#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr6 s ASP 2 N 0.00 4.92 0.13 6.12 1.11 -1.26 -4.35 116.67 123.33 3kr6 s ASP 2 Ca 0.00 2.24 -0.01 0.00 0.18 0.00 0.00 52.55 54.96 3kr6 s ASP 2 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 3kr6 s ASP 2 CO 0.00 -1.76 0.05 -0.54 1.18 0.00 0.00 175.17 174.09 3kr6 s LYS 3 N -3.72 0.91 -0.14 8.23 1.02 -0.58 -3.26 119.74 122.19 3kr6 s LYS 3 Ca 0.73 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 3kr6 s LYS 3 Cb -0.26 0.22 -0.01 0.00 -0.52 0.00 0.00 37.83 37.26 3kr6 s LYS 3 CO 0.38 -0.24 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.39 3kr6 s PHE 4 N -4.03 2.83 -0.22 3.18 2.99 -0.41 -0.77 117.98 121.55 3kr6 s PHE 4 Ca 0.23 -0.71 -0.07 0.00 0.00 0.00 0.00 56.93 56.38 3kr6 s PHE 4 Cb 0.07 -1.88 -0.03 0.00 0.00 0.00 0.00 43.02 41.19 3kr6 s PHE 4 CO 0.01 -0.27 0.05 0.50 -0.00 0.00 0.00 175.22 175.50 3kr6 s ARG 5 N 0.52 3.69 -0.03 0.44 3.52 -0.15 -0.81 118.95 126.12 3kr6 s ARG 5 Ca -0.08 -0.47 0.07 0.00 -0.13 0.00 0.00 55.73 55.11 3kr6 s ARG 5 Cb -0.16 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 3kr6 s ARG 5 CO 0.04 -0.05 -0.23 0.08 -0.81 0.00 0.00 175.30 174.32 3kr6 s VAL 6 N 1.22 1.88 -0.18 7.11 1.01 0.40 -1.55 120.40 130.30 3kr6 s VAL 6 Ca 0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 3kr6 s VAL 6 Cb -0.14 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3kr6 s VAL 6 CO 0.03 0.53 -0.05 -1.10 0.00 0.00 0.00 175.10 174.51 3kr6 s GLN 7 N -0.35 3.49 0.38 2.72 -1.52 -0.43 -0.67 119.66 123.27 3kr6 s GLN 7 Ca 0.03 -0.59 0.04 0.00 -1.95 0.00 0.00 55.36 52.89 3kr6 s GLN 7 Cb -0.11 -2.92 -0.05 0.00 -0.22 0.00 0.00 33.01 29.71 3kr6 s GLN 7 CO 0.01 0.03 0.07 0.20 -0.25 0.00 0.00 175.29 175.34 3kr6 s GLY 8 N 0.90 2.38 0.25 3.09 0.00 0.83 -4.25 107.32 110.52 3kr6 s GLY 8 Ca -0.01 -1.66 -0.07 0.00 0.00 0.00 0.00 44.72 42.98 3kr6 s GLY 8 CO 0.01 -1.89 0.54 2.56 0.00 0.00 0.00 173.10 174.31 3kr6 s PRO 9 N -3.82 3.71 -0.03 2.90 0.04 -0.86 -0.92 135.00 136.01 3kr6 s PRO 9 Ca 0.29 0.12 0.01 0.00 0.04 0.00 0.00 61.00 61.46 3kr6 s PRO 9 Cb 0.06 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 31.96 3kr6 s PRO 9 CO 0.14 0.28 -0.01 0.95 0.04 0.00 0.00 177.00 178.40 3kr6 s THR 10 N -1.92 0.26 -0.10 1.26 -4.23 0.27 -4.99 115.64 106.20 3kr6 s THR 10 Ca 0.45 0.04 -0.30 0.00 -1.18 0.00 0.00 61.69 60.70 3kr6 s THR 10 Cb -0.11 -0.34 -0.02 0.00 1.34 0.00 0.00 72.50 73.36 3kr6 s THR 10 CO 0.25 0.17 1.15 -0.75 -0.54 0.00 0.00 174.62 174.90 3kr6 s LYS 11 N 1.01 4.35 -0.28 3.99 2.20 -1.26 -4.58 119.74 125.16 3kr6 s LYS 11 Ca -0.10 1.58 -0.17 0.00 -0.36 0.00 0.00 55.97 56.92 3kr6 s LYS 11 Cb -0.14 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3kr6 s LYS 11 CO -0.01 -0.46 0.46 -0.51 -0.36 0.00 0.00 175.35 174.46 3kr6 s LEU 12 N 2.42 4.10 0.00 5.43 1.43 -1.26 -4.69 118.68 126.11 3kr6 s LEU 12 Ca 0.53 0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 53.78 3kr6 s LEU 12 Cb -0.22 