 0.00 0.00 174.62 173.71 3kr3 h PHE 29 N 9.26 0.53 0.00 4.92 3.57 -1.96 -2.20 116.94 131.05 3kr3 h PHE 29 Ca 0.26 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 3kr3 h PHE 29 Cb 0.98 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 3kr3 h PHE 29 CO 1.31 -0.38 -0.01 0.66 -2.23 0.00 0.00 178.31 177.66 3kr3 h SER 30 N 0.08 0.00 0.41 0.41 4.64 -1.89 -2.48 113.55 114.73 3kr3 h SER 30 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 3kr3 h SER 30 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 3kr3 h SER 30 CO -0.77 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 175.78 3kr3 n ASN 31 N -3.10 0.00 -4.27 4.97 3.02 -0.83 -4.43 115.26 110.61 3kr3 n ASN 31 Ca 0.00 0.06 -0.31 0.00 -0.03 0.00 0.00 54.58 54.30 3kr3 n ASN 31 Cb 0.27 -0.31 -0.16 0.00 -0.61 0.00 0.00 39.78 38.97 3kr3 n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kr3 s TYR 32 N -2.62 2.39 0.14 3.10 2.02 -0.93 -4.94 117.35 116.51 3kr3 s TYR 32 Ca 0.18 -0.66 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 3kr3 s TYR 32 Cb 0.13 -1.56 -0.07 0.00 -0.40 0.00 0.00 41.96 40.06 3kr3 s TYR 32 CO 0.31 -0.18 1.10 0.42 -1.57 0.00 0.00 175.55 175.63 3kr3 s ILE 33 N -0.25 4.01 0.22 2.71 1.01 -1.26 -4.04 121.20 123.59 3kr3 s ILE 33 Ca -0.01 1.66 0.11 0.00 0.00 0.00 0.00 60.65 62.41 3kr3 s ILE 33 Cb -0.13 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 3kr3 s ILE 33 CO 0.03 0.25 -0.22 -0.04 0.00 0.00 0.00 174.94 174.96 3kr3 s MET 34 N -0.04 1.55 0.01 2.79 -1.94 -0.98 -1.71 119.30 118.98 3kr3 s MET 34 Ca 0.51 -1.60 0.02 0.00 -1.71 0.00 0.00 55.69 52.91 3kr3 s MET 34 Cb -0.28 -1.76 -0.01 0.00 2.01 0.00 0.00 34.83 34.79 3kr3 s MET 34 CO 0.33 0.36 -0.08 -1.58 -0.01 0.00 0.00 175.02 174.04 3kr3 s TRP 35 N -2.02 0.67 -0.06 -0.03 0.52 -0.50 -1.41 118.94 116.10 3kr3 s TRP 35 Ca 0.24 -0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.15 3kr3 s TRP 35 Cb -0.07 -0.42 -0.03 0.00 -1.15 0.00 0.00 33.47 31.81 3kr3 s TRP 35 CO 0.11 -0.02 -0.10 -1.58 0.02 0.00 0.00 176.95 175.38 3kr3 s TRP 36 N -0.50 2.85 -0.02 -1.98 0.52 0.84 -1.62 118.94 119.03 3kr3 s TRP 36 Ca -0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 56.10 56.03 3kr3 s TRP 36 Cb -0.05 -1.69 0.01 0.00 -1.15 0.00 0.00 33.47 30.59 3kr3 s TRP 36 CO 0.00 0.26 0.06 0.08 0.02 0.00 0.00 176.95 177.37 3kr3 s VAL 37 N -0.73 -0.00 0.19 4.03 1.01 0.32 0.25 120.40 125.47 3kr3 s VAL 37 Ca 0.11 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.20 3kr3 s VAL 37 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3kr3 s VAL 37 CO 0.01 0.01 -0.19 0.00 0.00 0.00 0.00 175.10 174.93 3kr3 s ARG 38 N 0.12 1.37 -0.29 2.72 1.70 0.97 0.30 118.95 125.85 3kr3 s ARG 38 Ca -0.01 -1.49 -0.01 0.00 -0.47 0.00 0.00 55.73 53.76 3kr3 s ARG 38 Cb -0.01 -1.46 0.09 0.00 -0.57 0.00 0.00 34.95 33.00 3kr3 s ARG 38 CO -0.00 0.29 0.07 -1.14 -1.08 0.00 0.00 175.30 173.44 3kr3 s GLN 39 N -2.93 0.84 0.43 3.89 0.74 0.19 -0.41 119.66 122.41 3kr3 s GLN 39 Ca 0.19 -1.02 -0.23 0.00 0.05 0.00 0.00 55.36 54.35 3kr3 s GLN 39 Cb -0.06 -2.14 -0.08 0.00 1.10 0.00 0.00 33.01 31.83 3kr3 s GLN 39 CO 0.08 -0.89 1.09 0.00 -0.55 0.00 0.00 175.29 175.02 3kr3 s ALA 40 N 1.59 3.02 -0.20 1.58 0.00 -1.26 -1.40 121.76 125.09 3kr3 s ALA 40 Ca 0.07 0.77 -0.40 0.00 0.00 0.00 0.00 51.96 52.39 3kr3 s ALA 40 Cb -0.17 -3.31 -0.17 0.00 0.00 0.00 0.00 23.12 19.47 3kr3 s ALA 40 CO -0.20 -0.38 1.60 -2.30 0.00 0.00 0.00 175.76 174.49 3kr3 n PRO 41 N -0.31 0.96 -3.29 0.00 -0.02 -1.26 -0.78 135.00 130.29 3kr3 n PRO 41 Ca 0.06 0.35 -0.24 0.00 -2.02 0.00 0.00 63.50 61.65 3kr3 n PRO 41 Cb 0.49 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 3kr3 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr3 n GLY 42 N 3.64 -0.51 3.45 -1.23 0.00 -1.26 -5.00 105.19 104.28 3kr3 n GLY 42 Ca 0.25 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 3kr3 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr3 s LYS 43 N -5.97 1.73 0.75 1.61 1.02 0.04 -5.16 119.74 113.78 3kr3 s LYS 43 Ca 0.40 -2.01 -0.10 0.00 0.02 0.00 0.00 55.97 54.29 3kr3 s LYS 43 Cb -0.19 -0.64 0.06 0.00 -0.52 0.00 0.00 37.83 36.54 3kr3 s LYS 43 CO 0.49 -0.34 1.10 0.20 -0.92 0.00 0.00 175.35 175.89 3kr3 s GLY 44 N -3.51 1.63 0.40 -3.33 0.00 -1.26 -4.67 107.32 96.58 3kr3 s GLY 44 Ca 0.31 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 44.05 3kr3 s GLY 44 CO 0.15 -0.28 1.33 1.08 0.00 0.00 0.00 173.10 175.38 3kr3 s LEU 45 N -5.42 4.24 -0.04 0.66 1.43 -1.26 -4.33 118.68 113.95 3kr3 s LEU 45 Ca 0.61 2.72 -0.02 0.00 -1.03 0.00 0.00 54.13 56.41 3kr3 s LEU 45 Cb -0.11 -3.85 0.03 0.00 0.03 0.00 0.00 46.19 42.29 3kr3 s LEU 45 CO 0.48 -0.85 0.10 -1.83 0.23 0.00 0.00 176.35 174.47 3kr3 s GLU 46 N -2.19 0.05 0.16 1.70 -1.05 0.45 -4.97 118.70 112.84 3kr3 s GLU 46 Ca 0.56 0.26 -0.33 0.00 -0.15 0.00 0.00 54.97 55.31 3kr3 s GLU 46 Cb -0.40 -0.16 -0.16 0.00 -0.44 0.00 0.00 34.13 32.97 3kr3 s GLU 46 CO 0.51 -0.13 1.03 1.87 0.95 0.00 0.00 175.26 179.49 3kr3 n TRP 47 N 3.96 0.88 -0.08 4.83 -0.00 -1.26 -0.02 117.44 125.75 3kr3 n TRP 47 Ca -0.24 0.79 -0.16 0.00 -0.00 0.00 0.00 57.50 57.89 3kr3 n TRP 47 Cb 0.53 -2.19 -0.05 0.00 -0.00 0.00 0.00 31.31 29.59 3kr3 n TRP 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 3kr3 n VAL 48 N 1.15 0.85 -3.49 5.87 0.31 0.14 -4.70 118.33 118.46 3kr3 n VAL 48 Ca 0.16 -0.20 -0.16 0.00 -0.01 0.00 0.00 64.34 64.13 3kr3 n VAL 48 Cb 0.22 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.39 3kr3 n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3kr3 s SER 49 N -6.36 -0.62 -0.01 4.52 0.15 -0.95 -1.42 113.70 109.01 3kr3 s SER 49 Ca -0.21 0.47 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 3kr3 s SER 49 Cb 0.08 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 3kr3 s SER 49 CO 0.27 -0.71 0.05 0.54 1.20 0.00 0.00 173.24 174.58 3kr3 s VAL 50 N -2.03 0.02 0.04 4.45 0.11 -0.31 -0.11 120.40 122.57 3kr3 s VAL 50 Ca -0.07 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 58.85 3kr3 s VAL 50 Cb -0.00 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.69 3kr3 s VAL 50 CO 0.02 -0.10 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.06 3kr3 s ILE 51 N -0.28 0.95 1.06 7.04 2.07 -0.50 -1.16 121.20 130.38 3kr3 s ILE 51 Ca -0.03 -0.93 -0.16 0.00 -1.41 0.00 0.00 60.65 58.12 3kr3 s ILE 51 Cb -0.02 -0.88 0.22 0.00 0.13 0.00 0.00 42.46 41.91 3kr3 s ILE 51 CO 0.00 -0.04 1.15 -0.94 -1.91 0.00 0.00 174.94 173.19 3kr3 s SER 52 N -1.10 2.21 0.14 4.50 1.04 -0.16 -2.33 113.70 118.00 3kr3 s SER 52 Ca -0.00 0.76 -0.12 