#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr3 s ASP 2 N 0.00 6.52 -0.03 1.69 1.01 -1.26 -4.96 116.67 119.64 3kr3 s ASP 2 Ca 0.00 2.86 -0.30 0.00 0.71 0.00 0.00 52.55 55.82 3kr3 s ASP 2 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3kr3 s ASP 2 CO 0.00 -0.77 1.22 -0.63 0.21 0.00 0.00 175.17 175.20 3kr3 s ILE 3 N -0.60 4.18 -0.09 0.77 1.01 -1.26 -5.03 121.20 120.17 3kr3 s ILE 3 Ca 0.56 1.52 -0.07 0.00 0.00 0.00 0.00 60.65 62.66 3kr3 s ILE 3 Cb -0.44 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 3kr3 s ILE 3 CO 0.53 0.02 0.18 -1.10 0.00 0.00 0.00 174.94 174.56 3kr3 s GLN 4 N 2.05 3.49 -0.07 2.79 -0.21 -1.26 -4.75 119.66 121.70 3kr3 s GLN 4 Ca 0.57 -0.09 0.03 0.00 0.02 0.00 0.00 55.36 55.89 3kr3 s GLN 4 Cb -0.26 -3.18 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 3kr3 s GLN 4 CO 0.23 0.76 -0.16 -1.64 -2.12 0.00 0.00 175.29 172.36 3kr3 s MET 5 N -1.16 2.72 -0.05 2.91 -1.94 -1.26 -1.78 119.30 118.75 3kr3 s MET 5 Ca 0.18 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 3kr3 s MET 5 Cb -0.13 -2.40 0.02 0.00 2.01 0.00 0.00 34.83 34.33 3kr3 s MET 5 CO 0.07 0.48 -0.06 0.99 -0.01 0.00 0.00 175.02 176.49 3kr3 s THR 6 N -0.37 0.64 0.16 2.05 2.01 0.00 -4.61 115.64 115.52 3kr3 s THR 6 Ca 0.03 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 61.94 3kr3 s THR 6 Cb -0.12 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 3kr3 s THR 6 CO 0.02 0.25 -0.09 -1.10 -0.69 0.00 0.00 174.62 173.01 3kr3 s GLN 7 N 0.90 2.09 -0.06 4.92 -0.21 -1.26 0.12 119.66 126.17 3kr3 s GLN 7 Ca -0.11 -1.19 -0.06 0.00 0.02 0.00 0.00 55.36 54.02 3kr3 s GLN 7 Cb -0.14 -2.21 0.02 0.00 1.00 0.00 0.00 33.01 31.67 3kr3 s GLN 7 CO 0.00 0.46 0.16 -1.54 -2.12 0.00 0.00 175.29 172.25 3kr3 s SER 8 N -2.65 -0.17 0.79 5.90 1.04 -0.34 -4.48 113.70 113.80 3kr3 s SER 8 Ca 0.24 0.33 -0.09 0.00 0.48 0.00 0.00 55.95 56.90 3kr3 s SER 8 Cb -0.09 0.33 0.11 0.00 0.10 0.00 0.00 66.02 66.46 3kr3 s SER 8 CO 0.15 -0.06 1.12 -2.16 0.98 0.00 0.00 173.24 173.27 3kr3 s PRO 9 N 0.09 1.72 0.45 4.02 0.04 -1.26 -1.44 135.00 138.62 3kr3 s PRO 9 Ca -0.00 -0.32 0.30 0.00 0.04 0.00 0.00 61.00 61.02 3kr3 s PRO 9 Cb -0.01 -2.07 1.20 0.00 0.04 0.00 0.00 34.50 33.65 3kr3 s PRO 9 CO 0.00 -1.61 1.88 0.66 0.04 0.00 0.00 177.00 177.97 3kr3 h SER 10 N -0.92 0.00 -4.88 6.66 4.64 -1.84 -3.43 113.55 113.78 3kr3 h SER 10 Ca -0.44 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.92 3kr3 h SER 10 Cb 1.29 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.26 3kr3 h SER 10 CO 0.54 0.00 0.32 -0.94 -0.87 0.00 0.00 176.83 175.88 3kr3 s SER 11 N -5.22 -0.47 0.15 4.97 1.04 -1.26 -0.93 113.70 111.98 3kr3 s SER 11 Ca 0.03 -0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.22 3kr3 s SER 11 Cb 0.09 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.78 3kr3 s SER 11 CO 0.50 -0.86 0.50 -1.48 0.98 0.00 0.00 173.24 172.89 3kr3 s LEU 12 N -2.67 -0.08 -0.05 2.42 0.05 -0.05 -4.92 118.68 113.38 3kr3 s LEU 12 Ca 0.03 -0.18 0.02 0.00 0.05 0.00 0.00 54.13 54.06 3kr3 s LEU 12 Cb -0.01 2.22 0.02 0.00 -2.05 0.00 0.00 46.19 46.37 3kr3 s LEU 12 CO -0.10 -0.92 -0.09 -0.55 -0.55 0.00 0.00 176.35 174.13 3kr3 s SER 13 N -2.78 1.43 0.07 1.48 0.15 -1.26 -0.20 113.70 112.60 3kr3 s SER 13 Ca 0.02 -0.23 -0.13 0.00 0.70 0.00 0.00 55.95 56.31 3kr3 s SER 13 Cb 0.00 -0.65 0.02 0.00 -1.71 0.00 0.00 66.02 63.68 3kr3 s SER 13 CO -0.12 0.01 0.30 0.00 1.20 0.00 0.00 173.24 174.63 3kr3 s ALA 14 N 0.69 -0.65 0.28 5.45 0.00 -0.49 -4.83 121.76 122.21 3kr3 s ALA 14 Ca -0.13 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 3kr3 s ALA 14 Cb -0.15 0.43 -0.07 0.00 0.00 0.00 0.00 23.12 23.33 3kr3 s ALA 14 CO 0.02 -0.48 0.62 -1.12 0.00 0.00 0.00 175.76 174.80 3kr3 s SER 15 N -2.38 6.62 0.29 0.00 0.01 -1.26 -0.42 113.70 116.55 3kr3 s SER 15 Ca -0.01 1.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.95 3kr3 s SER 15 Cb 0.01 -2.26 -0.13 0.00 0.21 0.00 0.00 66.02 63.85 3kr3 s SER 15 CO -0.07 -0.16 1.33 0.52 0.41 0.00 0.00 173.24 175.27 3kr3 n VAL 16 N -0.44 1.48 -0.41 3.43 0.31 -1.26 -1.38 118.33 120.05 3kr3 n VAL 16 Ca 0.01 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3kr3 n VAL 16 Cb 0.53 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 3kr3 n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kr3 n GLY 17 N 1.49 1.46 3.90 2.92 0.00 0.84 -4.87 105.19 110.94 3kr3 n GLY 17 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3kr3 n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kr3 s ASP 18 N -3.21 5.83 -0.22 1.61 1.11 -0.48 -4.19 116.67 117.12 3kr3 s ASP 18 Ca 0.00 0.98 -0.14 0.00 0.18 0.00 0.00 52.55 53.57 3kr3 s ASP 18 Cb 0.00 -2.02 -0.04 0.00 1.07 0.00 0.00 42.92 41.93 3kr3 s ASP 18 CO 0.00 -0.98 0.33 -0.60 1.18 0.00 0.00 175.17 175.10 3kr3 s ARG 19 N -5.05 4.13 -0.11 8.23 3.52 -1.26 0.06 118.95 128.47 3kr3 s ARG 19 Ca 0.54 0.05 -0.00 0.00 -0.13 0.00 0.00 55.73 56.18 3kr3 s ARG 19 Cb -0.11 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.71 3kr3 s ARG 19 CO 0.48 -0.04 -0.10 0.08 -0.81 0.00 0.00 175.30 174.92 3kr3 s VAL 20 N 1.32 3.40 -0.18 7.11 1.01 0.41 -4.97 120.40 128.49 3kr3 s VAL 20 Ca 0.15 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3kr3 s VAL 20 Cb -0.14 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3kr3 s VAL 20 CO 0.07 0.54 -0.12 -0.89 0.00 0.00 0.00 175.10 174.70 3kr3 s THR 21 N -0.02 1.67 -0.10 3.92 2.01 -1.26 -0.26 115.64 121.60 3kr3 s THR 21 Ca -0.02 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.10 3kr3 s THR 21 Cb -0.14 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 3kr3 s THR 21 CO 0.03 0.29 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.43 3kr3 s ILE 22 N 1.41 2.56 -0.08 1.82 1.01 0.19 -4.78 121.20 123.32 3kr3 s ILE 22 Ca 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 3kr3 s ILE 22 Cb -0.15 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3kr3 s ILE 22 CO -0.09 0.55 0.07 -0.89 0.00 0.00 0.00 174.94 174.57 3kr3 s THR 23 N 0.18 4.83 -0.03 2.92 2.01 -0.52 -0.12 115.64 124.91 3kr3 s THR 23 Ca -0.11 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 61.83 3kr3 s THR 23 Cb -0.16 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 3kr3 s THR 23 CO 0.06 0.57 -0.16 0.00 -0.69 0.00 0.00 174.62 174.40 3kr3 s ARG 25 N -0.07 1.28 0.02 0.00 0.52 0.12 -1.05 118.95 119.78 3kr3 s ARG 25 Ca -0.01 -1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 54.16 3kr3 s ARG 25 Cb -0.09 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.87 3kr3 s ARG 25 CO 0.01 0.36 0.14 0.00 0.02 0.00 0.00 175.30 175.83 3kr3 s ALA 26 N -0.95 3.80 -0.85 2.13 0.00 -1.26 -0.82 121.76 123.82 3kr3 s ALA 26 Ca 0.07 -0.85 0.26 0.00 0.00 0.00 0.00 51.96 51.44 3kr3 s ALA 26 Cb -0.09 -1.72 0.68 0.00 0.00 0.00 0.00 23.12 21.99 3kr3 s ALA 26 CO 0.03 0.75 1.57 -1.13 0.00 0.00 0.00 175.76 176.97 3kr3 n SER 27 N 0.80 0.50 -4.17 0.00 3.41 -0.73 -4.82 113.62 108.60 3kr3 n SER 27 Ca -0.10 0.18 -0.11 0.00 -0.26 0.00 0.00 58.87 58.57 3kr3 n SER 27 Cb 0.52 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 3kr3 n SER 27 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kr3 s GLN 28 N -3.07 1.20 -0.04 4.33 -0.21 -1.26 -4.98 119.66 115.62 3kr3 s GLN 28 Ca 0.10 -1.57 -0.30 0.00 0.02 0.00 0.00 55.36 53.61 3kr3 s GLN 28 Cb 0.16 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.41 3kr3 s GLN 28 CO 0.65 -0.40 1.35 0.45 -2.12 0.00 0.00 