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.48 3kr6 s LEU 12 CO 0.19 -0.28 0.40 0.00 0.23 0.00 0.00 176.35 176.88 3kr6 s GLN 13 N 2.23 0.82 0.00 1.70 -2.07 -0.46 -3.43 119.66 118.45 3kr6 s GLN 13 Ca 0.18 -0.20 0.00 0.00 -1.82 0.00 0.00 55.36 53.53 3kr6 s GLN 13 Cb -0.16 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 3kr6 s GLN 13 CO 0.10 -0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.23 3kr6 n GLY 14 N 0.93 0.50 3.11 2.60 0.00 -0.65 -4.43 105.19 107.24 3kr6 n GLY 14 Ca -0.20 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 3kr6 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kr6 s GLU 15 N -1.11 0.67 -0.05 1.61 2.02 -1.26 -1.61 118.70 118.96 3kr6 s GLU 15 Ca 0.00 -1.26 -0.10 0.00 0.02 0.00 0.00 54.97 53.63 3kr6 s GLU 15 Cb 0.00 0.15 0.02 0.00 0.10 0.00 0.00 34.13 34.40 3kr6 s GLU 15 CO 0.00 -0.11 0.25 0.54 0.02 0.00 0.00 175.26 175.96 3kr6 s VAL 16 N -3.89 0.04 -0.24 2.63 0.11 -0.66 -4.79 120.40 113.60 3kr6 s VAL 16 Ca 0.09 -0.29 -0.06 0.00 -2.93 0.00 0.00 61.98 58.79 3kr6 s VAL 16 Cb 0.08 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 3kr6 s VAL 16 CO -0.08 -0.16 0.04 -0.89 -3.33 0.00 0.00 175.10 170.68 3kr6 s THR 17 N -0.62 4.10 0.20 5.04 2.01 -1.26 -0.45 115.64 124.65 3kr6 s THR 17 Ca -0.07 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 3kr6 s THR 17 Cb -0.04 -2.90 -0.08 0.00 0.01 0.00 0.00 72.50 69.48 3kr6 s THR 17 CO 0.02 0.36 1.22 -0.63 -0.69 0.00 0.00 174.62 174.90 3kr6 s ILE 18 N 1.53 3.45 0.66 1.82 -1.09 0.01 -4.94 121.20 122.63 3kr6 s ILE 18 Ca 0.06 1.23 -0.04 0.00 -2.23 0.00 0.00 60.65 59.67 3kr6 s ILE 18 Cb -0.15 -3.79 0.05 0.00 -1.58 0.00 0.00 42.46 37.00 3kr6 s ILE 18 CO 0.02 0.20 0.94 -0.44 -1.23 0.00 0.00 174.94 174.44 3kr6 s SER 19 N 0.09 4.96 0.66 3.58 0.01 -1.26 -4.79 113.70 116.96 3kr6 s SER 19 Ca 0.53 0.32 -0.17 0.00 1.31 0.00 0.00 55.95 57.94 3kr6 s SER 19 Cb -0.34 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 64.85 3kr6 s SER 19 CO 0.38 -1.45 1.23 -0.83 0.41 0.00 0.00 173.24 172.98 3kr6 s GLY 20 N -4.49 2.62 0.07 3.44 0.00 -1.23 -1.02 107.32 106.71 3kr6 s GLY 20 Ca 0.59 1.02 -0.31 0.00 0.00 0.00 0.00 44.72 46.03 3kr6 s GLY 20 CO 0.43 1.43 1.68 0.00 0.00 0.00 0.00 173.10 176.63 3kr6 s ALA 21 N -1.69 3.69 0.17 3.20 0.00 0.17 -4.30 121.76 123.00 3kr6 s ALA 21 Ca 0.78 1.22 -0.17 0.00 0.00 0.00 0.00 51.96 53.79 3kr6 s ALA 21 Cb -0.32 -3.71 0.11 0.00 0.00 0.00 0.00 23.12 19.21 3kr6 s ALA 21 CO 0.40 -1.14 1.65 -0.22 0.00 0.00 0.00 175.76 176.45 3kr6 h LYS 22 N 8.45 -0.03 -0.08 0.00 3.64 -1.90 0.35 116.57 127.00 3kr6 h LYS 22 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3kr6 h LYS 22 Cb 1.20 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3kr6 h LYS 22 CO 0.93 -0.02 0.00 0.09 -2.27 0.00 0.00 179.45 178.18 3kr6 n ASN 23 N -5.34 0.51 -0.06 4.20 3.02 -1.26 -1.82 115.26 114.51 3kr6 n ASN 23 Ca 0.03 -1.76 -0.08 0.00 -0.03 0.00 0.00 54.58 52.74 3kr6 n ASN 23 Cb 0.25 -0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.32 3kr6 n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr6 n ALA 24 N -0.33 1.75 -0.31 5.41 0.00 -0.91 -4.39 120.51 121.73 3kr6 n ALA 24 Ca 0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 53.01 3kr6 n ALA 24 Cb 0.11 0.23 0.11 0.00 0.00 0.00 0.00 19.45 19.90 3kr6 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr6 h ALA 25 N -0.00 1.11 0.18 0.00 0.00 -0.85 -2.23 119.26 117.47 3kr6 h ALA 25 Ca -0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3kr6 h ALA 25 Cb 1.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kr6 h ALA 25 CO -0.04 0.39 -0.09 -0.07 0.00 0.00 0.00 179.25 179.44 3kr6 h LEU 26 N 1.06 -0.20 -1.52 0.00 3.38 -1.58 -0.27 115.31 116.17 3kr6 h LEU 26 Ca 0.34 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3kr6 h LEU 26 Cb -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kr6 h LEU 26 CO -0.11 0.05 -0.24 1.55 0.09 0.00 0.00 178.44 179.77 3kr6 h PRO 27 N -0.46 0.00 -0.48 1.13 0.13 -1.75 -2.32 132.00 128.25 3kr6 h PRO 27 Ca -0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 3kr6 h PRO 27 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3kr6 h PRO 27 CO 0.04 0.24 -0.14 0.82 -0.23 0.00 0.00 178.00 178.73 3kr6 h ILE 28 N 0.00 1.27 -0.63 -3.56 2.04 -1.22 0.40 117.51 115.81 3kr6 h ILE 28 Ca -0.00 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 3kr6 h ILE 28 Cb 0.43 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3kr6 h ILE 28 CO 0.03 0.45 0.38 -0.07 0.00 0.00 0.00 178.15 178.93 3kr6 h LEU 29 N 0.80 0.77 -0.65 1.44 3.38 -0.53 -1.50 115.31 119.02 3kr6 h LEU 29 Ca 0.12 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3kr6 h LEU 29 Cb 0.71 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3kr6 h LEU 29 CO 0.05 0.61 -0.61 -0.26 0.09 0.00 0.00 178.44 178.32 3kr6 h PHE 30 N 0.86 0.27 0.00 1.13 -1.00 -1.31 -2.69 116.94 114.21 3kr6 h PHE 30 Ca 0.23 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 3kr6 h PHE 30 Cb -0.01 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.50 3kr6 h PHE 30 CO -0.02 0.77 -0.09 0.00 -1.61 0.00 0.00 178.31 177.36 3kr6 h ALA 31 N 1.21 1.31 0.00 2.45 0.00 -0.36 -1.47 119.26 122.40 3kr6 h ALA 31 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kr6 h ALA 31 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kr6 h ALA 31 CO 0.09 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3kr6 n ALA 32 N -2.28 1.42 0.32 0.00 0.00 -0.62 -1.01 120.51 118.35 3kr6 n ALA 32 Ca -0.02 0.11 0.21 0.00 0.00 0.00 0.00 53.44 53.73 3kr6 n ALA 32 Cb 0.21 -1.33 1.02 0.00 0.00 0.00 0.00 19.45 19.35 3kr6 n ALA 32 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kr6 h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.40 -1.40 115.31 115.89 3kr6 h LEU 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kr6 h LEU 33 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kr6 h LEU 33 CO 0.00 0.00 -0.14 -0.07 0.09 0.00 0.00 178.44 