0.00 0.48 0.00 0.00 55.95 57.07 3kr3 s SER 52 Cb -0.08 -1.14 -0.02 0.00 0.10 0.00 0.00 66.02 64.89 3kr3 s SER 52 CO 0.01 -3.34 1.52 0.77 0.98 0.00 0.00 173.24 173.18 3kr3 h SER 53 N -2.04 0.94 -0.24 7.02 4.64 -1.84 -2.68 113.55 119.34 3kr3 h SER 53 Ca -0.48 -0.40 -0.08 0.00 -0.47 0.00 0.00 61.79 60.35 3kr3 h SER 53 Cb 1.30 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3kr3 h SER 53 CO 0.46 1.13 -0.12 0.77 -0.87 0.00 0.00 176.83 178.21 3kr3 h SER 54 N 0.74 0.63 0.00 4.97 4.64 -1.88 -3.45 113.55 119.20 3kr3 h SER 54 Ca 0.10 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3kr3 h SER 54 Cb 0.78 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3kr3 h SER 54 CO 0.06 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 3kr3 n GLY 55 N -0.53 1.59 0.00 -0.77 0.00 -1.01 -4.89 105.19 99.59 3kr3 n GLY 55 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3kr3 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr3 n GLY 56 N -0.87 -0.84 2.99 -0.02 0.00 -1.26 -4.72 105.19 100.47 3kr3 n GLY 56 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3kr3 n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kr3 s MET 57 N -2.45 0.34 0.12 1.61 -1.94 -1.26 -5.04 119.30 110.68 3kr3 s MET 57 Ca 0.20 -0.62 -0.13 0.00 -1.71 0.00 0.00 55.69 53.43 3kr3 s MET 57 Cb 0.13 0.03 0.02 0.00 2.01 0.00 0.00 34.83 37.01 3kr3 s MET 57 CO 0.27 -0.03 0.32 0.95 -0.01 0.00 0.00 175.02 176.53 3kr3 s THR 58 N -1.40 0.09 -0.07 2.05 -4.23 -1.26 -0.99 115.64 109.83 3kr3 s THR 58 Ca -0.14 -0.88 -0.18 0.00 -1.18 0.00 0.00 61.69 59.30 3kr3 s THR 58 Cb -0.10 -1.32 0.04 0.00 1.34 0.00 0.00 72.50 72.46 3kr3 s THR 58 CO -0.01 -0.42 0.43 -0.60 -0.54 0.00 0.00 174.62 173.49 3kr3 s ARG 59 N -3.84 0.70 -0.00 3.99 3.52 -0.31 -5.00 118.95 118.01 3kr3 s ARG 59 Ca 0.05 0.16 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 3kr3 s ARG 59 Cb 0.03 0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.74 3kr3 s ARG 59 CO -0.10 -0.17 -0.06 0.71 -0.81 0.00 0.00 175.30 174.86 3kr3 s TYR 60 N -0.80 0.57 0.45 5.12 2.02 -1.26 -1.16 117.35 122.28 3kr3 s TYR 60 Ca -0.09 -0.13 -0.25 0.00 -0.37 0.00 0.00 57.07 56.24 3kr3 s TYR 60 Cb -0.04 -0.36 -0.09 0.00 -0.40 0.00 0.00 41.96 41.07 3kr3 s TYR 60 CO 0.04 -0.01 1.29 0.00 -1.57 0.00 0.00 175.55 175.30 3kr3 n ALA 61 N 2.85 1.37 -0.26 3.71 0.00 -0.50 -4.87 120.51 122.81 3kr3 n ALA 61 Ca -0.13 0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.58 3kr3 n ALA 61 Cb 0.58 -2.29 0.17 0.00 0.00 0.00 0.00 19.45 17.91 3kr3 n ALA 61 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kr3 h ASP 62 N 1.97 0.42 0.00 0.00 3.32 -1.95 -1.17 116.42 119.02 3kr3 h ASP 62 Ca -0.49 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3kr3 h ASP 62 Cb 1.30 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3kr3 h ASP 62 CO 0.59 0.21 0.20 0.77 -1.72 0.00 0.00 179.24 179.30 3kr3 h SER 63 N 0.56 0.00 -0.00 6.45 4.64 -1.97 -2.78 113.55 120.45 3kr3 h SER 63 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3kr3 h SER 63 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kr3 h SER 63 CO -0.32 0.00 -0.00 1.33 -0.87 0.00 0.00 176.83 176.97 3kr3 n VAL 64 N -2.91 0.00 -2.06 0.95 0.24 -0.46 -5.02 118.33 109.08 3kr3 n VAL 64 Ca -0.02 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.36 3kr3 n VAL 64 Cb 0.26 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 3kr3 n VAL 64 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3kr3 s LYS 65 N -0.14 4.29 0.00 7.34 1.02 -1.05 -1.59 119.74 129.60 3kr3 s LYS 65 Ca 0.01 2.24 0.00 0.00 0.02 0.00 0.00 55.97 58.23 3kr3 s LYS 65 Cb 0.00 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3kr3 s LYS 65 CO 0.01 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 3kr3 n GLY 66 N 2.60 1.93 0.04 -3.33 0.00 -1.26 -4.82 105.19 100.35 3kr3 n GLY 66 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 3kr3 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr3 n ARG 67 N -2.00 1.55 -4.16 1.61 1.74 -0.62 -5.02 116.66 109.76 3kr3 n ARG 67 Ca 0.00 0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 3kr3 n ARG 67 Cb 0.00 -1.16 -0.08 0.00 -1.02 0.00 0.00 32.46 30.20 3kr3 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kr3 s PHE 68 N -2.16 2.93 -0.06 -1.55 0.40 -0.79 -1.08 117.98 115.67 3kr3 s PHE 68 Ca -0.07 -0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 3kr3 s PHE 68 Cb 0.02 -1.47 0.03 0.00 0.51 0.00 0.00 43.02 42.11 3kr3 s PHE 68 CO 0.22 0.49 0.00 0.99 0.70 0.00 0.00 175.22 177.63 3kr3 s THR 69 N -1.48 0.32 0.18 0.64 2.01 0.10 -4.90 115.64 112.51 3kr3 s THR 69 Ca 0.26 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 3kr3 s THR 69 Cb -0.11 -0.47 -0.07 0.00 0.01 0.00 0.00 72.50 71.86 3kr3 s THR 69 CO 0.18 0.24 0.55 -0.51 -0.69 0.00 0.00 174.62 174.39 3kr3 s ILE 70 N 1.79 4.89 0.24 1.82 2.07 -1.26 0.79 121.20 131.54 3kr3 s ILE 70 Ca 0.02 0.68 -0.22 0.00 -1.41 0.00 0.00 60.65 59.72 3kr3 s ILE 70 Cb -0.13 -3.68 0.04 0.00 0.13 0.00 0.00 42.46 38.82 3kr3 s ILE 70 CO -0.04 0.12 0.81 -0.94 -1.91 0.00 0.00 174.94 172.98 3kr3 s SER 71 N -1.97 -0.21 0.06 4.50 1.04 -0.95 -4.98 113.70 111.19 3kr3 s SER 71 Ca 0.41 -0.57 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 3kr3 s SER 71 Cb -0.13 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.65 3kr3 s SER 71 CO 0.20 -1.21 0.28 0.00 0.98 0.00 0.00 173.24 173.49 3kr3 s ARG 72 N -3.60 0.83 -0.29 4.02 1.70 -1.26 0.02 118.95 120.37 3kr3 s ARG 72 Ca 0.12 -0.63 0.02 0.00 -0.47 0.00 0.00 55.73 54.77 3kr3 s ARG 72 Cb -0.04 0.35 0.08 0.00 -0.57 0.00 0.00 34.95 34.77 3kr3 s ARG 72 CO 0.06 -0.27 0.02 0.34 -1.08 0.00 0.00 175.30 174.36 3kr3 s ASP 73 N -2.30 4.24 0.50 -2.89 -1.08 -0.35 -4.98 116.67 109.80 3kr3 s ASP 73 Ca -0.02 -1.64 0.29 0.00 -0.52 0.00 0.00 52.55 50.65 3kr3 s ASP 73 Cb 0.01 -1.27 1.13 0.00 -1.46 0.00 0.00 42.92 41.32 3kr3 s ASP 73 CO -0.06 -0.33 1.90 0.78 0.52 0.00 0.00 175.17 177.98 3kr3 h ASN 74 N 7.86 0.00 0.30 -0.34 -0.26 -1.90 -2.12 115.58 119.12 3kr3 h ASN 74 Ca -0.12 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.49 3kr3 h ASN 74 Cb 1.04 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.29 3kr3 h ASN 74 CO 0.47 0.11 -0.50 0.77 -1.06 0.00 0.00 177.43 177.22 3kr3 h SER 75 N 0.00 0.26 -0.10 5.81 4.64 -1.95 -2.73 113.55 119.47 3kr3 h SER 75 Ca -0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3kr3 h SER 75 Cb 0.63 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3kr3 h SER 75 CO 0.01 0.71 0.00 0.29 -0.87 0.00 0.00 176.83 176.98 3kr3 n LYS 76 N -3.95 2.06 -3.44 4.77 5.02 -1.11 -4.99 118.16 116.52 3kr3 n LYS 76 Ca -0.02 -1.87 -0.20 0.00 -2.02 0.00 0.00 58.31 54.20 3kr3 n LYS 76 Cb 0.54 -1.42 0.07 0.00 -0.02 0.00 0.00 35.03 34.20 3kr3 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kr3 n ASN 77 N 1.23 -5.39 -4.05 4.39 4.13 -0.83 -4.83 115.26 109.92 3kr3 n ASN 77 Ca 0.14 -0.48 -0.17 0.00 1.68 0.00 0.00 54.58 55.74 3kr3 n ASN 77 Cb 0.54 -4.50 -0.14 0.00 -1.54 0.00 0.00 39.78 34.15 3kr3 n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3kr3 s THR 78 N -3.29 0.74 -0.02 3.41 2.01 -1.02 -0.38 115.64 117.09 3kr3 s THR 78 Ca 0.45 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.85 3kr3 s THR 78 Cb -0.20 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 3kr3 s THR 78 CO 0.64 0.03 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.22 3kr3 s LEU 79 N -0.70 2.67 0.12 4.42 2.96 0.45 -1.22 118.68 127.39 3kr3 s LEU 79 Ca 0.00 -0.