175.29 175.22 3kr3 s SER 29 N -3.13 6.90 -0.09 5.90 0.15 -1.26 -4.92 113.70 117.25 3kr3 s SER 29 Ca 0.35 1.99 0.12 0.00 0.70 0.00 0.00 55.95 59.12 3kr3 s SER 29 Cb 0.06 -2.56 0.28 0.00 -1.71 0.00 0.00 66.02 62.10 3kr3 s SER 29 CO 0.10 -0.70 1.20 2.30 1.20 0.00 0.00 173.24 177.34 3kr3 n ILE 30 N 4.79 1.63 -2.82 6.45 -5.35 -1.26 -5.05 119.36 117.75 3kr3 n ILE 30 Ca 0.13 -1.66 0.00 0.00 -0.27 0.00 0.00 62.75 60.95 3kr3 n ILE 30 Cb 0.44 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 3kr3 n ILE 30 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3kr3 n SER 31 N -0.67 0.00 -1.90 7.28 2.88 -1.26 -1.84 113.62 118.12 3kr3 n SER 31 Ca 0.13 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.70 3kr3 n SER 31 Cb 0.57 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.41 3kr3 n SER 31 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3kr3 n ASN 32 N 1.02 5.46 -4.19 -3.46 6.94 -1.26 -4.84 115.26 114.93 3kr3 n ASN 32 Ca 0.00 -3.02 -0.44 0.00 -0.02 0.00 0.00 54.58 51.10 3kr3 n ASN 32 Cb 0.00 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 36.72 3kr3 n ASN 32 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3kr3 n TYR 33 N 0.37 3.99 -4.06 -2.53 4.01 -0.76 -2.63 117.16 115.55 3kr3 n TYR 33 Ca 0.31 -3.20 -0.23 0.00 -0.16 0.00 0.00 57.90 54.63 3kr3 n TYR 33 Cb 1.25 -1.82 -0.17 0.00 -0.31 0.00 0.00 39.34 38.29 3kr3 n TYR 33 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3kr3 s LEU 34 N -0.46 1.14 0.22 7.72 2.96 -1.26 -0.13 118.68 128.87 3kr3 s LEU 34 Ca 0.37 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 3kr3 s LEU 34 Cb 0.00 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 3kr3 s LEU 34 CO 0.00 -0.09 0.13 0.20 -1.32 0.00 0.00 176.35 175.27 3kr3 s ASN 35 N 1.31 5.27 -0.05 3.68 0.01 0.07 -0.53 114.94 124.70 3kr3 s ASN 35 Ca -0.04 -0.30 0.04 0.00 -0.71 0.00 0.00 52.86 51.85 3kr3 s ASN 35 Cb -0.14 -1.27 -0.00 0.00 0.41 0.00 0.00 41.25 40.25 3kr3 s ASN 35 CO -0.02 0.01 -0.18 0.26 -1.51 0.00 0.00 177.10 175.65 3kr3 s TRP 36 N -2.03 1.82 0.07 2.20 0.52 0.11 -1.17 118.94 120.46 3kr3 s TRP 36 Ca 0.31 -0.54 0.08 0.00 0.02 0.00 0.00 56.10 55.98 3kr3 s TRP 36 Cb -0.08 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.99 3kr3 s TRP 36 CO 0.23 -0.18 -0.21 0.71 0.02 0.00 0.00 176.95 177.52 3kr3 s TYR 37 N 0.04 1.78 -0.18 -1.98 2.02 0.01 0.06 117.35 119.10 3kr3 s TYR 37 Ca -0.05 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 3kr3 s TYR 37 Cb -0.12 -1.02 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 3kr3 s TYR 37 CO 0.03 0.15 -0.06 -1.14 -1.57 0.00 0.00 175.55 172.96 3kr3 s GLN 38 N -1.55 3.47 -0.20 -0.62 0.74 0.20 -1.23 119.66 120.47 3kr3 s GLN 38 Ca 0.07 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.88 3kr3 s GLN 38 Cb -0.09 -2.91 0.04 0.00 1.10 0.00 0.00 33.01 31.15 3kr3 s GLN 38 CO 0.03 0.01 -0.10 -1.14 -0.55 0.00 0.00 175.29 173.54 3kr3 s GLN 39 N 0.94 2.04 0.38 1.67 0.74 0.21 -0.95 119.66 124.69 3kr3 s GLN 39 Ca -0.01 -0.88 -0.15 0.00 0.05 0.00 0.00 55.36 54.37 3kr3 s GLN 39 Cb -0.15 -2.46 -0.09 0.00 1.10 0.00 0.00 33.01 31.42 3kr3 s GLN 39 CO 0.01 -0.44 0.81 0.15 -0.55 0.00 0.00 175.29 175.26 3kr3 s LYS 40 N 1.37 4.00 0.22 1.67 1.02 -1.26 -0.86 119.74 125.90 3kr3 s LYS 40 Ca -0.02 0.74 -0.32 0.00 0.02 0.00 0.00 55.97 56.40 3kr3 s LYS 40 Cb -0.17 -2.34 -0.14 0.00 -0.52 0.00 0.00 37.83 34.66 3kr3 s LYS 40 CO -0.08 0.04 1.40 -2.30 -0.92 0.00 0.00 175.35 173.49 3kr3 n PRO 41 N -0.73 1.93 -1.84 -1.68 -0.02 -1.26 -1.27 135.00 130.14 3kr3 n PRO 41 Ca 0.04 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 62.06 3kr3 n PRO 41 Cb 0.54 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.31 0.62 3.46 -1.23 0.00 -1.26 -4.98 105.19 104.10 3kr3 n GLY 42 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.99 1.64 0.35 1.61 3.01 -0.39 -5.11 119.74 116.86 3kr3 s LYS 43 Ca 0.00 -1.77 -0.28 0.00 -1.01 0.00 0.00 55.97 52.92 3kr3 s LYS 43 Cb 0.00 -1.62 -0.10 0.00 -1.01 0.00 0.00 37.83 35.10 3kr3 s LYS 43 CO 0.00 0.26 1.26 0.00 0.51 0.00 0.00 175.35 177.38 3kr3 s ALA 44 N -2.63 3.38 0.86 5.17 0.00 -1.26 -4.70 121.76 122.58 3kr3 s ALA 44 Ca 0.29 1.16 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 3kr3 s ALA 44 Cb -0.03 -3.45 0.11 0.00 0.00 0.00 0.00 23.12 19.76 3kr3 s ALA 44 CO 0.14 -0.60 1.12 -2.14 0.00 0.00 0.00 175.76 174.28 3kr3 s PRO 45 N -1.93 1.50 -0.15 0.00 0.02 -1.26 -4.73 135.00 128.45 3kr3 s PRO 45 Ca 0.51 1.39 0.01 0.00 0.02 0.00 0.00 61.00 62.94 3kr3 s PRO 45 Cb -0.37 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3kr3 s PRO 45 CO 0.48 -2.24 -0.17 0.21 -0.33 0.00 0.00 177.00 174.95 3kr3 s LYS 46 N -4.75 2.57 0.07 5.54 2.20 -0.12 -4.93 119.74 120.31 3kr3 s LYS 46 Ca 0.64 -0.67 -0.31 0.00 -0.36 0.00 0.00 55.97 55.28 3kr3 s LYS 46 Cb -0.20 -2.23 -0.08 0.00 -1.51 0.00 0.00 37.83 33.81 3kr3 s LYS 46 CO 0.57 -0.16 1.56 -1.17 -0.36 0.00 0.00 175.35 175.79 3kr3 s LEU 47 N 1.24 4.35 -0.24 5.43 2.96 -1.26 -0.63 118.68 130.54 3kr3 s LEU 47 Ca 0.01 2.40 -0.07 0.00 -0.22 0.00 0.00 54.13 56.25 3kr3 s LEU 47 Cb -0.14 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 3kr3 s LEU 47 CO -0.08 -0.82 -0.27 0.18 -1.32 0.00 0.00 176.35 174.04 3kr3 n LEU 48 N 5.24 2.22 -3.75 -0.68 4.77 0.11 -4.75 117.00 120.16 3kr3 n LEU 48 Ca 0.15 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 3kr3 n LEU 48 Cb 0.41 -0.75 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 3kr3 n LEU 48 CO 0.61 0.66 -0.09 -0.63 -1.33 0.00 0.00 177.39 176.61 3kr3 s ILE 49 N -2.45 -0.02 0.20 -0.08 -1.09 -1.15 -0.16 121.20 116.45 3kr3 s ILE 49 Ca -0.33 0.07 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 3kr3 s ILE 49 Cb 0.11 -0.39 -0.05 0.00 -1.58 0.00 0.00 42.46 40.55 3kr3 s ILE 49 CO 0.47 0.03 -0.04 -0.72 -1.23 0.00 0.00 174.94 173.45 3kr3 s TYR 50 N 0.72 1.46 -1.58 3.97 1.13 -0.35 0.06 117.35 122.77 3kr3 s TYR 50 Ca -0.05 -0.87 -0.08 0.00 -1.41 0.00 0.00 57.07 54.66 3kr3 s TYR 50 Cb -0.06 -0.81 0.07 0.00 -1.10 0.00 0.00 41.96 40.06 3kr3 s TYR 50 CO -0.04 0.00 0.47 0.25 -2.51 0.00 0.00 175.55 173.72 3kr3 n THR 51 N -0.34 -1.70 0.00 -3.49 -2.24 -1.15 -1.22 114.28 104.13 3kr3 n THR 51 Ca -0.07 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3kr3 n THR 51 Cb 0.63 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 3kr3 n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kr3 n ALA 52 N -4.40 0.00 -0.79 6.98 0.00 0.31 -4.03 120.51 118.58 3kr3 n ALA 52 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3kr3 n ALA 52 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3kr3 n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kr3 n SER 53 N 1.57 0.28 -4.54 0.00 3.41 -1.22 -2.87 113.62 110.24 3kr3 n SER 53 Ca 0.00 -1.07 -0.43 0.00 -0.26 0.00 0.00 58.87 57.12 3kr3 n SER 53 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3kr3 n SER 53 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kr3 s THR 54 N -0.07 4.82 0.21 6.66 2.01 -0.36 -4.57 115.64 124.35 3kr3 s THR 54 Ca 0.00 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 3kr3 s THR 54 Cb 0.00 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 3kr3 s THR 54 CO 0.00 -0.51 1.32 -0.22 -0.69 0.00 0.00 174.62 174.52 3kr3 s LEU 55 N 2.86 4.42 0.45 4.42 2.96 -1.26 -1.21 118.68 131.31 3kr3 s LEU 55 Ca 0.24 2.44 -0.21 0.00 -0.22 0.00 0.00 54.13 56.38 3kr3 s LEU 55 Cb -0.14 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.84 