178.32 3kr6 h LEU 34 N 0.00 0.00 -9.44 1.67 3.38 -1.28 -3.47 115.31 106.18 3kr6 h LEU 34 Ca 0.00 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3kr6 h LEU 34 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kr6 h LEU 34 CO 0.00 0.00 0.66 0.00 0.09 0.00 0.00 178.44 179.19 3kr6 s ALA 35 N -3.22 3.47 -0.22 1.53 0.00 -0.53 -4.18 121.76 118.61 3kr6 s ALA 35 Ca 0.06 0.84 0.15 0.00 0.00 0.00 0.00 51.96 53.01 3kr6 s ALA 35 Cb 0.07 -3.50 0.63 0.00 0.00 0.00 0.00 23.12 20.32 3kr6 s ALA 35 CO 0.68 -0.61 1.55 0.39 0.00 0.00 0.00 175.76 177.77 3kr6 n GLU 36 N 4.45 3.42 -3.98 0.00 1.02 -0.09 -4.18 120.64 121.27 3kr6 n GLU 36 Ca 0.10 -2.98 -0.08 0.00 -0.02 0.00 0.00 57.16 54.18 3kr6 n GLU 36 Cb 0.45 -1.99 -0.09 0.00 -0.02 0.00 0.00 31.44 29.79 3kr6 n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kr6 s GLU 37 N -2.87 0.62 0.66 3.49 0.41 -1.22 -4.84 118.70 114.94 3kr6 s GLU 37 Ca 0.47 -0.95 -0.18 0.00 -0.41 0.00 0.00 54.97 53.90 3kr6 s GLU 37 Cb 0.38 0.23 -0.00 0.00 -1.78 0.00 0.00 34.13 32.95 3kr6 s GLU 37 CO 0.10 -0.14 1.27 -2.30 -0.49 0.00 0.00 175.26 173.70 3kr6 n PRO 38 N 0.45 1.02 -4.41 0.39 -0.02 -1.26 -4.21 135.00 126.96 3kr6 n PRO 38 Ca -0.17 0.41 -0.20 0.00 -2.02 0.00 0.00 63.50 61.52 3kr6 n PRO 38 Cb 0.60 -2.51 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 3kr6 n PRO 38 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kr6 s VAL 39 N -1.45 0.94 -0.18 -1.45 -7.23 -0.10 -2.79 120.40 108.13 3kr6 s VAL 39 Ca 0.82 -0.70 -0.00 0.00 -1.81 0.00 0.00 61.98 60.29 3kr6 s VAL 39 Cb -0.37 -0.82 0.01 0.00 0.56 0.00 0.00 36.38 35.75 3kr6 s VAL 39 CO 0.41 0.13 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.47 3kr6 s GLU 40 N -0.65 3.10 -0.26 4.82 2.12 -0.36 -1.33 118.70 126.14 3kr6 s GLU 40 Ca 0.03 -0.78 -0.05 0.00 0.36 0.00 0.00 54.97 54.52 3kr6 s GLU 40 Cb -0.06 -2.67 -0.00 0.00 0.26 0.00 0.00 34.13 31.67 3kr6 s GLU 40 CO 0.00 -0.18 0.02 0.42 -0.54 0.00 0.00 175.26 174.99 3kr6 s ILE 41 N 1.26 3.68 0.29 -3.70 1.01 0.18 -1.31 121.20 122.63 3kr6 s ILE 41 Ca 0.04 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3kr6 s ILE 41 Cb -0.14 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 3kr6 s ILE 41 CO -0.09 0.25 0.47 -1.10 0.00 0.00 0.00 174.94 174.46 3kr6 s GLN 42 N 1.49 3.48 -1.35 2.79 -0.21 0.12 -0.26 119.66 125.72 3kr6 s GLN 42 Ca 0.04 -0.47 -0.07 0.00 0.02 0.00 0.00 55.36 54.88 3kr6 s GLN 42 Cb -0.16 -2.76 0.02 0.00 1.00 0.00 0.00 33.01 31.11 3kr6 s GLN 42 CO -0.00 0.28 1.05 -1.71 -2.12 0.00 0.00 175.29 172.78 3kr6 n ASN 43 N -1.51 -4.41 -4.66 5.90 5.15 -1.20 -1.26 115.26 113.27 3kr6 n ASN 43 Ca -0.06 -0.64 -0.40 0.00 -0.60 0.00 0.00 54.58 52.88 3kr6 n ASN 43 Cb 0.56 -4.72 -0.06 0.00 -0.53 0.00 0.00 39.78 35.03 3kr6 n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kr6 s VAL 44 N -3.37 5.04 0.65 3.44 1.01 -0.98 -3.56 120.40 122.63 3kr6 s VAL 44 Ca 0.39 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 3kr6 s VAL 44 