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 3kr3 s LEU 79 Cb -0.06 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3kr3 s LEU 79 CO 0.00 0.31 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.83 3kr3 s TYR 80 N -0.80 1.78 -0.15 5.38 2.02 0.10 -0.66 117.35 125.02 3kr3 s TYR 80 Ca 0.13 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3kr3 s TYR 80 Cb -0.11 -0.95 0.04 0.00 -0.40 0.00 0.00 41.96 40.54 3kr3 s TYR 80 CO 0.02 0.23 -0.05 -1.17 -1.57 0.00 0.00 175.55 173.02 3kr3 s LEU 81 N -2.10 1.42 -0.33 -1.29 2.96 -0.67 -2.23 118.68 116.44 3kr3 s LEU 81 Ca 0.09 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.28 3kr3 s LEU 81 Cb -0.09 -0.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 3kr3 s LEU 81 CO 0.05 -0.18 0.37 -1.58 -1.32 0.00 0.00 176.35 173.69 3kr3 s GLN 82 N 1.69 3.62 -0.33 1.98 2.00 0.24 -1.50 119.66 127.35 3kr3 s GLN 82 Ca 0.02 -0.35 -0.08 0.00 -2.00 0.00 0.00 55.36 52.94 3kr3 s GLN 82 Cb -0.15 -3.79 0.01 0.00 0.80 0.00 0.00 33.01 29.89 3kr3 s GLN 82 CO -0.08 -0.50 0.13 -1.64 -0.50 0.00 0.00 175.29 172.71 3kr3 s MET 83 N 2.04 3.01 0.42 1.67 -1.94 0.35 0.00 119.30 124.86 3kr3 s MET 83 Ca 0.12 -0.93 0.06 0.00 -1.71 0.00 0.00 55.69 53.23 3kr3 s MET 83 Cb -0.16 -3.52 -0.07 0.00 2.01 0.00 0.00 34.83 33.08 3kr3 s MET 83 CO 0.12 -0.54 0.01 -0.80 -0.01 0.00 0.00 175.02 173.80 3kr3 s ASN 84 N 1.52 3.91 -1.62 3.03 0.02 -0.24 -1.21 114.94 120.36 3kr3 s ASN 84 Ca 0.02 -1.41 -0.06 0.00 -1.02 0.00 0.00 52.86 50.39 3kr3 s ASN 84 Cb -0.18 -0.26 0.06 0.00 0.02 0.00 0.00 41.25 40.89 3kr3 s ASN 84 CO 0.04 -0.51 0.22 -1.20 0.02 0.00 0.00 177.10 175.68 3kr3 n SER 85 N -1.01 -0.03 -4.73 -1.22 7.64 -1.11 -4.64 113.62 108.52 3kr3 n SER 85 Ca -0.07 -1.23 -0.42 0.00 1.01 0.00 0.00 58.87 58.16 3kr3 n SER 85 Cb 0.67 -1.82 -0.03 0.00 -1.01 0.00 0.00 64.21 62.02 3kr3 n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kr3 n LEU 86 N -4.44 4.16 -4.67 -3.43 4.77 -0.61 -4.57 117.00 108.20 3kr3 n LEU 86 Ca -0.21 1.09 -0.24 0.00 -0.03 0.00 0.00 56.01 56.62 3kr3 n LEU 86 Cb 0.63 -1.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.06 3kr3 n LEU 86 CO 0.87 0.19 -0.31 -0.13 -1.33 0.00 0.00 177.39 176.68 3kr3 s ARG 87 N 0.61 2.39 0.31 3.23 0.52 -1.26 0.07 118.95 124.82 3kr3 s ARG 87 Ca 0.71 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.67 3kr3 s ARG 87 Cb -0.50 -2.27 0.59 0.00 0.52 0.00 0.00 34.95 33.30 3kr3 s ARG 87 CO 0.38 0.40 1.88 0.00 0.02 0.00 0.00 175.30 177.98 3kr3 h ALA 88 N 2.11 1.58 0.00 2.13 0.00 -1.95 -1.50 119.26 121.62 3kr3 h ALA 88 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kr3 h ALA 88 Cb 1.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3kr3 h ALA 88 CO 0.59 0.23 0.00 0.39 0.00 0.00 0.00 179.25 180.47 3kr3 n GLU 89 N -4.54 0.21 0.00 0.00 4.71 -1.26 -1.48 120.64 118.28 3kr3 n GLU 89 Ca 0.16 0.11 0.12 0.00 -0.01 0.00 0.00 57.16 57.53 3kr3 n GLU 89 Cb 0.30 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.42 3kr3 n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kr3 n ASP 90 N -1.16 0.58 -4.68 1.62 8.00 -0.56 -4.89 116.55 115.46 3kr3 n ASP 90 Ca 0.06 -0.34 -0.46 0.00 0.71 0.00 0.00 54.79 54.75 3kr3 n ASP 90 Cb 0.05 0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 3kr3 n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3kr3 n THR 91 N -1.53 0.43 0.00 -3.53 -1.04 -0.55 -4.89 114.28 103.17 3kr3 n THR 91 Ca 0.05 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3kr3 n THR 91 Cb 0.34 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 3kr3 n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kr3 n ALA 92 N 5.79 0.00 -2.64 2.41 0.00 -0.62 -4.47 120.51 120.99 3kr3 n ALA 92 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 3kr3 n ALA 92 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 3kr3 n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kr3 s VAL 93 N -2.00 4.92 -0.21 0.00 1.01 -0.49 -0.69 120.40 122.94 3kr3 s VAL 93 Ca 0.00 1.67 -0.05 0.00 0.00 0.00 0.00 61.98 63.60 3kr3 s VAL 93 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3kr3 s VAL 93 CO 0.00 0.25 -0.02 -0.31 0.00 0.00 0.00 175.10 175.03 3kr3 s TYR 94 N 0.65 3.00 -0.08 5.22 1.51 0.87 0.54 117.35 129.06 3kr3 s TYR 94 Ca 0.42 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 3kr3 s TYR 94 Cb -0.19 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 3kr3 s TYR 94 CO 0.22 -0.38 -0.03 0.71 -1.11 0.00 0.00 175.55 174.96 3kr3 s TYR 95 N 1.25 3.07 0.24 2.71 2.02 0.15 -0.97 117.35 125.81 3kr3 s TYR 95 Ca 0.03 0.11 -0.04 0.00 -0.37 0.00 0.00 57.07 56.80 3kr3 s TYR 95 Cb -0.15 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 3kr3 s TYR 95 CO 0.00 0.40 0.49 0.00 -1.57 0.00 0.00 175.55 174.87 3kr3 s ALA 97 N -1.96 -1.14 0.12 0.00 0.00 -0.64 0.08 121.76 118.23 3kr3 s ALA 97 Ca 0.43 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 3kr3 s ALA 97 Cb -0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 3kr3 s ALA 97 CO 0.28 -0.27 0.35 0.50 0.00 0.00 0.00 175.76 176.62 3kr3 s ARG 98 N -0.80 3.60 0.00 0.00 3.52 0.10 -1.41 118.95 123.96 3kr3 s ARG 98 Ca -0.09 -0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 3kr3 s ARG 98 Cb -0.03 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 3kr3 s ARG 98 CO 0.04 0.50 1.03 0.34 -0.81 0.00 0.00 175.30 176.40 3kr3 s ASP 99 N -2.39 7.30 0.04 -2.12 -1.08 -0.69 -2.40 116.67 115.34 3kr3 s ASP 99 Ca 0.39 1.72 0.28 0.00 -0.52 0.00 0.00 52.55 54.42 3kr3 s ASP 99 Cb -0.12 -2.57 1.03 0.00 -1.46 0.00 0.00 42.92 39.80 3kr3 s ASP 99 CO 0.24 -0.32 1.81 -3.20 0.52 0.00 0.00 175.17 174.23 3kr3 n ASN 100 N 