3kr3 s LEU 55 CO 0.18 -0.54 0.98 -1.58 -1.32 0.00 0.00 176.35 174.07 3kr3 s GLN 56 N -0.24 4.10 0.58 1.98 2.00 0.77 -4.91 119.66 123.93 3kr3 s GLN 56 Ca 0.56 1.21 -0.20 0.00 -2.00 0.00 0.00 55.36 54.93 3kr3 s GLN 56 Cb -0.37 -2.17 -0.04 0.00 0.80 0.00 0.00 33.01 31.23 3kr3 s GLN 56 CO 0.39 -0.16 1.30 -1.54 -0.50 0.00 0.00 175.29 174.79 3kr3 s SER 57 N -2.09 5.13 0.00 6.67 1.04 -1.26 -2.86 113.70 120.33 3kr3 s SER 57 Ca 0.63 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.70 3kr3 s SER 57 Cb -0.12 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3kr3 s SER 57 CO 0.16 -1.65 0.00 0.61 0.98 0.00 0.00 173.24 173.34 3kr3 n GLY 58 N 0.72 1.03 3.71 7.32 0.00 -1.26 -5.02 105.19 111.69 3kr3 n GLY 58 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3kr3 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kr3 s VAL 59 N -3.74 5.31 0.45 1.61 1.01 -1.14 -5.06 120.40 118.85 3kr3 s VAL 59 Ca 0.00 0.50 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 3kr3 s VAL 59 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 3kr3 s VAL 59 CO 0.00 0.37 1.33 -2.65 0.00 0.00 0.00 175.10 174.15 3kr3 n PRO 60 N 3.76 2.00 0.08 2.72 -0.02 -1.26 -4.87 135.00 137.41 3kr3 n PRO 60 Ca -0.12 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.13 3kr3 n PRO 60 Cb 0.52 -2.49 0.29 0.00 -0.02 0.00 0.00 33.50 31.80 3kr3 n PRO 60 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kr3 n SER 61 N -0.09 0.27 0.22 2.55 3.41 -1.26 -2.25 113.62 116.48 3kr3 n SER 61 Ca 0.07 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.40 3kr3 n SER 61 Cb 0.41 -0.66 0.46 0.00 -0.26 0.00 0.00 64.21 64.16 3kr3 n SER 61 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3kr3 h ARG 62 N 0.00 0.00 -6.08 4.33 0.11 -1.89 -3.41 114.38 107.43 3kr3 h ARG 62 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 3kr3 h ARG 62 Cb 0.03 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.05 3kr3 h ARG 62 CO 0.00 0.23 0.46 -0.06 0.10 0.00 0.00 179.97 180.69 3kr3 s PHE 63 N -3.66 3.46 0.05 4.08 0.08 -0.95 -0.89 117.98 120.15 3kr3 s PHE 63 Ca 0.00 1.40 -0.00 0.00 0.12 0.00 0.00 56.93 58.45 3kr3 s PHE 63 Cb 0.10 -3.08 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 3kr3 s PHE 63 CO 0.64 -0.22 -0.04 -1.54 -0.10 0.00 0.00 175.22 173.95 3kr3 s SER 64 N 1.11 0.58 0.11 1.36 1.04 -0.13 -4.96 113.70 112.81 3kr3 s SER 64 Ca 0.42 -0.87 0.09 0.00 0.48 0.00 0.00 55.95 56.07 3kr3 s SER 64 Cb -0.17 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 3kr3 s SER 64 CO 0.15 -0.49 -0.22 -0.83 0.98 0.00 0.00 173.24 172.83 3kr3 s GLY 65 N -2.56 1.30 -0.02 7.32 0.00 -1.26 0.16 107.32 112.26 3kr3 s GLY 65 Ca 0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 44.72 43.43 3kr3 s GLY 65 CO -0.07 -1.29 0.06 -0.45 0.00 0.00 0.00 173.10 171.36 3kr3 s SER 66 N -1.94 -0.05 0.38 1.64 0.15 0.11 -4.17 113.70 109.82 3kr3 s SER 66 Ca 0.08 0.10 -0.26 0.00 0.70 0.00 0.00 55.95 56.56 3kr3 s SER 66 Cb -0.10 0.13 -0.09 0.00 -1.71 0.00 0.00 66.02 64.25 3kr3 s SER 66 CO 0.05 -0.04 1.22 0.00 1.20 0.00 0.00 173.24 175.67 3kr3 s ALA 67 N -0.05 3.24 -0.41 5.45 0.00 -1.26 0.42 121.76 129.15 3kr3 s ALA 67 Ca -0.01 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.10 3kr3 s ALA 67 Cb -0.01 -3.42 0.25 0.00 0.00 0.00 0.00 23.12 19.94 3kr3 s ALA 67 CO 0.00 -0.60 0.61 0.45 0.00 0.00 0.00 175.76 176.22 3kr3 n SER 68 N 0.26 -0.50 0.00 0.00 2.88 0.24 -4.88 113.62 111.62 3kr3 n SER 68 Ca 0.03 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 3kr3 n SER 68 Cb 0.45 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 3kr3 n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kr3 n GLY 69 N 1.43 1.80 2.72 0.46 0.00 -1.26 -3.20 105.19 107.15 3kr3 n GLY 69 Ca 0.18 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 3kr3 n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr3 n THR 70 N 0.00 5.32 -3.66 2.61 -2.24 -1.26 -4.88 114.28 110.17 3kr3 n THR 70 Ca 0.00 -5.50 -0.10 0.00 -2.27 0.00 0.00 64.05 56.18 3kr3 n THR 70 Cb 0.00 -1.46 -0.03 0.00 -2.10 0.00 0.00 70.33 66.74 3kr3 n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kr3 s ASP 71 N -1.34 -0.33 0.01 3.42 1.11 -1.19 -4.76 116.67 113.58 3kr3 s ASP 71 Ca 0.43 -0.36 -0.00 0.00 0.18 0.00 0.00 52.55 52.79 3kr3 s ASP 71 Cb 0.26 0.59 -0.01 0.00 1.07 0.00 0.00 42.92 44.83 3kr3 s ASP 71 CO -0.21 -1.04 -0.01 -0.36 1.18 0.00 0.00 175.17 174.73 3kr3 s PHE 72 N -3.84 0.13 -0.01 4.23 0.08 -0.22 -0.59 117.98 117.75 3kr3 s PHE 72 Ca 0.07 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 56.89 3kr3 s PHE 72 Cb -0.01 -0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 42.34 3kr3 s PHE 72 CO -0.05 -0.11 -0.11 0.95 -0.10 0.00 0.00 175.22 175.80 3kr3 s THR 73 N -0.77 0.86 -0.15 0.64 -4.23 0.17 0.07 115.64 112.22 3kr3 s THR 73 Ca -0.08 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 59.91 3kr3 s THR 73 Cb -0.05 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 3kr3 s THR 73 CO -0.00 0.25 0.09 -0.22 -0.54 0.00 0.00 174.62 174.19 3kr3 s LEU 74 N -0.14 4.03 -0.13 4.79 2.96 0.82 0.04 118.68 131.05 3kr3 s LEU 74 Ca 0.02 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 3kr3 s LEU 74 Cb -0.05 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 3kr3 s LEU 74 CO -0.00 0.28 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.24 3kr3 s THR 75 N -0.29 2.50 -0.40 3.68 2.01 0.12 -0.64 115.64 122.62 3kr3 s THR 75 Ca 0.09 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 3kr3 s THR 75 Cb -0.12 -2.02 0.07 0.00 0.01 0.00 0.00 72.50 70.45 3kr3 s THR 75 CO 0.01 0.53 0.23 -0.63 -0.69 0.00 0.00 174.62 174.08 3kr3 s ILE 76 N 0.57 4.11 -0.01 1.82 1.01 0.64 -0.95 121.20 128.39 3kr3 s ILE 76 Ca -0.11 -1.38 -0.28 0.00 0.00 0.00 0.00 60.65 58.88 3kr3 s ILE 76 Cb -0.16 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 3kr3 s ILE 76 CO 0.04 -0.46 0.89 0.20 0.00 0.00 0.00 174.94 175.61 3kr3 s ASN 77 N 1.97 7.26 -0.72 3.58 0.01 -0.07 -0.45 114.94 126.53 3kr3 s ASN 77 Ca 0.03 1.52 -0.03 0.00 -0.71 0.00 0.00 52.86 53.66 3kr3 s ASN 77 Cb -0.22 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 3kr3 s ASN 77 CO 0.02 -0.20 0.64 -0.24 -1.51 0.00 0.00 177.10 175.81 3kr3 n SER 78 N 3.77 -5.55 -4.58 -1.22 2.88 -0.74 -4.72 113.62 103.47 3kr3 n SER 78 Ca 0.03 -0.42 -0.51 0.00 -1.33 0.00 0.00 58.87 56.65 3kr3 n SER 78 Cb 0.51 -3.97 -0.05 0.00 -0.75 0.00 0.00 64.21 59.95 3kr3 n SER 78 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3kr3 n LEU 79 N -2.52 1.53 -4.70 2.46 7.94 0.11 -4.42 117.00 117.40 3kr3 n LEU 79 Ca -0.04 1.13 -0.23 0.00 -1.11 0.00 0.00 56.01 55.76 3kr3 n LEU 79 Cb 0.57 -1.20 -0.06 0.00 0.53 0.00 0.00 43.42 43.26 3kr3 n LEU 79 CO 0.42 -1.20 -0.26 -1.10 -1.11 0.00 0.00 177.39 174.14 3kr3 s GLN 80 N 0.04 2.42 0.45 1.96 -1.52 -1.26 -0.11 119.66 121.64 3kr3 s GLN 80 Ca 0.79 -1.41 0.13 0.00 -1.95 0.00 0.00 55.36 52.92 3kr3 s GLN 80 Cb -0.91 -2.23 1.02 0.00 -0.22 0.00 0.00 33.01 30.67 3kr3 s GLN 80 CO 0.50 0.28 2.03 -1.35 -0.25 0.00 0.00 175.29 176.50 3kr3 h PRO 81 N 1.71 0.10 0.00 2.91 0.11 -1.91 -1.42 132.00 133.51 3kr3 h PRO 81 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kr3 h PRO 81 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kr3 h PRO 81 CO 0.61 0.19 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 3kr3 n GLU 82 N -4.39 0.03 0.00 1.05 4.71 -0.98 -3.21 120.64 117.85 3kr3 n GLU 82 Ca -0.02 0.31 0.13 0.00 -0.01 0.00 0.00 57.16 57.57 3kr3 n GLU 82 Cb 0.19 -1.50 0.39 0.00 -1.01 0.00 0.00 31.44 29.50 3kr3 n GLU 82 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kr3 n ASP 83 N -1.45 0.96 -4.69 1.62 8.00 -0.53 -4.81 116.55 115.65 3kr3 n ASP 83 Ca 0.03 -0.83 -0.54 0.00 0.71 0.00 0.00 54.79 54.16 3kr3 n ASP 83 Cb 0.10 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 3kr3 n ASP 83 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3kr3 n PHE 84 N -0.72 2.10 -3.55 1.24 -0.00 -1.20 -4.85 117.46 110.49 3kr3 n PHE 84 Ca 0.12 0.37 0.04 0.00 -0.00 0.00 0.00 57.45 57.98 3kr3 n PHE 84 Cb 0.34 -2.51 0.00 0.00 -0.00 0.00 0.00 39.48 37.31 3kr3 n PHE 84 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kr3 s ALA 85 N 3.35 -2.53 -0.12 3.13 0.00 -1.13 -4.80 121.76 119.66 3kr3 s ALA 85 Ca 0.95 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 53.71 3kr3 s ALA 85 Cb -0.93 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3kr3 s ALA 85 CO 0.59 -1.06 0.43 0.99 0.00 0.00 0.00 175.76 176.71 3kr3 s THR 86 N -2.00 5.20 -0.23 0.00 2.01 -0.04 -0.59 115.64 120.00 3kr3 s THR 86 Ca 0.15 0.86 -0.05 0.00 0.31 0.00 0.00 61.69 62.95 3kr3 s THR 86 Cb 0.08 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 3kr3 s THR 86 CO -0.07 0.36 0.01 -0.31 -0.69 0.00 0.00 174.62 173.92 3kr3 s TYR 87 N 0.48 3.02 -0.03 4.92 1.51 0.92 0.65 117.35 128.83 3kr3 s TYR 87 Ca 0.24 -0.62 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 3kr3 s TYR 87 Cb -0.15 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 3kr3 s TYR 87 CO 0.09 -0.40 -0.24 -1.12 -1.11 0.00 0.00 175.55 172.77 3kr3 s SER 88 N 1.40 2.84 0.35 2.29 0.01 -0.36 -0.71 113.70 119.52 3kr3 s SER 88 Ca 0.05 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3kr3 s SER 88 Cb -0.15 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.61 3kr3 s SER 88 CO 0.01 0.28 0.55 0.00 0.41 0.00 0.00 173.24 174.48 3kr3 s GLN 90 N -4.32 0.26 0.23 0.00 0.74 -0.32 0.30 119.66 116.55 3kr3 s GLN 90 Ca 0.41 0.77 -0.30 0.00 0.05 0.00 0.00 55.36 56.29 3kr3 s GLN 90 Cb -0.10 0.03 -0.09 0.00 1.10 0.00 0.00 33.01 33.96 3kr3 s GLN 90 CO 0.36 -0.22 0.99 1.14 -0.55 0.00 0.00 175.29 177.00 3kr3 s GLN 91 N 1.96 4.78 -0.17 1.67 1.03 -0.27 -0.75 119.66 127.92 3kr3 s GLN 91 Ca -0.04 1.56 0.16 0.00 0.04 0.00 0.00 55.36 57.08 3kr3 s GLN 91 Cb -0.11 -3.27 0.37 0.00 0.03 0.00 0.00 33.01 30.03 3kr3 s GLN 91 CO -0.10 0.39 1.23 0.43 -2.54 0.00 0.00 175.29 174.70 3kr3 n SER 92 N 1.63 2.44 -0.03 12.60 7.64 0.81 -3.40 113.62 135.30 3kr3 n SER 92 Ca -0.01 -3.31 -0.17 0.00 1.01 0.00 0.00 58.87 56.39 3kr3 n SER 92 Cb 0.47 -0.48 -0.13 0.00 -1.01 0.00 0.00 64.21 63.05 3kr3 n SER 92 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3kr3 h TYR 93 N 0.55 0.19 -3.52 1.43 3.20 -1.83 -3.48 116.97 113.51 3kr3 h TYR 93 Ca 0.02 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.66 3kr3 h TYR 93 Cb 1.11 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.32 3kr3 h TYR 93 CO 0.31 1.21 0.01 0.54 -1.64 0.00 0.00 178.16 178.59 3kr3 s ASN 94 N -6.59 0.17 0.31 -2.11 4.22 -1.26 -5.07 114.94 104.61 3kr3 s ASN 94 Ca -0.19 -1.09 -0.29 0.00 -2.14 0.00 0.00 52.86 49.15 3kr3 s ASN 94 Cb -0.00 0.69 -0.12 0.00 1.28 0.00 0.00 41.25 43.10 3kr3 s ASN 94 CO 0.72 -1.35 1.45 -0.24 -2.04 0.00 0.00 177.10 175.64 3kr3 n SER 95 N -0.92 3.30 -2.14 3.54 2.88 -1.26 0.16 113.62 119.18 3kr3 n SER 95 Ca -0.03 1.18 -0.24 0.00 -1.33 0.00 0.00 58.87 58.45 3kr3 n SER 95 Cb 0.61 -1.53 0.13 0.00 -0.75 0.00 0.00 64.21 62.67 3kr3 n SER 95 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3kr3 n PRO 96 N 1.33 2.23 -3.85 -1.46 -0.04 -1.26 -4.77 135.00 127.18 3kr3 n PRO 96 Ca 0.07 -2.75 -0.25 0.00 -0.04 0.00 0.00 63.50 60.53 3kr3 n PRO 96 Cb 0.36 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 3kr3 n PRO 96 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3kr3 n TRP 97 N -0.87 -1.75 -1.96 0.54 8.01 0.12 -4.78 117.44 116.77 3kr3 n TRP 97 Ca 0.54 0.74 -0.42 0.00 -1.31 0.00 0.00 57.50 57.05 3kr3 n TRP 97 Cb 1.27 -3.90 -0.03 0.00 -2.01 0.00 0.00 31.31 26.64 3kr3 n TRP 97 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3kr3 s THR 98 N -3.83 2.80 0.05 -0.99 2.01 -1.22 -4.63 115.64 109.83 3kr3 s THR 98 Ca 0.05 0.51 -0.18 0.00 0.31 0.00 0.00 61.69 62.38 3kr3 s THR 98 Cb -0.02 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 3kr3 s THR 98 CO 0.86 0.03 0.53 -0.36 -0.69 0.00 0.00 174.62 174.99 3kr3 s PHE 99 N 1.54 3.78 0.97 4.92 0.40 -1.26 -1.11 117.98 127.21 3kr3 s PHE 99 Ca 0.70 1.19 -0.12 0.00 -0.60 0.00 0.00 56.93 58.11 3kr3 s PHE 99 Cb -0.42 -2.45 0.17 0.00 0.51 0.00 0.00 43.02 40.83 3kr3 s PHE 99 CO 0.31 0.59 1.09 0.20 0.70 0.00 0.00 175.22 178.11 3kr3 s GLY 100 N -1.04 1.58 0.20 4.36 0.00 0.15 -4.75 107.32 107.82 3kr3 s GLY 100 Ca 0.28 -0.28 0.26 0.00 0.00 0.00 0.00 44.72 44.98 3kr3 s GLY 100 CO 0.17 0.30 1.78 -1.06 0.00 0.00 0.00 173.10 174.29 3kr3 n GLN 101 N -4.10 0.24 0.00 2.90 1.13 -1.26 -4.64 117.38 111.65 3kr3 n GLN 101 Ca 0.06 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 3kr3 n GLN 101 Cb 0.57 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 29.13 3kr3 n GLN 101 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kr3 n GLY 102 N 1.25 2.56 2.95 1.08 0.00 -1.26 -5.00 105.19 106.78 3kr3 n GLY 102 Ca 0.05 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 3kr3 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr3 s THR 103 N -2.58 1.31 -0.25 2.61 2.01 0.11 -4.71 115.64 114.14 3kr3 s THR 103 Ca 0.00 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 3kr3 s THR 103 Cb 0.00 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 3kr3 s THR 103 CO 0.00 0.30 1.34 -0.54 -0.69 0.00 0.00 174.62 175.03 3kr3 s LYS 104 N 1.57 3.98 -0.38 4.92 -0.14 -0.10 -0.05 119.74 129.54 3kr3 s LYS 104 Ca 0.03 1.42 -0.14 0.00 -1.36 0.00 0.00 55.97 55.91 3kr3 s LYS 104 Cb -0.14 -3.87 0.01 0.00 -1.68 0.00 0.00 37.83 32.15 3kr3 s LYS 104 CO -0.09 -1.04 0.27 0.08 -0.76 0.00 0.00 175.35 173.82 3kr3 s VAL 105 N 4.26 5.21 -0.00 3.17 1.01 0.24 -0.88 120.40 133.41 3kr3 s VAL 105 Ca 0.58 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 3kr3 s VAL 105 Cb -0.19 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 3kr3 s VAL 105 CO 0.22 -0.20 0.30 -0.70 0.00 0.00 0.00 175.10 174.71 3kr3 s GLU 106 N 1.68 3.66 -0.32 2.72 2.12 0.72 -2.83 118.70 126.45 3kr3 s GLU 106 Ca 0.05 0.06 -0.22 0.00 0.36 0.00 0.00 54.97 55.22 3kr3 s GLU 106 Cb -0.18 -3.11 -0.00 0.00 0.26 0.00 0.00 34.13 31.09 3kr3 s GLU 106 CO 0.10 0.66 0.71 0.42 -0.54 0.00 0.00 175.26 176.61 3kr3 s ILE 107 N -1.23 4.85 -0.78 -3.70 -1.09 -1.26 -1.40 121.20 116.59 3kr3 s ILE 107 Ca 0.26 0.92 -0.24 0.00 -2.23 0.00 0.00 60.65 59.36 3kr3 s ILE 107 Cb -0.14 -4.10 0.06 0.00 -1.58 0.00 0.00 42.46 36.70 3kr3 s ILE 107 CO 0.14 -0.26 1.20 -0.75 -1.23 0.00 0.00 174.94 174.04 3kr3 s LYS 108 N 2.82 3.27 0.32 2.79 2.20 0.43 -4.86 119.74 126.71 3kr3 s LYS 108 Ca 0.28 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 55.23 3kr3 s LYS 108 Cb -0.14 -4.46 0.05 0.00 -1.51 0.00 0.00 37.83 31.77 3kr3 s LYS 108 CO 0.13 -2.02 0.42 2.89 -0.36 0.00 0.00 175.35 176.41 3kr3 n ARG 109 N 8.51 0.82 -2.15 4.03 1.85 -1.26 -4.28 116.66 124.18 3kr3 n ARG 109 Ca 0.08 -1.76 -0.32 0.00 -1.00 0.00 0.00 57.85 54.85 3kr3 n ARG 109 Cb 0.48 -0.09 -0.01 0.00 -1.05 0.00 0.00 32.46 31.79 3kr3 n ARG 109 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3kr3 s THR 110 N -1.08 4.62 0.24 8.89 -4.23 -1.26 -4.97 115.64 117.86 3kr3 s THR 110 Ca 0.32 1.05 -0.30 0.00 -1.18 0.00 0.00 61.69 61.57 3kr3 s THR 110 Cb -0.03 -3.79 -0.14 0.00 1.34 0.00 0.00 72.50 69.88 3kr3 s THR 110 CO 0.20 -0.91 1.13 0.52 -0.54 0.00 0.00 174.62 175.02 3kr3 n VAL 111 N -2.13 1.44 -3.76 2.29 0.31 -1.26 -4.73 118.33 110.49 3kr3 n VAL 111 Ca 0.06 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.90 3kr3 n VAL 111 Cb 0.54 -1.02 -0.14 0.00 -0.91 0.00 0.00 33.84 32.31 3kr3 n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kr3 s ALA 112 N -0.59 -0.36 0.30 3.52 0.00 0.38 -4.91 121.76 120.10 3kr3 s ALA 112 Ca 0.65 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 3kr3 s ALA 112 Cb -0.75 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 21.82 3kr3 s ALA 112 CO 0.56 -0.15 1.21 0.00 0.00 0.00 0.00 175.76 177.37 3kr3 s ALA 113 N 0.96 3.46 0.52 0.00 0.00 -1.26 -1.56 121.76 123.87 3kr3 s ALA 113 Ca -0.07 1.