Cb -0.18 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 3kr6 s VAL 44 CO 0.76 0.13 1.15 -2.16 0.00 0.00 0.00 175.10 174.98 3kr6 s PRO 45 N 1.79 2.72 -0.79 2.72 0.04 -1.26 -4.85 135.00 135.38 3kr6 s PRO 45 Ca 0.28 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 3kr6 s PRO 45 Cb -0.16 -1.92 0.16 0.00 0.04 0.00 0.00 34.50 32.62 3kr6 s PRO 45 CO 0.11 -1.35 0.86 0.15 0.04 0.00 0.00 177.00 176.80 3kr6 s LYS 46 N -3.81 3.43 0.17 4.56 1.02 -1.26 -4.86 119.74 118.99 3kr6 s LYS 46 Ca 0.71 -1.90 0.08 0.00 0.02 0.00 0.00 55.97 54.88 3kr6 s LYS 46 Cb -0.25 -4.54 -0.04 0.00 -0.52 0.00 0.00 37.83 32.48 3kr6 s LYS 46 CO 0.39 -1.52 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.64 3kr6 s LEU 47 N 1.71 2.48 0.20 3.17 1.43 -1.26 -4.44 118.68 121.98 3kr6 s LEU 47 Ca 0.20 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 3kr6 s LEU 47 Cb -0.13 -0.70 0.14 0.00 0.03 0.00 0.00 46.19 45.54 3kr6 s LEU 47 CO -0.05 -0.12 1.87 0.50 0.23 0.00 0.00 176.35 178.78 3kr6 h LYS 48 N 3.00 0.96 -0.19 1.70 3.64 -1.29 -1.25 116.57 123.13 3kr6 h LYS 48 Ca -0.40 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 3kr6 h LYS 48 Cb 1.21 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3kr6 h LYS 48 CO 0.56 0.64 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.90 3kr6 h ASP 49 N 0.98 0.26 -0.30 4.20 5.19 -1.80 -0.19 116.42 124.76 3kr6 h ASP 49 Ca 0.26 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.52 3kr6 h ASP 49 Cb -0.10 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 3kr6 h ASP 49 CO -0.06 0.35 -0.27 0.58 -3.12 0.00 0.00 179.24 176.72 3kr6 h VAL 50 N 0.28 1.30 -0.48 -1.35 2.07 -1.64 -0.98 116.25 115.45 3kr6 h VAL 50 Ca 0.06 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3kr6 h VAL 50 Cb 0.26 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3kr6 h VAL 50 CO 0.01 0.46 0.30 0.44 0.02 0.00 0.00 177.57 178.80 3kr6 h ASP 51 N 0.47 0.56 -0.64 0.57 3.32 -0.67 0.31 116.42 120.34 3kr6 h ASP 51 Ca 0.05 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3kr6 h ASP 51 Cb 0.84 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3kr6 h ASP 51 CO 0.07 0.42 0.41 0.74 -1.72 0.00 0.00 179.24 179.16 3kr6 h THR 52 N 0.64 1.13 -0.61 0.35 2.02 -0.94 -1.75 112.91 113.75 3kr6 h THR 52 Ca 0.17 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 3kr6 h THR 52 Cb -0.04 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 3kr6 h THR 52 CO -0.04 0.15 0.03 0.28 0.37 0.00 0.00 175.52 176.31 3kr6 h SER 53 N 0.83 1.04 -0.60 4.18 0.02 -0.75 -0.23 113.55 118.03 3kr6 h SER 53 Ca 0.24 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3kr6 h SER 53 Cb -0.06 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.18 3kr6 h SER 53 CO -0.07 1.08 0.15 0.24 -1.14 0.00 0.00 176.83 177.08 3kr6 h MET 54 N 0.97 1.00 -0.39 3.45 2.07 -0.65 0.23 114.93 121.60 3kr6 h MET 54 Ca 0.18 -0.23 -0.13 0.00 -2.07 0.00 0.00 59.70 57.45 3kr6 h MET 54 Cb 0.53 