4.01 0.25 0.00 -0.34 5.15 -0.97 -4.77 115.26 118.59 3kr3 n ASN 100 Ca 0.07 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.45 3kr3 n ASN 100 Cb 0.50 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 3kr3 n ASN 100 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kr3 n GLY 101 N 1.46 5.92 0.00 8.20 0.00 -1.26 -4.85 105.19 114.66 3kr3 n GLY 101 Ca 0.06 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3kr3 n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kr3 n ASP 102 N 0.00 0.37 -0.18 1.61 8.00 -1.26 -4.74 116.55 120.35 3kr3 n ASP 102 Ca 0.00 -0.68 0.06 0.00 0.71 0.00 0.00 54.79 54.88 3kr3 n ASP 102 Cb 0.00 0.43 0.08 0.00 -0.02 0.00 0.00 41.12 41.62 3kr3 n ASP 102 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kr3 n TYR 103 N -0.43 0.00 -1.93 1.24 4.01 -1.26 -5.02 117.16 113.77 3kr3 n TYR 103 Ca 0.00 -0.65 -0.02 0.00 -0.16 0.00 0.00 57.90 57.07 3kr3 n TYR 103 Cb 0.02 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 3kr3 n TYR 103 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kr3 n VAL 104 N -0.91 -4.68 -0.19 -0.72 0.31 -1.26 -4.60 118.33 106.28 3kr3 n VAL 104 Ca 0.10 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 3kr3 n VAL 104 Cb 0.62 -4.95 0.00 0.00 -0.91 0.00 0.00 33.84 28.60 3kr3 n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kr3 n GLY 105 N -0.58 0.87 0.18 2.92 0.00 -1.26 -4.96 105.19 102.36 3kr3 n GLY 105 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3kr3 n GLY 105 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kr3 h GLU 106 N 3.59 0.00 0.00 1.61 9.09 -1.95 -3.21 114.58 123.71 3kr3 h GLU 106 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 3kr3 h GLU 106 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 3kr3 h GLU 106 CO 0.00 0.00 -0.45 1.63 0.05 0.00 0.00 179.01 180.24 3kr3 n LYS 107 N -2.75 1.28 0.00 1.06 5.02 -1.26 -5.04 118.16 116.47 3kr3 n LYS 107 Ca 0.04 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.42 3kr3 n LYS 107 Cb 0.44 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3kr3 n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr3 n GLY 108 N -0.96 -1.85 3.08 0.72 0.00 -1.22 -4.67 105.19 100.30 3kr3 n GLY 108 Ca 0.16 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 3kr3 n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kr3 s PHE 109 N 0.00 2.73 -0.11 1.61 0.08 -1.26 -2.29 117.98 118.74 3kr3 s PHE 109 Ca 0.00 -1.69 -0.14 0.00 0.12 0.00 0.00 56.93 55.22 3kr3 s PHE 109 Cb 0.00 -1.84 -0.27 0.00 -0.57 0.00 0.00 43.02 40.34 3kr3 s PHE 109 CO 0.00 -0.79 0.50 0.38 -0.10 0.00 0.00 175.22 175.21 3kr3 h ASP 110 N 7.93 0.37 -3.32 1.36 2.03 -1.77 -3.46 116.42 119.56 3kr3 h ASP 110 Ca -0.39 -0.85 -0.65 0.00 -0.73 0.00 0.00 57.03 54.41 3kr3 h ASP 110 Cb 1.12 -0.12 -0.26 0.00 -0.83 0.00 0.00 39.33 39.24 3kr3 h ASP 110 CO 0.58 1.66 -0.74 -0.63 -1.03 0.00 0.00 179.24 179.08 3kr3 s ILE 111 N -2.49 3.28 -0.02 4.15 1.01 -1.26 -4.97 121.20 120.90 3kr3 s ILE 111 Ca -0.21 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 59.95 3kr3 s ILE 111 Cb 0.05 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3kr3 s ILE 111 CO 0.76 0.50 -0.25 0.26 0.00 0.00 0.00 174.94 176.21 3kr3 s TRP 112 N 0.51 2.29 1.09 3.97 0.52 -1.26 0.02 118.94 126.09 3kr3 s TRP 112 Ca -0.07 -0.46 -0.14 0.00 0.02 0.00 0.00 56.10 55.45 3kr3 s TRP 112 Cb -0.15 -1.48 0.17 0.00 -1.15 0.00 0.00 33.47 30.86 3kr3 s TRP 112 CO 0.04 -0.06 0.60 0.41 0.02 0.00 0.00 176.95 177.96 3kr3 n GLY 113 N 2.51 -1.97 0.00 0.98 0.00 0.11 -4.50 105.19 102.32 3kr3 n GLY 113 Ca -0.16 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.06 3kr3 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr3 n GLN 114 N -3.42 0.26 0.00 1.61 0.00 -1.24 -4.80 117.38 109.79 3kr3 n GLN 114 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.09 3kr3 n GLN 114 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.30 3kr3 n GLN 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kr3 n GLY 115 N 0.91 0.24 2.88 2.61 0.00 -1.26 -5.05 105.19 105.51 3kr3 n GLY 115 Ca 0.10 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 3kr3 n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kr3 s THR 116 N -1.61 0.40 0.28 2.61 -1.32 -0.15 -4.92 115.64 110.94 3kr3 s THR 116 Ca 0.00 -0.07 -0.27 0.00 -1.21 0.00 0.00 61.69 60.14 3kr3 s THR 116 Cb 0.00 -0.44 -0.09 0.00 -1.51 0.00 0.00 72.50 70.45 3kr3 s THR 116 CO 0.00 0.19 0.93 -0.04 -2.21 0.00 0.00 174.62 173.48 3kr3 s MET 117 N 0.82 4.67 -0.11 7.08 -1.94 -1.26 -0.09 119.30 128.47 3kr3 s MET 117 Ca -0.10 1.36 -0.01 0.00 -1.71 0.00 0.00 55.69 55.23 3kr3 s MET 117 Cb -0.13 -3.00 0.03 0.00 2.01 0.00 0.00 34.83 33.74 3kr3 s MET 117 CO -0.00 0.39 -0.03 0.08 -0.01 0.00 0.00 175.02 175.44 3kr3 s VAL 118 N -1.43 0.71 -0.18 -6.03 1.01 0.13 -1.51 120.40 113.10 3kr3 s VAL 118 Ca 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 3kr3 s VAL 118 Cb -0.21 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.31 3kr3 s VAL 118 CO 0.27 0.23 -0.12 -0.89 0.00 0.00 0.00 175.10 174.59 3kr3 s THR 119 N 1.83 2.77 -0.29 3.92 2.01 0.02 -1.59 115.64 124.30 3kr3 s THR 119 Ca 0.04 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 3kr3 s THR 119 Cb -0.13 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.18 3kr3 s THR 119 CO -0.07 0.49 0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 3kr3 s VAL 120 N 1.17 3.95 -0.18 3.82 1.01 -1.26 -1.43 120.40 127.49 3kr3 s VAL 120 Ca 0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 3kr3 s VAL 120 Cb -0.14 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.33 3kr3 s VAL 120 CO -0.05 0.10 0.94 -0.55 0.00 0.00 0.00 175.10 175.54 3kr3 s SER 121 N 1.50 -0.46 0.49 3.32 0.15 -0.53 -4.57 113.70 113.61 3kr3 s SER 121 Ca 0.03 0.63 0.30 0.00 0.70 0.00 0.00 55.95 57.60 3kr3 s SER 121 Cb -0.17 0.55 1.00 0.00 -1.71 0.00 0.00 66.02 65.69 3kr3 s SER 121 CO 0.02 -0.33 1.84 0.28 1.20 0.00 0.00 173.24 176.25 3kr3 h SER 122 N 3.18 0.00 -4.00 5.45 0.02 -1.95 -3.32 113.55 112.93 3kr3 h SER 122 Ca -0.23 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.23 3kr3 h SER 122 Cb 1.16 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.74 3kr3 h SER 122 CO 0.26 0.00 0.44 0.00 -1.14 0.00 0.00 176.83 176.39 3kr3 s ALA 123 N -3.49 2.99 0.45 3.77 0.00 -1.26 -5.02 121.76 119.20 3kr3 s ALA 123 Ca 0.03 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 3kr3 s ALA 123 Cb 0.08 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 3kr3 s ALA 123 CO 0.58 -0.46 0.97 -1.12 0.00 0.00 0.00 175.76 175.73 3kr3 