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.76 3kr3 s ALA 113 Cb -0.09 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 3kr3 s ALA 113 CO -0.05 -0.40 1.11 -1.25 0.00 0.00 0.00 175.76 175.16 3kr3 s PRO 114 N -1.49 3.52 -0.06 0.00 0.04 -1.26 -4.55 135.00 131.19 3kr3 s PRO 114 Ca 0.47 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 3kr3 s PRO 114 Cb -0.36 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 3kr3 s PRO 114 CO 0.46 -0.70 0.40 -1.12 0.04 0.00 0.00 177.00 176.08 3kr3 s SER 115 N -1.78 6.70 -0.08 6.66 0.01 -0.96 -4.88 113.70 119.37 3kr3 s SER 115 Ca 0.70 0.83 0.02 0.00 1.31 0.00 0.00 55.95 58.81 3kr3 s SER 115 Cb -0.22 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 3kr3 s SER 115 CO 0.26 0.21 -0.14 -0.69 0.41 0.00 0.00 173.24 173.28 3kr3 s VAL 116 N -0.38 3.02 0.01 3.43 1.01 -1.26 -0.08 120.40 126.15 3kr3 s VAL 116 Ca 0.23 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3kr3 s VAL 116 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3kr3 s VAL 116 CO 0.11 0.56 -0.02 -0.36 0.00 0.00 0.00 175.10 175.39 3kr3 s PHE 117 N -0.26 0.19 0.02 5.22 0.08 -0.56 -4.99 117.98 117.68 3kr3 s PHE 117 Ca 0.01 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.81 3kr3 s PHE 117 Cb -0.13 -0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.16 3kr3 s PHE 117 CO 0.03 -0.11 -0.22 -1.50 -0.10 0.00 0.00 175.22 173.32 3kr3 s ILE 118 N -0.91 1.73 -0.10 0.64 2.07 -1.26 -0.94 121.20 122.44 3kr3 s ILE 118 Ca -0.10 -1.10 0.00 0.00 -1.41 0.00 0.00 60.65 58.05 3kr3 s ILE 118 Cb -0.06 -1.47 0.02 0.00 0.13 0.00 0.00 42.46 41.07 3kr3 s ILE 118 CO -0.01 0.35 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.92 3kr3 s PHE 119 N -0.67 1.49 0.81 3.50 0.40 0.16 -4.99 117.98 118.69 3kr3 s PHE 119 Ca 0.08 -0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 55.59 3kr3 s PHE 119 Cb -0.09 -1.20 0.08 0.00 0.51 0.00 0.00 43.02 42.32 3kr3 s PHE 119 CO 0.01 -0.47 1.09 -1.25 0.70 0.00 0.00 175.22 175.30 3kr3 s PRO 120 N 1.47 1.95 0.42 0.24 0.04 -1.26 -1.40 135.00 136.47 3kr3 s PRO 120 Ca 0.01 0.72 -0.26 0.00 0.04 0.00 0.00 61.00 61.51 3kr3 s PRO 120 Cb -0.13 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3kr3 s PRO 120 CO -0.06 -1.73 1.35 -1.25 0.04 0.00 0.00 177.00 175.35 3kr3 s PRO 121 N -5.09 3.87 0.94 0.56 0.04 -1.16 -4.84 135.00 129.33 3kr3 s PRO 121 Ca 0.61 2.25 -0.12 0.00 0.04 0.00 0.00 61.00 63.78 3kr3 s PRO 121 Cb -0.15 -2.72 0.16 0.00 0.04 0.00 0.00 34.50 31.82 3kr3 s PRO 121 CO 0.55 -0.61 1.09 -1.54 0.04 0.00 0.00 177.00 176.53 3kr3 s SER 122 N -0.65 3.09 0.14 6.66 1.04 -1.26 -4.92 113.70 117.79 3kr3 s SER 122 Ca 0.58 1.35 -0.11 0.00 0.48 0.00 0.00 55.95 58.25 3kr3 s SER 122 Cb -0.40 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 63.64 3kr3 s SER 122 CO 0.52 -2.86 1.46 0.44 0.98 0.00 0.00 173.24 173.78 3kr3 h ASP 123 N -1.70 1.00 -0.06 7.02 5.19 -2.00 -2.61 116.42 123.27 3kr3 h ASP 123 Ca -0.52 -0.47 0.04 0.00 -0.62 0.00 0.00 57.03 55.46 3kr3 h ASP 123 Cb 1.30 -0.28 -0.06 0.00 0.18 0.00 0.00 39.33 40.47 3kr3 h ASP 123 CO 0.56 1.27 -0.34 -0.08 -3.12 0.00 0.00 179.24 177.53 3kr3 h GLU 124 N 0.75 -0.45 -0.84 3.56 4.81 -2.01 -1.29 114.58 119.12 3kr3 h GLU 124 Ca 0.06 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3kr3 h GLU 124 Cb 1.01 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 3kr3 h GLU 124 CO 0.10 -0.30 0.56 0.37 -0.73 0.00 0.00 179.01 179.01 3kr3 h GLN 125 N -0.46 1.02 -0.32 1.92 4.15 -1.88 -2.91 115.11 116.63 3kr3 h GLN 125 Ca 0.07 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3kr3 h GLN 125 Cb 0.58 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 3kr3 h GLN 125 CO -0.32 0.67 0.11 -0.07 -1.93 0.00 0.00 178.83 177.29 3kr3 h LEU 126 N 1.05 0.45 -0.91 -2.39 3.38 -1.00 -2.01 115.31 113.88 3kr3 h LEU 126 Ca 0.34 -0.19 0.37 0.00 0.09 0.00 0.00 57.88 58.48 3kr3 h LEU 126 Cb 0.03 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 40.51 3kr3 h LEU 126 CO -0.10 0.53 0.51 0.29 0.09 0.00 0.00 178.44 179.75 3kr3 n LYS 127 N -4.69 -0.05 -0.11 1.13 5.02 -0.55 -0.66 118.16 118.25 3kr3 n LYS 127 Ca -0.02 1.20 0.09 0.00 -2.02 0.00 0.00 58.31 57.56 3kr3 n LYS 127 Cb 0.16 -2.17 0.31 0.00 -0.02 0.00 0.00 35.03 33.30 3kr3 n LYS 127 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3kr3 n SER 128 N -4.92 1.75 0.00 4.39 3.41 -0.76 -4.94 113.62 112.55 3kr3 n SER 128 Ca 0.34 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 3kr3 n SER 128 Cb 1.16 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 3kr3 n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kr3 n GLY 129 N 1.11 0.70 3.13 5.00 0.00 0.17 -5.07 105.19 110.23 3kr3 n GLY 129 Ca 0.15 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 3kr3 n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr3 s THR 130 N -2.00 0.68 -0.09 2.61 2.01 -1.25 -2.48 115.64 115.13 3kr3 s THR 130 Ca 0.00 -1.54 -0.00 0.00 0.31 0.00 0.00 61.69 60.46 3kr3 s THR 130 Cb 0.00 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.34 3kr3 s THR 130 CO 0.00 -0.61 -0.05 0.00 -0.69 0.00 0.00 174.62 173.26 3kr3 s ALA 131 N -2.50 1.07 -0.16 7.40 0.00 1.00 -3.75 121.76 124.82 3kr3 s ALA 131 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3kr3 s ALA 131 Cb -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.32 3kr3 s ALA 131 CO -0.02 -0.33 -0.16 -1.12 0.00 0.00 0.00 175.76 174.13 3kr3 s SER 132 N 1.59 3.58 -0.14 0.00 0.01 -1.26 -0.62 113.70 116.86 3kr3 s SER 132 Ca 0.01 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.77 3kr3 s SER 132 Cb -0.13 -1.