s SER 124 N -1.53 6.77 0.54 0.00 0.01 -1.26 -4.98 113.70 113.26 3kr3 s SER 124 Ca 0.62 1.72 -0.20 0.00 1.31 0.00 0.00 55.95 59.40 3kr3 s SER 124 Cb -0.25 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.39 3kr3 s SER 124 CO 0.30 -0.48 1.20 0.42 0.41 0.00 0.00 173.24 175.09 3kr3 s THR 125 N -2.21 2.80 -0.07 1.44 -4.23 -1.26 -4.78 115.64 107.33 3kr3 s THR 125 Ca 0.63 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.64 3kr3 s THR 125 Cb -0.11 -3.24 0.04 0.00 1.34 0.00 0.00 72.50 70.54 3kr3 s THR 125 CO 0.17 -0.07 0.13 -0.75 -0.54 0.00 0.00 174.62 173.56 3kr3 s LYS 126 N -3.10 0.01 0.50 3.99 2.20 0.22 -4.94 119.74 118.62 3kr3 s LYS 126 Ca 0.72 0.49 -0.18 0.00 -0.36 0.00 0.00 55.97 56.63 3kr3 s LYS 126 Cb -0.30 -0.31 -0.08 0.00 -1.51 0.00 0.00 37.83 35.63 3kr3 s LYS 126 CO 0.34 -0.29 1.00 0.20 -0.36 0.00 0.00 175.35 176.24 3kr3 s GLY 127 N 2.08 2.25 0.47 5.54 0.00 -1.26 -0.80 107.32 115.60 3kr3 s GLY 127 Ca 0.02 0.37 -0.19 0.00 0.00 0.00 0.00 44.72 44.92 3kr3 s GLY 127 CO -0.05 0.67 0.96 2.56 0.00 0.00 0.00 173.10 177.23 3kr3 s PRO 128 N -3.67 4.09 -0.11 2.90 0.04 -1.26 -4.61 135.00 132.38 3kr3 s PRO 128 Ca 0.62 1.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 3kr3 s PRO 128 Cb -0.12 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3kr3 s PRO 128 CO 0.26 -0.13 0.49 -1.12 0.04 0.00 0.00 177.00 176.53 3kr3 s SER 129 N -2.60 6.71 -0.23 6.66 0.01 0.11 -4.90 113.70 119.46 3kr3 s SER 129 Ca 0.60 0.85 -0.05 0.00 1.31 0.00 0.00 55.95 58.67 3kr3 s SER 129 Cb -0.09 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 3kr3 s SER 129 CO 0.22 0.01 -0.01 -0.69 0.41 0.00 0.00 173.24 173.17 3kr3 s VAL 130 N 0.54 3.58 -0.02 3.43 1.01 -1.26 -0.31 120.40 127.38 3kr3 s VAL 130 Ca 0.27 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.87 3kr3 s VAL 130 Cb -0.15 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3kr3 s VAL 130 CO 0.11 0.38 -0.22 -0.36 0.00 0.00 0.00 175.10 175.01 3kr3 s PHE 131 N 1.51 1.99 0.44 5.22 0.08 0.44 -4.96 117.98 122.69 3kr3 s PHE 131 Ca 0.06 -0.38 -0.25 0.00 0.12 0.00 0.00 56.93 56.48 3kr3 s PHE 131 Cb -0.15 -1.28 -0.08 0.00 -0.57 0.00 0.00 43.02 40.95 3kr3 s PHE 131 CO -0.02 -0.04 1.31 -1.25 -0.10 0.00 0.00 175.22 175.13 3kr3 s PRO 132 N -0.51 3.78 -0.77 0.24 0.04 -1.26 0.11 135.00 136.63 3kr3 s PRO 132 Ca 0.08 2.16 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 3kr3 s PRO 132 Cb -0.09 -2.63 0.19 0.00 0.04 0.00 0.00 34.50 32.02 3kr3 s PRO 132 CO -0.01 -0.65 0.63 -0.51 0.04 0.00 0.00 177.00 176.51 3kr3 s LEU 133 N -2.70 5.60 0.20 -3.56 1.43 0.56 -4.71 118.68 115.51 3kr3 s LEU 133 Ca 0.60 -3.17 -0.30 0.00 -1.03 0.00 0.00 54.13 50.23 3kr3 s LEU 133 Cb -0.38 -1.94 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 3kr3 s LEU 133 CO 0.48 -0.33 1.22 0.00 0.23 0.00 0.00 176.35 177.95 3kr3 s ALA 134 N -0.54 3.46 0.43 4.21 0.00 -1.26 -0.66 121.76 127.39 3kr3 s ALA 134 Ca 0.21 1.00 -0.23 0.00 0.00 0.00 0.00 51.96 52.94 3kr3 s ALA 134 Cb -0.14 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 3kr3 s ALA 134 CO -0.07 -0.40 1.07 -1.25 0.00 0.00 0.00 175.76 175.11 3kr3 s PRO 135 N -0.40 4.02 0.00 0.00 0.04 -1.25 -4.83 135.00 132.58 3kr3 s PRO 135 Ca 0.53 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3kr3 s PRO 135 Cb -0.34 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.76 3kr3 s PRO 135 CO 0.38 -0.28 0.00 -1.13 0.04 0.00 0.00 177.00 176.01 3kr3 n SER 136 N -0.29 0.00 -4.65 6.66 3.41 -1.26 -2.79 113.62 114.69 3kr3 n SER 136 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.25 3kr3 n SER 136 Cb 0.50 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 3kr3 n SER 136 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kr3 s SER 137 N 1.09 6.72 0.00 4.04 1.04 -1.26 -4.92 113.70 120.41 3kr3 s SER 137 Ca 0.00 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.33 3kr3 s SER 137 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3kr3 s SER 137 CO 0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3kr3 n GLY 143 N 4.04 -0.01 2.80 7.32 0.00 -1.26 -5.13 105.19 112.96 3kr3 n GLY 143 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 3kr3 n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr3 s THR 144 N 0.00 0.02 0.06 2.61 2.01 -1.26 -3.25 115.64 115.83 3kr3 s THR 144 Ca 0.00 0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.23 3kr3 s THR 144 Cb 0.00 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 3kr3 s THR 144 CO 0.00 0.09 -0.25 0.00 -0.69 0.00 0.00 174.62 173.76 3kr3 s ALA 145 N 0.83 2.17 -0.08 7.40 0.00 0.65 -4.79 121.76 127.94 3kr3 s ALA 145 Ca -0.07 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 3kr3 s ALA 145 Cb -0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3kr3 s ALA 145 CO -0.02 0.50 0.01 0.00 0.00 0.00 0.00 175.76 176.25 3kr3 s ALA 146 N -0.86 3.33 0.14 0.00 0.00 -1.26 -0.84 121.76 122.27 3kr3 s ALA 146 Ca 0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 3kr3 s ALA 146 Cb -0.10 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 3kr3 s ALA 146 CO 0.03 0.60 0.09 -0.48 0.00 0.00 0.00 175.76 176.00 3kr3 s LEU 147 N -0.98 1.63 0.00 0.00 2.34 -0.54 -3.93 118.68 117.20 3kr3 s LEU 147 Ca 0.14 -1.15 -0.08 0.00 0.06 0.00 0.00 54.13 53.09 3kr3 s LEU 147 Cb -0.11 0.45 0.03 0.00 -0.56 0.00 0.00 46.19 46.00 3kr3 s LEU 147 CO 0.04 -0.76 0.47 0.61 -1.06 0.00 0.00 176.35 175.65 3kr3 n GLY 148 N -0.11 1.46 2.96 -3.48 0.00 0.17 -0.56 105.19 105.62 3kr3 n GLY 148 Ca -0.06 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 3kr3 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr3 s LEU 150 N 0.33 4.27 -0.31 0.00 2.96 0.12 -1.24 118.68 124.81 3kr3 s LEU 150 Ca -0.04 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 3kr3 s LEU 150 Cb -0.09 -2.33 0.08 0.00 0.50 0.00 0.00 46.19 44.35 3kr3 s LEU 150 CO 0.00 0.16 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.49 3kr3 s VAL 151 N 0.17 2.44 -0.02 1.68 1.01 0.17 -0.42 120.40 125.43 3kr3 s VAL 151 Ca 0.16 -1.89 0.07 0.00 0.00 0.00 0.00 61.98 60.32 3kr3 s VAL 151 Cb -0.13 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3kr3 s VAL 151 CO 0.04 -0.30 -0.24 -0.75 0.00 0.00 0.00 175.10 173.84 3kr3 s LYS 152 N 1.06 2.00 -0.47 2.72 2.20 0.58 -0.56 119.74 127.26 3kr3 s LYS 152 Ca 0.00 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.73 3kr3 s LYS 152 Cb -0.20 -1.91 -0.02 0.00 -1.51 0.00 0.00 37.83 34.19 3kr3 s LYS 152 CO -0.05 0.51 0.41 -0.25 -0.36 0.00 0.00 175.35 175.61 3kr3 n ASP 153 N 2.52 -3.42 -4.48 1.43 8.00 0.37 -0.71 116.55 120.26 3kr3 n ASP 153 Ca -0.16 -0.30 -0.23 0.00 0.71 0.00 0.00 54.79 54.81 3kr3 n ASP 153 Cb 0.52 -2.53 -0.10 0.00 -0.02 0.00 0.00 41.12 38.98 3kr3 n ASP 153 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3kr3 s TYR 154 N -3.16 2.15 -0.24 1.24 1.13 -0.85 -4.36 117.35 113.25 3kr3 s TYR 154 Ca 0.14 -0.61 -0.26 0.00 -1.41 0.00 0.00 57.07 54.93 3kr3 s TYR 154 Cb -0.02 -1.23 0.11 0.00 -1.10 0.00 0.00 41.96 39.73 3kr3 s TYR 154 CO 0.32 0.41 0.94 0.12 -2.51 0.00 0.00 175.55 174.83 3kr3 s PHE 155 N -2.84 -0.54 0.57 -3.49 5.36 0.02 -0.73 117.98 116.34 3kr3 s PHE 155 Ca 0.31 1.23 -0.07 0.00 -0.96 0.00 0.00 56.93 57.44 3kr3 s PHE 155 Cb 0.03 0.36 0.13 0.00 -0.34 0.00 0.00 43.02 43.20 3kr3 s PHE 155 CO 0.14 -0.30 0.78 -0.35 -1.46 0.00 0.00 175.22 174.02 3kr3 n PRO 156 N 1.99 -0.51 -0.94 10.12 -0.04 -1.26 -0.61 135.00 143.74 3kr3 n PRO 156 Ca -0.13 -1.45 -0.32 0.00 -0.04 0.00 0.00 63.50 61.57 3kr3 n PRO 156 Cb 0.56 -0.72 0.14 0.00 -0.04 0.00 0.00 33.50 33.44 3kr3 n PRO 156 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kr3 s GLU 157 N -4.61 1.42 0.46 0.54 0.41 -1.26 -4.81 118.70 110.85 3kr3 s GLU 157 Ca 0.46 1.59 0.08 0.00 -0.41 0.00 0.00 54.97 56.69 3kr3 s GLU 157 Cb -0.02 -1.77 0.01 0.00 -1.78 0.00 0.00 34.13 30.57 3kr3 s GLU 157 CO 0.32 -2.34 0.48 -1.25 -0.49 0.00 0.00 175.26 171.98 3kr3 s PRO 158 N -4.46 2.54 0.14 0.39 0.04 -1.26 -4.98 135.00 127.41 3kr3 s PRO 158 Ca 0.69 -1.54 0.08 0.00 0.04 0.00 0.00 61.00 60.27 3kr3 s PRO 158 Cb -0.24 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3kr3 s PRO 158 CO 0.54 -0.36 -0.12 0.14 0.04 0.00 0.00 177.00 177.25 3kr3 s VAL 159 N -2.51 3.16 -0.12 -0.36 -7.23 -1.26 -4.48 120.40 107.60 3kr3 s VAL 159 Ca 0.50 -1.49 -0.09 0.00 -1.81 0.00 0.00 61.98 59.08 3kr3 s VAL 159 Cb -0.05 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 3kr3 s VAL 159 CO 0.30 0.02 0.20 -0.89 -0.31 0.00 0.00 175.10 174.41 3kr3 s THR 160 N -1.40 5.40 -0.09 5.32 2.01 0.55 -4.93 115.64 122.50 3kr3 s THR 160 Ca 0.22 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.59 3kr3 s THR 160 Cb -0.10 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.94 3kr3 s THR 160 CO 0.13 0.56 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.77 3kr3 s VAL 161 N -0.68 1.53 0.15 3.82 1.01 -1.26 -0.69 120.40 124.28 3kr3 s VAL 161 Ca 0.15 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3kr3 s VAL 161 Cb -0.13 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3kr3 s VAL 161 CO 0.05 0.44 -0.11 -0.94 0.00 0.00 0.00 175.10 174.54 3kr3 s SER 162 N 0.64 1.88 -0.14 3.32 1.04 -0.25 -4.96 113.70 115.23 3kr3 s SER 162 Ca -0.14 -0.97 -0.02 0.00 0.48 0.00 0.00 55.95 55.30 3kr3 s SER 162 Cb -0.16 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 3kr3 s SER 162 CO 0.04 -0.28 -0.09 0.26 0.98 0.00 0.00 173.24 174.15 3kr3 s TRP 163 N -3.06 2.90 -1.29 5.02 0.52 -1.26 0.62 118.94 122.40 3kr3 s TRP 163 Ca 0.15 -0.46 -0.02 0.00 0.02 0.00 0.00 56.10 55.79 3kr3 s TRP 163 Cb 0.01 -1.88 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 3kr3 s TRP 163 CO 0.02 -0.11 0.91 0.09 0.02 0.00 0.00 176.95 177.88 3kr3 n ASN 164 N 3.45 -2.44 -1.41 2.95 3.02 0.56 -1.59 115.26 119.80 3kr3 n ASN 164 Ca -0.18 -0.70 -0.14 0.00 -0.03 0.00 0.00 54.58 53.54 3kr3 n ASN 164 Cb 0.53 -4.62 -0.06 0.00 -0.61 0.00 0.00 39.78 35.01 3kr3 n ASN 164 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kr3 n SER 165 N -3.07 -3.64 0.00 6.41 7.64 -1.26 -0.74 113.62 118.96 3kr3 n SER 165 Ca -0.23 0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3kr3 n SER 165 Cb 0.65 -3.38 0.00 0.00 -1.01 0.00 0.00 64.21 60.47 3kr3 n SER 165 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kr3 n GLY 166 N -0.26 0.30 0.26 0.23 0.00 -0.62 -4.95 105.19 100.15 3kr3 n GLY 166 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.99 3kr3 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr3 h ALA 167 N 0.00 1.48 -3.39 4.61 0.00 -0.87 -3.40 119.26 117.69 3kr3 h ALA 167 Ca 0.00 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 54.14 3kr3 h ALA 167 Cb 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 17.79 17.43 3kr3 h ALA 167 CO 0.00 0.13 -0.81 -1.17 0.00 0.00 0.00 179.25 177.41 3kr3 s LEU 168 N -7.81 2.88 0.00 0.00 2.96 -0.92 -4.97 118.68 110.83 3kr3 s LEU 168 Ca -0.04 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 3kr3 s LEU 168 Cb 0.14 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.28 3kr3 s LEU 168 CO 0.61 -0.10 0.00 0.35 -1.32 0.00 0.00 176.35 175.89 3kr3 n THR 169 N 4.57 0.00 -2.84 3.68 -2.24 -1.26 -4.09 114.28 112.10 3kr3 n THR 169 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 3kr3 n THR 169 Cb 0.46 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 3kr3 n THR 169 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kr3 s SER 170 N -3.37 7.38 0.00 3.42 1.04 -1.26 -2.81 113.70 118.10 3kr3 s SER 170 Ca 0.00 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.08 3kr3 s SER 170 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3kr3 s SER 170 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 3kr3 n GLY 171 N 2.29 0.87 3.71 7.32 0.00 -1.26 -4.79 105.19 113.32 3kr3 n GLY 171 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3kr3 n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kr3 s VAL 172 N -3.30 4.85 -0.34 1.61 1.01 -1.12 -2.19 120.40 120.91 3kr3 s VAL 172 Ca 0.00 2.05 0.01 0.00 0.00 0.00 0.00 61.98 64.04 3kr3 s VAL 172 Cb 0.00 -4.31 0.11 0.00 0.00 0.00 0.00 36.38 32.17 3kr3 s VAL 172 CO 0.00 0.13 0.11 -1.00 0.00 0.00 0.00 175.10 174.34 3kr3 s HIS 173 N 1.17 2.39 -0.32 5.22 3.76 0.12 -4.98 115.29 122.64 3kr3 s HIS 173 Ca 0.51 -2.24 -0.19 0.00 -0.15 0.00 0.00 55.06 52.99 3kr3 s HIS 173 Cb -0.21 -2.12 -0.01 0.00 1.11 0.00 0.00 32.58 31.35 3kr3 s HIS 173 CO 0.26 -0.88 0.58 0.99 -0.85 0.00 0.00 174.74 174.84 3kr3 s THR 174 N 1.19 4.97 0.44 1.30 2.01 -1.26 -1.43 115.64 122.86 3kr3 s THR 174 Ca 0.11 0.66 -0.22 0.00 0.31 0.00 0.00 61.69 62.56 3kr3 s THR 174 Cb -0.19 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 3kr3 s THR 174 CO -0.16 -0.16 1.02 -0.36 -0.69 0.00 0.00 174.62 174.26 3kr3 s PHE 175 N 2.52 3.17 0.75 4.92 0.08 0.00 -4.99 117.98 124.43 3kr3 s PHE 175 Ca 0.23 1.61 -0.15 0.00 0.12 0.00 0.00 56.93 58.74 3kr3 s PHE 175 Cb -0.15 -3.02 0.05 0.00 -0.57 0.00 0.00 43.02 39.32 3kr3 s PHE 175 CO 0.12 -0.56 1.22 -2.14 -0.10 0.00 0.00 175.22 173.76 3kr3 s PRO 176 N -2.98 1.98 0.35 0.24 0.02 -1.26 -4.61 135.00 128.74 3kr3 s PRO 176 Ca 0.63 1.81 -0.26 0.00 0.02 0.00 0.00 61.00 63.20 3kr3 s PRO 176 Cb -0.16 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 3kr3 s PRO 176 CO 0.20 -1.97 1.02 0.00 -0.33 0.00 0.00 177.00 175.93 3kr3 s ALA 177 N -1.95 3.19 -0.04 -1.55 0.00 -1.26 -4.82 121.76 115.33 3kr3 s ALA 177 Ca 0.75 0.67 0.03 0.00 0.00 0.00 0.00 51.96 53.41 3kr3 s ALA 177 Cb -0.30 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3kr3 s ALA 177 CO 0.47 -0.06 -0.11 0.14 0.00 0.00 0.00 175.76 176.20 3kr3 s VAL 178 N -1.54 3.37 -0.29 0.00 -7.23 -0.28 -4.93 120.40 109.50 3kr3 s VAL 178 Ca 0.52 -0.68 -0.28 0.00 -1.81 0.00 0.00 61.98 59.73 3kr3 s VAL 178 Cb -0.23 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.35 3kr3 s VAL 178 CO 0.29 0.54 1.01 -0.22 -0.31 0.00 0.00 175.10 176.41 3kr3 s LEU 179 N -0.94 4.00 0.72 1.32 2.96 -1.26 -2.13 118.68 123.36 3kr3 s LEU 179 Ca 0.13 1.06 -0.11 0.00 -0.22 0.00 0.00 54.13 54.99 3kr3 s LEU 179 Cb -0.11 -3.45 0.02 0.00 0.50 0.00 0.00 46.19 43.15 3kr3 s LEU 179 CO 0.02 -0.77 1.08 -1.10 -1.32 0.00 0.00 176.35 174.26 3kr3 s GLN 180 N 3.40 2.72 0.55 1.98 -0.21 -0.03 -4.93 119.66 123.14 3kr3 s GLN 180 Ca 0.43 0.68 0.31 0.00 0.02 0.00 0.00 55.36 56.79 3kr3 s GLN 180 Cb -0.13 -1.99 1.47 0.00 1.00 0.00 0.00 33.01 33.36 3kr3 s GLN 180 CO 0.12 -1.18 1.89 0.66 -2.12 0.00 0.00 175.29 174.66 3kr3 h SER 181 N -0.77 0.00 0.45 5.90 4.64 -1.96 -0.89 113.55 120.93 3kr3 h SER 181 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3kr3 h SER 181 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kr3 h SER 181 CO 0.60 0.00 -0.06 0.77 -0.87 0.00 0.00 176.83 177.28 3kr3 h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.46 113.55 117.69 3kr3 h SER 182 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3kr3 h SER 182 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3kr3 h SER 182 CO -0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3kr3 n GLY 183 N -0.59 0.62 3.91 -0.77 0.00 -0.34 -5.07 105.19 102.96 3kr3 n GLY 183 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3kr3 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kr3 s LEU 184 N 0.00 4.24 0.15 0.99 1.43 -1.26 -4.87 118.68 119.36 3kr3 s LEU 184 Ca 0.00 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 3kr3 s LEU 184 Cb 0.00 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 3kr3 s LEU 184 CO 0.00 0.00 0.36 -0.31 0.23 0.00 0.00 176.35 176.63 3kr3 s TYR 185 N -1.77 3.48 0.02 0.29 2.02 0.09 -0.85 117.35 120.63 3kr3 s TYR 185 Ca 0.40 0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 57.53 3kr3 s TYR 185 Cb -0.12 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 3kr3 s TYR 185 CO 0.27 0.44 -0.02 0.45 -1.57 0.00 0.00 175.55 175.12 3kr3 s SER 186 N -2.69 0.21 -0.03 2.29 0.15 -0.90 -0.48 113.70 112.25 3kr3 s SER 186 Ca 0.39 -0.45 -0.20 0.00 0.70 0.00 0.00 55.95 56.39 3kr3 s SER 186 Cb -0.12 0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.33 3kr3 s SER 186 CO 0.27 -0.29 0.43 -0.22 1.20 0.00 0.00 173.24 174.63 3kr3 s LEU 187 N -1.39 0.35 0.06 3.45 0.20 0.27 -1.12 118.68 120.50 3kr3 s LEU 187 Ca -0.15 0.33 0.04 0.00 0.69 0.00 0.00 54.13 55.04 3kr3 s LEU 187 Cb -0.09 1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 47.31 3kr3 s LEU 187 CO -0.01 -0.48 -0.02 -0.44 -0.29 0.00 0.00 176.35 175.11 3kr3 s SER 188 N -1.19 4.94 -0.14 3.68 0.01 -1.26 0.41 113.70 120.14 3kr3 s SER 188 Ca -0.12 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.01 3kr3 s SER 188 Cb -0.03 -1.18 0.01 0.00 0.21 0.00 0.00 66.02 65.02 3kr3 s SER 188 CO 0.06 0.22 -0.21 -0.55 0.41 0.00 0.00 173.24 173.16 3kr3 s SER 189 N -1.99 3.07 0.27 2.44 0.15 -0.37 -0.82 113.70 116.45 3kr3 s SER 189 Ca 0.23 -0.60 0.11 0.00 0.70 0.00 0.00 55.95 56.39 3kr3 s SER 189 Cb -0.12 -1.43 -0.05 0.00 -1.71 0.00 0.00 66.02 62.72 3kr3 s SER 189 CO 0.14 0.07 -0.14 0.68 1.20 0.00 0.00 173.24 175.19 3kr3 s VAL 190 N 0.88 2.79 -0.01 4.45 -7.23 -0.51 -1.43 120.40 119.34 3kr3 s VAL 190 Ca -0.06 -2.21 -0.00 0.00 -1.81 0.00 0.00 61.98 57.90 3kr3 s VAL 190 Cb -0.15 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3kr3 s VAL 190 CO -0.03 -0.36 0.02 0.54 -0.31 0.00 0.00 175.10 174.96 3kr3 s VAL 191 N -2.36 -0.01 -0.16 1.32 0.11 0.27 0.10 120.40 119.67 3kr3 s VAL 191 Ca 0.30 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.26 3kr3 s VAL 191 Cb -0.06 -0.04 -0.05 0.00 -1.53 0.00 0.00 36.38 34.71 3kr3 s VAL 191 CO 0.16 0.01 0.17 0.42 -3.33 0.00 0.00 175.10 172.53 3kr3 s THR 192 N 0.10 5.40 0.11 5.04 -4.23 -0.93 -1.47 115.64 119.67 3kr3 s THR 192 Ca -0.01 0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 3kr3 s THR 192 Cb -0.01 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 3kr3 s THR 192 CO -0.00 0.49 -0.05 0.68 -0.54 0.00 0.00 174.62 175.19 3kr3 s VAL 193 N -0.06 0.68 0.12 2.29 -7.23 -0.02 -4.71 120.40 111.47 3kr3 s VAL 193 Ca 0.12 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.04 3kr3 s VAL 193 Cb -0.12 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.99 3kr3 s VAL 193 CO 0.01 -0.80 1.35 -2.16 -0.31 0.00 0.00 175.10 173.19 3kr3 s PRO 194 N -3.85 4.35 0.55 4.82 0.04 -1.26 -0.25 135.00 139.39 3kr3 s PRO 194 Ca 0.14 2.03 0.37 0.00 0.04 0.00 0.00 61.00 63.58 3kr3 s PRO 194 Cb 0.05 -3.26 1.55 0.00 0.04 0.00 0.00 34.50 32.89 3kr3 s PRO 194 CO -0.03 -0.39 1.78 0.77 0.04 0.00 0.00 177.00 179.17 3kr3 h SER 195 N 6.62 0.00 0.61 6.66 0.02 -1.86 -2.67 113.55 122.93 3kr3 h SER 195 Ca -0.42 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 3kr3 h SER 195 Cb 1.21 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.76 3kr3 h SER 195 CO 0.85 0.00 -0.29 0.77 -1.14 0.00 0.00 176.83 177.01 3kr3 h SER 196 N 0.00 -0.70 -2.41 3.07 4.64 -1.91 -3.31 113.55 112.94 3kr3 h SER 196 Ca 0.57 0.01 -0.73 0.00 -0.47 0.00 0.00 61.79 61.17 3kr3 h SER 196 Cb 2.34 0.18 -0.19 0.00 -0.31 0.00 0.00 62.40 64.42 3kr3 h SER 196 CO -0.01 -0.47 1.06 -0.44 -0.87 0.00 0.00 176.83 176.11 3kr3 s SER 197 N -4.50 6.93 0.00 4.97 0.01 -1.01 -4.39 113.70 115.71 3kr3 s SER 197 Ca -0.17 -2.70 0.00 0.00 1.31 0.00 0.00 55.95 54.39 3kr3 s SER 197 Cb 0.03 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.88 3kr3 s SER 197 CO 0.60 -0.81 0.64 -0.11 0.41 0.00 0.00 173.24 173.97 3kr3 n LEU 198 N 5.68 0.00 0.00 2.44 7.94 -1.25 -4.56 117.00 127.26 3kr3 n LEU 198 Ca 0.31 -0.92 0.00 0.00 -1.11 0.00 0.00 56.01 54.29 3kr3 n LEU 198 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 3kr3 n LEU 198 CO 0.56 0.65 0.00 0.61 -1.11 0.00 0.00 177.39 178.10 3kr3 n GLY 199 N 0.00 0.05 0.16 -3.96 0.00 -1.26 -4.72 105.19 95.45 3kr3 n GLY 199 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3kr3 n GLY 199 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kr3 h THR 200 N 0.00 1.36 -3.78 2.61 2.02 -1.85 -3.47 112.91 109.80 3kr3 h THR 200 Ca 0.00 -1.58 -0.50 0.00 0.77 0.00 0.00 66.41 65.10 3kr3 h THR 200 Cb 0.00 2.02 -0.21 0.00 -1.74 0.00 0.00 68.15 68.22 3kr3 h THR 200 CO 0.00 0.47 -0.80 -1.58 0.37 0.00 0.00 175.52 173.98 3kr3 s GLN 201 N -3.98 1.07 0.18 6.66 0.74 -1.26 -5.11 119.66 117.95 3kr3 s GLN 201 Ca -0.13 -1.17 -0.25 0.00 0.05 0.00 0.00 55.36 53.86 3kr3 s GLN 201 Cb 0.06 -1.19 -0.08 0.00 1.10 0.00 0.00 33.01 32.90 3kr3 s GLN 201 CO 0.79 0.26 0.78 0.99 -0.55 0.00 0.00 175.29 177.57 3kr3 s THR 202 N -1.47 4.37 -0.17 -0.34 2.01 -1.26 -4.63 115.64 114.15 3kr3 s THR 202 Ca 0.06 1.69 0.00 0.00 0.31 0.00 0.00 61.69 63.75 3kr3 s THR 202 Cb -0.09 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.31 3kr3 s THR 202 CO 0.04 0.48 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.98 3kr3 s TYR 203 N -1.20 2.79 -0.08 4.92 2.02 -1.26 -4.98 117.35 119.57 3kr3 s TYR 203 Ca 0.37 -1.26 -0.01 0.00 -0.37 0.00 0.00 57.07 55.80 3kr3 s TYR 203 Cb -0.23 -1.92 0.03 0.00 -0.40 0.00 0.00 41.96 39.44 3kr3 s TYR 203 CO 0.26 -0.61 -0.02 0.42 -1.57 0.00 0.00 175.55 174.03 3kr3 s ILE 204 N 1.07 0.50 -0.09 2.71 1.01 -1.26 -0.00 121.20 125.13 3kr3 s ILE 204 Ca -0.00 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 3kr3 s ILE 204 Cb -0.14 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 3kr3 s ILE 204 CO -0.05 0.27 0.38 0.00 0.00 0.00 0.00 174.94 175.55 3kr3 s ASN 206 N -0.05 5.09 -0.25 0.00 -0.87 0.20 -1.22 114.94 117.84 3kr3 s ASN 206 Ca 0.22 -0.82 -0.06 0.00 -1.57 0.00 0.00 52.86 50.63 3kr3 s ASN 206 Cb -0.15 -1.86 -0.01 0.00 -0.02 0.00 0.00 41.25 39.22 3kr3 s ASN 206 CO 0.09 -0.21 0.02 -0.69 -2.57 0.00 0.00 177.10 173.74 3kr3 s VAL 207 N 1.46 3.81 -0.19 1.60 1.01 0.74 -1.10 120.40 127.73 3kr3 s VAL 207 Ca 0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 3kr3 s VAL 207 Cb -0.18 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 3kr3 s VAL 207 CO 0.02 0.30 -0.08 0.21 0.00 0.00 0.00 175.10 175.54 3kr3 s ASN 208 N 1.52 4.10 -0.29 3.32 3.84 0.13 -1.06 114.94 126.51 3kr3 s ASN 208 Ca 0.05 -0.40 0.03 0.00 0.21 0.00 0.00 52.86 52.74 3kr3 s ASN 208 Cb -0.15 -1.68 0.08 0.00 -0.55 0.00 0.00 41.25 38.94 3kr3 s ASN 208 CO 0.00 0.03 -0.02 -2.28 -2.79 0.00 0.00 177.10 172.04 3kr3 s HIS 209 N 1.16 3.13 0.01 0.43 5.65 -0.35 -0.33 115.29 124.98 3kr3 s HIS 209 Ca 0.02 -2.40 -0.16 0.00 0.25 0.00 0.00 55.06 52.77 3kr3 s HIS 209 Cb -0.14 -2.19 -0.35 0.00 -1.18 0.00 0.00 32.58 28.72 3kr3 s HIS 209 CO -0.02 -0.88 0.93 0.87 -0.65 0.00 0.00 174.74 174.99 3kr3 h LYS 210 N 7.78 0.50 0.00 2.88 1.57 -1.80 -1.20 116.57 126.30 3kr3 h LYS 210 Ca -0.13 -0.85 0.00 0.00 -1.87 0.00 0.00 60.65 57.80 3kr3 h LYS 210 Cb 1.04 0.32 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3kr3 h LYS 210 CO 0.47 1.41 0.39 -2.30 -0.57 0.00 0.00 179.45 178.85 3kr3 n PRO 211 N -3.75 0.07 0.00 3.15 -0.02 -1.26 -1.42 135.00 131.78 3kr3 n PRO 211 Ca -0.18 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3kr3 n PRO 211 Cb 1.07 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3kr3 n PRO 211 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kr3 n SER 212 N -1.93 0.62 -1.98 2.55 3.41 -1.21 -4.87 113.62 110.21 3kr3 n SER 212 Ca -0.01 -1.20 -0.21 0.00 -0.26 0.00 0.00 58.87 57.19 3kr3 n SER 212 Cb 0.41 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 3kr3 n SER 212 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kr3 n ASN 213 N -0.10 -5.70 -4.73 4.04 4.13 -0.50 -4.85 115.26 107.54 3kr3 n ASN 213 Ca 0.00 0.27 -0.41 0.00 1.68 0.00 0.00 54.58 56.12 3kr3 n ASN 213 Cb 0.27 -4.90 -0.04 0.00 -1.54 0.00 0.00 39.78 33.57 3kr3 n ASN 213 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3kr3 s THR 214 N -2.90 4.66 -0.08 3.41 2.01 -0.52 -4.97 115.64 117.25 3kr3 s THR 214 Ca 0.00 1.96 -0.02 0.00 0.31 0.00 0.00 61.69 63.94 3kr3 s THR 214 Cb 0.00 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.27 3kr3 s THR 214 CO 0.00 0.28 0.05 -0.75 -0.69 0.00 0.00 174.62 173.51 3kr3 s LYS 215 N 0.28 0.15 -0.06 4.92 2.20 -1.26 -1.22 119.74 124.74 3kr3 s LYS 215 Ca 0.46 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 56.29 3kr3 s LYS 215 Cb -0.22 -0.94 0.01 0.00 -1.51 0.00 0.00 37.83 35.17 3kr3 s LYS 215 CO 0.28 -0.40 -0.13 0.08 -0.36 0.00 0.00 175.35 174.81 3kr3 s VAL 216 N 2.10 1.20 -0.22 4.02 1.01 -0.22 -4.99 120.40 123.29 3kr3 s VAL 216 Ca 0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 3kr3 s VAL 216 Cb -0.13 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3kr3 s VAL 216 CO -0.05 0.37 0.10 -1.81 0.00 0.00 0.00 175.10 173.71 3kr3 s ASP 217 N 0.59 5.65 -0.18 3.32 1.01 -1.26 -0.18 116.67 125.62 3kr3 s ASP 217 Ca -0.14 -0.00 -0.02 0.00 0.71 0.00 0.00 52.55 53.10 3kr3 s ASP 217 Cb -0.15 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 3kr3 s ASP 217 CO 0.04 0.07 -0.09 -0.75 0.21 0.00 0.00 175.17 174.64 3kr3 s LYS 218 N 1.03 3.37 -0.22 8.23 2.47 -0.36 -4.96 119.74 129.30 3kr3 s LYS 218 Ca 0.05 -0.66 -0.27 0.00 -1.56 0.00 0.00 55.97 53.54 3kr3 s LYS 218 Cb -0.14 -2.82 0.00 0.00 -1.46 0.00 0.00 37.83 33.42 3kr3 s LYS 218 CO 0.04 -0.00 0.93 0.21 0.16 0.00 0.00 175.35 176.68 3kr3 s LYS 219 N 0.93 4.24 -0.45 4.03 2.20 -1.26 -1.31 119.74 128.11 3kr3 s LYS 219 Ca -0.02 1.15 -0.10 0.00 -0.36 0.00 0.00 55.97 56.65 3kr3 s LYS 219 Cb -0.15 -3.63 0.10 0.00 -1.51 0.00 0.00 37.83 32.64 3kr3 s LYS 219 CO -0.00 -0.54 0.31 0.08 -0.36 0.00 0.00 175.35 174.84 3kr3 s VAL 220 N 2.90 4.30 0.16 4.02 1.01 0.99 -4.93 120.40 128.85 3kr3 s VAL 220 Ca 0.40 -1.56 0.09 0.00 0.00 0.00 0.00 61.98 60.91 3kr3 s VAL 220 Cb -0.15 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3kr3 s VAL 220 CO 0.08 -0.64 -0.16 -1.83 0.00 0.00 0.00 175.10 172.55 3kr3 s GLU 221 N 1.41 1.85 0.69 2.72 -1.05 -1.26 -4.13 118.70 118.93 3kr3 s GLU 221 Ca 0.04 -1.29 -0.17 0.00 -0.15 0.00 0.00 54.97 53.41 3kr3 s GLU 221 Cb -0.25 -2.08 -0.04 0.00 -0.44 0.00 0.00 34.13 31.32 3kr3 s GLU 221 CO 0.01 0.44 0.59 -0.35 0.95 0.00 0.00 175.26 176.91 3kr3 n PRO 222 N 0.37 0.38 0.00 -4.83 -0.04 -1.26 -4.60 135.00 125.01 3kr3 n PRO 222 Ca -0.13 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3kr3 n PRO 222 Cb 0.54 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3kr3 n PRO 222 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09