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 3kr3 s SER 132 CO -0.05 0.06 -0.14 0.54 0.41 0.00 0.00 173.24 174.06 3kr3 s VAL 133 N 0.95 2.88 -0.14 3.43 0.11 0.33 -2.97 120.40 124.99 3kr3 s VAL 133 Ca -0.03 -0.71 -0.02 0.00 -2.93 0.00 0.00 61.98 58.29 3kr3 s VAL 133 Cb -0.15 -2.21 -0.02 0.00 -1.53 0.00 0.00 36.38 32.47 3kr3 s VAL 133 CO -0.03 0.52 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.49 3kr3 s VAL 134 N 0.52 3.49 -0.17 2.04 1.01 -0.49 -0.35 120.40 126.43 3kr3 s VAL 134 Ca -0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3kr3 s VAL 134 Cb -0.16 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3kr3 s VAL 134 CO 0.04 0.52 -0.05 0.00 0.00 0.00 0.00 175.10 175.60 3kr3 s LEU 136 N 0.74 4.18 -0.34 0.00 2.96 -0.11 -0.49 118.68 125.62 3kr3 s LEU 136 Ca -0.02 0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 3kr3 s LEU 136 Cb -0.15 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.50 3kr3 s LEU 136 CO 0.02 0.19 0.12 -0.76 -1.32 0.00 0.00 176.35 174.60 3kr3 s LEU 137 N 0.29 4.36 -0.16 -0.68 1.02 0.03 -1.50 118.68 122.04 3kr3 s LEU 137 Ca 0.08 -1.07 -0.06 0.00 0.02 0.00 0.00 54.13 53.10 3kr3 s LEU 137 Cb -0.11 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3kr3 s LEU 137 CO -0.02 -0.33 0.03 0.21 0.02 0.00 0.00 176.35 176.27 3kr3 s ASN 138 N 1.44 5.37 -0.91 2.29 3.04 0.89 -0.32 114.94 126.75 3kr3 s ASN 138 Ca -0.01 0.04 -0.06 0.00 0.04 0.00 0.00 52.86 52.87 3kr3 s ASN 138 Cb -0.19 -1.86 -0.02 0.00 -1.54 0.00 0.00 41.25 37.64 3kr3 s ASN 138 CO 0.04 0.20 0.75 0.59 -3.04 0.00 0.00 177.10 175.64 3kr3 n ASN 139 N 3.34 -6.52 -4.55 -4.21 3.02 -0.89 -2.26 115.26 103.17 3kr3 n ASN 139 Ca -0.17 -0.56 -0.26 0.00 -0.03 0.00 0.00 54.58 53.55 3kr3 n ASN 139 Cb 0.52 -4.24 -0.11 0.00 -0.61 0.00 0.00 39.78 35.35 3kr3 n ASN 139 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3kr3 s PHE 140 N -3.18 2.41 -0.17 3.10 -0.12 0.93 -4.51 117.98 116.44 3kr3 s PHE 140 Ca 0.20 -0.55 -0.20 0.00 -0.05 0.00 0.00 56.93 56.33 3kr3 s PHE 140 Cb -0.05 -1.45 0.05 0.00 -0.63 0.00 0.00 43.02 40.94 3kr3 s PHE 140 CO 0.80 0.54 0.54 -0.47 -0.05 0.00 0.00 175.22 176.58 3kr3 s TYR 141 N -2.65 -0.57 1.00 3.49 6.14 -0.60 -0.42 117.35 123.73 3kr3 s TYR 141 Ca 0.33 1.31 -0.17 0.00 0.64 0.00 0.00 57.07 59.18 3kr3 s TYR 141 Cb 0.04 0.22 0.24 0.00 0.42 0.00 0.00 41.96 42.89 3kr3 s TYR 141 CO 0.17 -0.35 1.06 -0.35 0.64 0.00 0.00 175.55 176.72 3kr3 n PRO 142 N 2.36 -2.17 -0.36 4.97 -0.04 -1.26 -0.47 135.00 138.03 3kr3 n PRO 142 Ca -0.15 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 3kr3 n PRO 142 Cb 0.56 -1.35 0.15 0.00 -0.04 0.00 0.00 33.50 32.82 3kr3 n PRO 142 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3kr3 h ARG 143 N 0.00 1.22 -6.73 0.54 2.43 -1.98 -3.44 114.38 106.42 3kr3 h ARG 143 Ca -0.37 -0.07 -0.53 0.00 -0.81 0.00 0.00 59.98 58.20 3kr3 h ARG 143 Cb 1.09 -0.28 0.07 0.00 -0.42 0.00 0.00 29.97 30.43 3kr3 h ARG 143 CO 0.25 0.81 0.91 -1.21 -1.51 0.00 0.00 179.97 179.22 3kr3 s GLU 144 N -6.06 4.15 -0.25 0.20 8.01 -1.26 -5.00 118.70 118.49 3kr3 s GLU 144 Ca -0.13 2.53 -0.26 0.00 0.01 0.00 0.00 54.97 57.13 3kr3 s GLU 144 Cb 0.19 -3.06 0.10 0.00 -4.31 0.00 0.00 34.13 27.04 3kr3 s GLU 144 CO 0.81 -0.64 0.87 0.00 0.01 0.00 0.00 175.26 176.31 3kr3 s ALA 145 N 0.49 -1.87 -0.15 5.21 0.00 -1.26 -4.66 121.76 119.51 3kr3 s ALA 145 Ca 0.67 1.89 -0.01 0.00 0.00 0.00 0.00 51.96 54.52 3kr3 s ALA 145 Cb -0.47 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 3kr3 s ALA 145 CO 0.41 -0.29 -0.12 0.21 0.00 0.00 0.00 175.76 175.96 3kr3 s LYS 146 N 0.13 3.36 -0.16 0.00 2.20 0.09 -4.98 119.74 120.38 3kr3 s LYS 146 Ca 0.01 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 3kr3 s LYS 146 Cb -0.04 -2.69 0.05 0.00 -1.51 0.00 0.00 37.83 33.63 3kr3 s LYS 146 CO -0.02 0.12 -0.02 0.08 -0.36 0.00 0.00 175.35 175.16 3kr3 s VAL 147 N 0.58 0.83 -0.06 4.02 1.01 -1.26 -0.54 120.40 124.98 3kr3 s VAL 147 Ca -0.07 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3kr3 s VAL 147 Cb -0.15 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3kr3 s VAL 147 CO 0.03 0.04 -0.18 -1.10 0.00 0.00 0.00 175.10 173.89 3kr3 s GLN 148 N 1.75 2.65 -0.12 2.72 -0.21 0.78 -4.95 119.66 122.27 3kr3 s GLN 148 Ca 0.01 -0.77 -0.06 0.00 0.02 0.00 0.00 55.36 54.55 3kr3 s GLN 148 Cb -0.15 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 3kr3 s GLN 148 CO -0.07 0.47 0.11 -1.58 -2.12 0.00 0.00 175.29 172.10 3kr3 s TRP 149 N -0.36 3.50 -0.02 0.91 0.52 -1.26 -0.23 118.94 122.00 3kr3 s TRP 149 Ca 0.03 0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.63 3kr3 s TRP 149 Cb -0.12 -1.93 -0.00 0.00 -1.15 0.00 0.00 33.47 30.27 3kr3 s TRP 149 CO 0.02 0.66 -0.12 0.15 0.02 0.00 0.00 176.95 177.68 3kr3 s LYS 150 N -0.91 1.14 -0.20 4.98 -0.14 -0.16 0.07 119.74 124.53 3kr3 s LYS 150 Ca 0.14 -0.42 0.00 0.00 -1.36 0.00 0.00 55.97 54.33 3kr3 s LYS 150 Cb -0.12 -1.06 0.05 0.00 -1.68 0.00 0.00 37.83 35.02 3kr3 s LYS 150 CO 0.03 0.20 -0.07 0.08 -0.76 0.00 0.00 175.35 174.83 3kr3 s VAL 151 N -0.03 1.43 -1.62 3.17 1.01 0.26 -1.46 120.40 123.16 3kr3 s VAL 151 Ca -0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 3kr3 s VAL 151 Cb -0.08 -1.60 0.11 0.00 0.00 0.00 0.00 36.38 34.81 3kr3 s VAL 151 CO 0.00 0.07 0.68 0.47 0.00 0.00 0.00 175.10 176.32 3kr3 n ASP 152 N 4.74 -2.52 0.00 3.32 8.00 -0.01 -1.67 116.55 128.41 3kr3 n ASP 152 Ca -0.13 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3kr3 n ASP 152 Cb 0.46 -2.86 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 3kr3 n ASP 152 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kr3 n ASN 153 N -2.76 0.00 -4.72 -2.24 3.02 -1.26 -4.99 115.26 102.31 3kr3 n ASN 153 Ca -0.04 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.13 3kr3 n ASN 153 Cb 0.55 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 39.20 3kr3 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr3 s ALA 154 N -3.35 3.41 0.06 5.41 0.00 -0.67 -5.00 121.76 121.63 3kr3 s ALA 154 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 3kr3 s ALA 154 Cb 0.00 -2.79 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 3kr3 s ALA 154 CO 0.00 -0.05 1.39 -1.17 0.00 0.00 0.00 175.76 175.93 3kr3 s LEU 155 N 0.71 4.35 0.34 0.00 2.96 -1.26 -0.58 118.68 125.20 3kr3 s LEU 155 Ca 0.31 2.22 -0.18 0.00 -0.22 0.00 0.00 54.13 56.25 3kr3 s LEU 155 Cb -0.16 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 3kr3 s LEU 155 CO 0.14 -0.67 0.82 -1.10 -1.32 0.00 0.00 176.35 174.22 3kr3 s GLN 156 N 1.67 4.16 -0.11 1.98 -1.52 0.11 -4.94 119.66 121.01 3kr3 s GLN 156 Ca 0.64 0.90 -0.05 0.00 -1.95 0.00 0.00 55.36 54.90 3kr3 s GLN 156 Cb -0.34 -2.44 0.05 0.00 -0.22 0.00 0.00 33.01 30.06 3kr3 s GLN 156 CO 0.29 0.14 0.25 0.45 -0.25 0.00 0.00 175.29 176.17 3kr3 s SER 157 N -2.10 -0.16 0.00 5.90 0.15 -1.26 -4.63 113.70 111.59 3kr3 s SER 157 Ca 0.55 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.74 3kr3 s SER 157 Cb -0.11 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3kr3 s SER 157 CO 0.17 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3kr3 n GLY 158 N 4.42 0.70 0.10 9.45 0.00 -1.26 -4.91 105.19 113.69 3kr3 n GLY 158 Ca -0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.89 3kr3 n GLY 158 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kr3 n ASN 159 N 0.00 2.14 -4.15 1.61 6.94 -1.26 -5.03 115.26 115.51 3kr3 n ASN 159 Ca 0.00 -2.94 -0.10 0.00 -0.02 0.00 0.00 54.58 51.52 3kr3 n ASN 159 Cb 0.00 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 36.93 3kr3 n ASN 159 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3kr3 s SER 160 N -2.63 0.97 0.02 0.53 1.04 -1.26 -1.33 113.70 111.05 3kr3 s SER 160 Ca 0.28 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3kr3 s SER 160 Cb 0.24 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 3kr3 s SER 160 CO 0.03 -0.49 -0.05 -1.10 0.98 0.00 0.00 173.24 172.61 3kr3 s GLN 161 N -3.80 0.37 0.11 4.02 -0.21 -0.44 -4.96 119.66 114.75 3kr3 s GLN 161 Ca 0.10 -0.56 0.07 0.00 0.02 0.00 0.00 55.36 54.99 3kr3 s GLN 161 Cb 0.06 -0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 3kr3 s GLN 161 CO -0.06 0.01 -0.06 -1.21 -2.12 0.00 0.00 175.29 171.85 3kr3 s GLU 162 N -1.23 2.27 0.00 2.91 2.02 -1.26 -1.46 118.70 121.96 3kr3 s GLU 162 Ca -0.10 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 53.89 3kr3 s GLU 162 Cb -0.08 -2.37 -0.00 0.00 0.10 0.00 0.00 34.13 31.77 3kr3 s GLU 162 CO -0.00 0.51 -0.01 0.45 0.02 0.00 0.00 175.26 176.22 3kr3 s SER 163 N -2.36 0.13 -0.08 -0.19 0.15 -0.12 -4.98 113.70 106.25 3kr3 s SER 163 Ca 0.23 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.85 3kr3 s SER 163 Cb -0.11 -0.00 0.01 0.00 -1.71 0.00 0.00 66.02 64.21 3kr3 s SER 163 CO 0.16 -0.02 -0.18 -0.69 1.20 0.00 0.00 173.24 173.71 3kr3 s VAL 164 N -0.16 1.60 0.99 4.45 1.01 -1.26 0.14 120.40 127.17 3kr3 s VAL 164 Ca -0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 3kr3 s VAL 164 Cb -0.01 -1.41 0.19 0.00 0.00 0.00 0.00 36.38 35.14 3kr3 s VAL 164 CO -0.00 0.46 1.08 0.42 0.00 0.00 0.00 175.10 177.06 3kr3 s THR 165 N 0.54 2.30 0.55 3.92 -4.23 -0.33 -5.00 115.64 113.39 3kr3 s THR 165 Ca -0.16 0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.29 3kr3 s THR 165 Cb -0.17 -2.38 -0.06 0.00 1.34 0.00 0.00 72.50 71.23 3kr3 s THR 165 CO 0.06 -0.13 1.01 -1.10 -0.54 0.00 0.00 174.62 173.92 3kr3 s GLN 166 N -4.75 3.71 0.19 3.99 -1.52 -1.26 -4.69 119.66 115.34 3kr3 s GLN 166 Ca 0.66 1.01 -0.30 0.00 -1.95 0.00 0.00 55.36 54.78 3kr3 s GLN 166 Cb -0.21 -2.10 -0.17 0.00 -0.22 0.00 0.00 33.01 30.32 3kr3 s GLN 166 CO 0.60 -0.47 0.75 0.39 -0.25 0.00 0.00 175.29 176.30 3kr3 n GLU 167 N -1.84 0.40 -2.25 2.91 1.02 -1.26 -4.83 120.64 114.78 3kr3 n GLU 167 Ca 0.07 0.14 -0.41 0.00 -0.02 0.00 0.00 57.16 56.95 3kr3 n GLU 167 Cb 0.54 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 3kr3 n GLU 167 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kr3 s ASP 168 N -0.70 6.96 0.18 1.62 2.15 -0.09 -4.92 116.67 121.87 3kr3 s ASP 168 Ca 0.67 2.53 0.26 0.00 0.43 0.00 0.00 52.55 56.44 3kr3 s ASP 168 Cb -0.91 -2.64 0.88 0.00 -0.30 0.00 0.00 42.92 39.94 3kr3 s ASP 168 CO 0.57 -0.39 1.80 -1.54 -0.17 0.00 0.00 175.17 175.43 3kr3 n SER 169 N 1.02 0.69 -0.13 -0.34 3.41 -1.26 -1.81 113.62 115.20 3kr3 n SER 169 Ca -0.00 0.57 -0.28 0.00 -0.26 0.00 0.00 58.87 58.90 3kr3 n SER 169 Cb 0.43 -0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 3kr3 n SER 169 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kr3 n LYS 170 N -2.15 0.59 0.00 4.33 5.02 -1.26 -2.33 118.16 122.36 3kr3 n LYS 170 Ca 0.06 0.31 0.04 0.00 -2.02 0.00 0.00 58.31 56.69 3kr3 n LYS 170 Cb 0.41 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 3kr3 n LYS 170 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3kr3 n ASP 171 N -4.19 1.37 -1.57 4.39 5.68 -1.26 -4.90 116.55 116.06 3kr3 n ASP 171 Ca -0.50 -1.18 -0.19 0.00 -0.50 0.00 0.00 54.79 52.42 3kr3 n ASP 171 Cb 0.86 0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 40.98 3kr3 n ASP 171 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3kr3 n SER 172 N 0.11 -5.28 -5.00 -1.12 7.64 -0.75 -4.97 113.62 104.25 3kr3 n SER 172 Ca 0.04 0.37 -0.18 0.00 1.01 0.00 0.00 58.87 60.10 3kr3 n SER 172 Cb 0.17 -4.41 0.03 0.00 -1.01 0.00 0.00 64.21 59.00 3kr3 n SER 172 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kr3 s THR 173 N -2.74 2.73 0.16 0.44 -4.23 -1.26 -4.59 115.64 106.14 3kr3 s THR 173 Ca 0.00 -0.95 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 3kr3 s THR 173 Cb 0.00 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 3kr3 s THR 173 CO 0.00 0.00 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.63 3kr3 s TYR 174 N -2.50 2.56 0.14 3.99 1.51 0.43 -0.91 117.35 122.58 3kr3 s TYR 174 Ca 0.57 -0.25 0.10 0.00 -1.01 0.00 0.00 57.07 56.49 3kr3 s TYR 174 Cb -0.09 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 3kr3 s TYR 174 CO 0.35 0.47 -0.24 -1.12 -1.11 0.00 0.00 175.55 173.90 3kr3 s SER 175 N -2.56 3.09 0.04 2.29 0.01 -1.26 -0.05 113.70 115.26 3kr3 s SER 175 Ca 0.22 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.75 3kr3 s SER 175 Cb -0.09 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 3kr3 s SER 175 CO 0.13 0.12 -0.12 -0.22 0.41 0.00 0.00 173.24 173.56 3kr3 s LEU 176 N -2.20 2.18 -0.01 2.44 0.20 0.57 -1.18 118.68 120.68 3kr3 s LEU 176 Ca 0.14 -0.45 0.06 0.00 0.69 0.00 0.00 54.13 54.56 3kr3 s LEU 176 Cb -0.09 -0.46 -0.03 0.00 -0.43 0.00 0.00 46.19 45.18 3kr3 s LEU 176 CO 0.06 -0.03 -0.17 -0.94 -0.29 0.00 0.00 176.35 174.99 3kr3 s SER 177 N -1.17 3.82 -0.12 3.68 1.04 0.12 -0.79 113.70 120.27 3kr3 s SER 177 Ca -0.01 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.12 3kr3 s SER 177 Cb -0.08 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.35 3kr3 s SER 177 CO 0.01 0.30 -0.21 -0.55 0.98 0.00 0.00 173.24 173.77 3kr3 s SER 178 N -1.02 3.28 -0.19 7.02 0.15 0.36 -0.94 113.70 122.36 3kr3 s SER 178 Ca 0.13 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.25 3kr3 s SER 178 Cb -0.10 -1.46 0.03 0.00 -1.71 0.00 0.00 66.02 62.78 3kr3 s SER 178 CO 0.02 0.13 -0.13 -0.89 1.20 0.00 0.00 173.24 173.57 3kr3 s THR 179 N 0.53 1.78 -0.16 6.45 2.01 -0.53 -0.30 115.64 125.42 3kr3 s THR 179 Ca -0.13 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 60.74 3kr3 s THR 179 Cb -0.17 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 3kr3 s THR 179 CO 0.04 0.30 0.38 -0.22 -0.69 0.00 0.00 174.62 174.43 3kr3 s LEU 180 N 1.36 4.23 -0.17 4.42 2.96 0.52 -1.33 118.68 130.67 3kr3 s LEU 180 Ca 0.01 0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 54.51 3kr3 s LEU 180 Cb -0.15 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 3kr3 s LEU 180 CO -0.10 0.02 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.95 3kr3 s THR 181 N 0.77 2.96 0.10 3.68 2.01 -0.44 -0.51 115.64 124.20 3kr3 s THR 181 Ca 0.20 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.60 3kr3 s THR 181 Cb -0.14 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 3kr3 s THR 181 CO 0.07 0.49 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.59 3kr3 s LEU 182 N 0.90 2.36 0.69 4.42 1.43 0.20 -4.87 118.68 123.81 3kr3 s LEU 182 Ca -0.03 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.18 3kr3 s LEU 182 Cb -0.15 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.55 3kr3 s LEU 182 CO -0.00 -0.12 1.16 -0.94 0.23 0.00 0.00 176.35 176.67 3kr3 s SER 183 N -2.20 4.71 0.23 2.29 1.04 -1.26 -0.00 113.70 118.50 3kr3 s SER 183 Ca 0.05 2.18 -0.07 0.00 0.48 0.00 0.00 55.95 58.60 3kr3 s SER 183 Cb -0.07 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 63.80 3kr3 s SER 183 CO 0.03 -1.91 1.81 0.50 0.98 0.00 0.00 173.24 174.65 3kr3 h LYS 184 N -0.05 0.72 0.07 4.02 3.64 -1.74 -1.18 116.57 122.05 3kr3 h LYS 184 Ca -0.47 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.88 3kr3 h LYS 184 Cb 1.27 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 3kr3 h LYS 184 CO 0.52 0.48 -0.47 0.00 -2.27 0.00 0.00 179.45 177.71 3kr3 h ALA 185 N 1.40 -0.83 -0.86 5.00 0.00 -1.93 -1.16 119.26 120.88 3kr3 h ALA 185 Ca 0.35 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3kr3 h ALA 185 Cb 0.27 0.81 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3kr3 h ALA 185 CO -0.22 -1.04 0.55 -0.44 0.00 0.00 0.00 179.25 178.10 3kr3 h ASP 186 N -0.67 0.90 -0.60 0.00 3.32 -1.90 -2.70 116.42 114.78 3kr3 h ASP 186 Ca 0.02 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3kr3 h ASP 186 Cb 0.71 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3kr3 h ASP 186 CO -0.29 0.61 0.29 0.22 -1.72 0.00 0.00 179.24 178.35 3kr3 h TYR 187 N 1.06 0.88 0.00 4.55 3.20 -1.03 -2.54 116.97 123.10 3kr3 h TYR 187 Ca 0.35 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3kr3 h TYR 187 Cb 0.05 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3kr3 h TYR 187 CO -0.02 0.65 0.00 0.39 -1.64 0.00 0.00 178.16 177.54 3kr3 n GLU 188 N -4.34 0.20 0.25 1.82 -0.58 -0.45 -3.07 120.64 114.47 3kr3 n GLU 188 Ca 0.06 0.26 0.15 0.00 -0.42 0.00 0.00 57.16 57.20 3kr3 n GLU 188 Cb 0.14 -1.78 0.54 0.00 -0.57 0.00 0.00 31.44 29.77 3kr3 n GLU 188 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3kr3 h LYS 189 N 0.00 0.00 -5.31 3.49 1.57 -1.18 -3.47 116.57 111.67 3kr3 h LYS 189 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 3kr3 h LYS 189 Cb 0.57 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.74 3kr3 h LYS 189 CO 0.00 0.06 -0.67 -1.01 -0.57 0.00 0.00 179.45 177.26 3kr3 s HIS 190 N -3.58 1.76 0.01 -1.35 3.76 -1.17 -5.09 115.29 109.62 3kr3 s HIS 190 Ca 0.02 -0.80 -0.02 0.00 -0.15 0.00 0.00 55.06 54.11 3kr3 s HIS 190 Cb 0.09 -1.01 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 3kr3 s HIS 190 CO 0.59 0.13 -0.04 1.17 -0.85 0.00 0.00 174.74 175.74 3kr3 n LYS 191 N -0.50 0.07 -3.43 1.40 0.00 -1.26 -4.71 118.16 109.73 3kr3 n LYS 191 Ca -0.05 0.03 -0.39 0.00 0.00 0.00 0.00 58.31 57.90 3kr3 n LYS 191 Cb 0.63 -0.62 -0.09 0.00 0.00 0.00 0.00 35.03 34.95 3kr3 n LYS 191 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3kr3 s VAL 192 N -2.09 5.20 -0.22 3.15 1.01 -1.26 0.86 120.40 127.05 3kr3 s VAL 192 Ca -0.04 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 3kr3 s VAL 192 Cb 0.01 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.74 3kr3 s VAL 192 CO 0.06 0.17 -0.08 -0.31 0.00 0.00 0.00 175.10 174.94 3kr3 s TYR 193 N 2.00 2.95 -0.03 5.22 1.51 -0.21 -0.83 117.35 127.96 3kr3 s TYR 193 Ca 0.13 -1.27 0.02 0.00 -1.01 0.00 0.00 57.07 54.95 3kr3 s TYR 193 Cb -0.16 -2.05 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 3kr3 s TYR 193 CO 0.10 -0.66 -0.09 0.00 -1.11 0.00 0.00 175.55 173.80 3kr3 s ALA 194 N 1.40 0.89 -0.25 3.71 0.00 -0.53 -1.70 121.76 125.27 3kr3 s ALA 194 Ca 0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 3kr3 s ALA 194 Cb -0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3kr3 s ALA 194 CO -0.06 0.12 0.06 0.00 0.00 0.00 0.00 175.76 175.88 3kr3 s GLU 196 N 1.58 3.58 -0.18 0.00 2.12 0.68 -1.06 118.70 125.41 3kr3 s GLU 196 Ca 0.06 -0.54 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 3kr3 s GLU 196 Cb -0.15 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 3kr3 s GLU 196 CO 0.02 0.01 -0.04 0.08 -0.54 0.00 0.00 175.26 174.79 3kr3 s VAL 197 N 0.99 3.66 -0.15 3.70 1.01 0.64 -0.16 120.40 130.09 3kr3 s VAL 197 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3kr3 s VAL 197 Cb -0.14 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 3kr3 s VAL 197 CO 0.01 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.55 3kr3 s THR 198 N 0.88 2.93 -0.02 3.92 2.01 0.30 -1.15 115.64 124.50 3kr3 s THR 198 Ca -0.01 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.18 3kr3 s THR 198 Cb -0.15 -2.25 0.02 0.00 0.01 0.00 0.00 72.50 70.14 3kr3 s THR 198 CO 0.01 0.51 0.29 -2.28 -0.69 0.00 0.00 174.62 172.46 3kr3 s HIS 199 N 0.72 -0.18 0.43 4.92 5.04 -1.26 -0.73 115.29 124.23 3kr3 s HIS 199 Ca -0.06 0.29 0.23 0.00 -1.54 0.00 0.00 55.06 53.99 3kr3 s HIS 199 Cb -0.15 0.08 1.22 0.00 0.04 0.00 0.00 32.58 33.77 3kr3 s HIS 199 CO 0.02 -0.35 1.76 0.37 -2.34 0.00 0.00 174.74 174.19 3kr3 h GLN 200 N 4.13 0.28 -0.13 2.88 4.15 -1.93 -1.66 115.11 122.82 3kr3 h GLN 200 Ca -0.29 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3kr3 h GLN 200 Cb 1.18 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3kr3 h GLN 200 CO 0.39 0.18 0.00 0.41 -1.93 0.00 0.00 178.83 177.88 3kr3 n GLY 201 N -1.53 -0.08 3.33 2.39 0.00 -1.26 -4.82 105.19 103.21 3kr3 n GLY 201 Ca 0.27 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3kr3 n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kr3 s LEU 202 N -1.50 2.46 0.39 0.99 1.43 -0.62 -4.23 118.68 117.60 3kr3 s LEU 202 Ca 0.29 -0.40 0.12 0.00 -1.03 0.00 0.00 54.13 53.11 3kr3 s LEU 202 Cb 0.15 -1.52 0.81 0.00 0.03 0.00 0.00 46.19 45.66 3kr3 s LEU 202 CO 0.23 0.20 1.90 0.28 0.23 0.00 0.00 176.35 179.19 3kr3 h SER 203 N 6.44 0.09 -5.09 2.29 0.02 -1.88 -3.44 113.55 111.98 3kr3 h SER 203 Ca -0.27 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.55 3kr3 h SER 203 Cb 1.21 -0.02 -0.17 0.00 0.14 0.00 0.00 62.40 63.56 3kr3 h SER 203 CO 0.51 0.33 -0.41 -0.55 -1.14 0.00 0.00 176.83 175.58 3kr3 s SER 204 N -6.94 0.07 0.39 3.07 0.15 -1.26 -5.13 113.70 104.05 3kr3 s SER 204 Ca -0.04 -0.44 -0.27 0.00 0.70 0.00 0.00 55.95 55.90 3kr3 s SER 204 Cb 0.15 0.29 -0.10 0.00 -1.71 0.00 0.00 66.02 64.64 3kr3 s SER 204 CO 0.72 -0.58 1.48 -2.65 1.20 0.00 0.00 173.24 173.42 3kr3 n PRO 205 N 0.58 2.60 -3.72 5.44 -0.02 -1.26 -4.92 135.00 133.69 3kr3 n PRO 205 Ca -0.18 0.91 -0.36 0.00 -2.02 0.00 0.00 63.50 61.85 3kr3 n PRO 205 Cb 0.59 -2.67 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 3kr3 n PRO 205 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kr3 s VAL 206 N -1.13 5.18 -0.18 -1.45 1.01 -0.30 -4.89 120.40 118.62 3kr3 s VAL 206 Ca 0.55 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 3kr3 s VAL 206 Cb -0.47 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3kr3 s VAL 206 CO 0.63 0.36 -0.01 -0.89 0.00 0.00 0.00 175.10 175.19 3kr3 s THR 207 N 1.01 3.94 -0.06 3.92 2.01 -1.26 -0.26 115.64 124.94 3kr3 s THR 207 Ca 0.07 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.78 3kr3 s THR 207 Cb -0.13 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 3kr3 s THR 207 CO 0.04 0.45 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.70 3kr3 s LYS 208 N 0.77 2.64 0.17 4.92 -0.14 -0.23 -4.97 119.74 122.90 3kr3 s LYS 208 Ca -0.00 -0.78 -0.16 0.00 -1.36 0.00 0.00 55.97 53.67 3kr3 s LYS 208 Cb -0.14 -2.33 0.02 0.00 -1.68 0.00 0.00 37.83 33.70 3kr3 s LYS 208 CO 0.02 0.47 0.45 -1.54 -0.76 0.00 0.00 175.35 173.99 3kr3 s SER 209 N -0.36 -0.20 0.09 2.83 1.04 -1.26 -0.60 113.70 115.23 3kr3 s SER 209 Ca 0.03 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 3kr3 s SER 209 Cb -0.12 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 3kr3 s SER 209 CO 0.02 -0.97 0.04 0.72 0.98 0.00 0.00 173.24 174.04 3kr3 s PHE 210 N -3.87 0.57 -0.18 5.02 -0.12 -0.69 -5.01 117.98 113.70 3kr3 s PHE 210 Ca 0.08 -1.04 -0.11 0.00 -0.05 0.00 0.00 56.93 55.82 3kr3 s PHE 210 Cb 0.01 -0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 41.99 3kr3 s PHE 210 CO -0.05 -0.47 0.17 -0.80 -0.05 0.00 0.00 175.22 174.03 3kr3 s ASN 211 N -2.96 6.28 -0.04 1.98 0.01 -1.26 -1.05 114.94 117.91 3kr3 s ASN 211 Ca 0.13 0.32 -0.31 0.00 -0.71 0.00 0.00 52.86 52.29 3kr3 s ASN 211 Cb 0.07 -2.11 -0.09 0.00 0.41 0.00 0.00 41.25 39.53 3kr3 s ASN 211 CO -0.06 0.18 1.99 -1.14 -1.51 0.00 0.00 177.10 176.56 3kr3 n ARG 212 N 3.41 2.52 0.00 -0.60 0.63 0.25 -1.39 116.66 121.48 3kr3 n ARG 212 Ca -0.15 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 3kr3 n ARG 212 Cb 0.52 -2.92 0.00 0.00 0.45 0.00 0.00 32.46 30.51 3kr3 n ARG 212 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kr3 n GLY 213 N 4.73 3.28 0.00 5.14 0.00 -1.26 -4.97 105.19 112.10 3kr3 n GLY 213 Ca 0.23 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3kr3 n GLY 213 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48