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 30.11 3kr6 h MET 54 CO 0.03 0.89 -0.28 0.87 1.07 0.00 0.00 176.91 179.49 3kr6 h LYS 55 N 0.95 0.84 -0.15 1.72 1.57 -1.00 -1.13 116.57 119.37 3kr6 h LYS 55 Ca 0.20 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3kr6 h LYS 55 Cb 0.35 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3kr6 h LYS 55 CO 0.00 1.01 0.03 1.25 -0.57 0.00 0.00 179.45 181.18 3kr6 h LEU 56 N 0.71 0.23 -0.96 2.94 6.46 -0.62 -0.54 115.31 123.53 3kr6 h LEU 56 Ca 0.08 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3kr6 h LEU 56 Cb 0.83 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.65 3kr6 h LEU 56 CO 0.07 0.41 0.62 -0.07 -0.62 0.00 0.00 178.44 178.85 3kr6 h LEU 57 N 0.04 1.12 -0.90 2.25 3.38 -0.85 -1.53 115.31 118.83 3kr6 h LEU 57 Ca 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3kr6 h LEU 57 Cb 0.27 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3kr6 h LEU 57 CO 0.00 0.83 0.49 0.28 0.09 0.00 0.00 178.44 180.14 3kr6 h SER 58 N 1.31 1.12 0.73 -0.43 0.02 -0.87 -1.53 113.55 113.91 3kr6 h SER 58 Ca 0.35 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3kr6 h SER 58 Cb -0.12 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.13 3kr6 h SER 58 CO -0.07 0.90 0.00 1.56 -1.14 0.00 0.00 176.83 178.08 3kr6 h GLN 59 N 1.26 0.00 -0.00 3.45 4.20 -0.09 -0.35 115.11 123.58 3kr6 h GLN 59 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3kr6 h GLN 59 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3kr6 h GLN 59 CO -0.05 0.00 -0.28 1.28 -0.67 0.00 0.00 178.83 179.11 3kr6 n LEU 60 N -2.72 0.54 0.00 1.46 4.77 -0.66 -4.79 117.00 115.59 3kr6 n LEU 60 Ca 0.01 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3kr6 n LEU 60 Cb 0.23 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3kr6 n LEU 60 CO 0.22 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3kr6 n GLY 61 N 1.41 0.99 3.83 -0.72 0.00 -0.14 -1.67 105.19 108.89 3kr6 n GLY 61 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3kr6 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr6 s ALA 62 N -2.00 3.17 -0.29 4.61 0.00 -0.71 -3.75 121.76 122.78 3kr6 s ALA 62 Ca 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 3kr6 s ALA 62 Cb 0.00 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 3kr6 s ALA 62 CO 0.00 0.21 0.41 0.15 0.00 0.00 0.00 175.76 176.54 3kr6 s LYS 63 N -3.00 3.88 -0.01 0.00 1.02 -0.20 -4.13 119.74 117.30 3kr6 s LYS 63 Ca 0.58 -0.04 0.04 0.00 0.02 0.00 0.00 55.97 56.57 3kr6 s LYS 63 Cb -0.10 -3.71 -0.01 0.00 -0.52 0.00 0.00 37.83 33.49 3kr6 s LYS 63 CO 0.16 -0.39 -0.13 0.08 -0.92 0.00 0.00 175.35 174.14 3kr6 s VAL 64 N 2.14 1.07 0.12 3.17 1.01 -1.26 -0.93 120.40 125.72 3kr6 s VAL 64 Ca 0.16 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3kr6 s VAL 64 Cb -0.16 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.37 3kr6 s VAL 64 CO 0.11 0.30 0.41 -1.83 0.00 0.00 0.00 175.10 174.09 3kr6 s GLU 65 N -0.28 1.06 0.37 2.72 -1.05 -0.75 -5.00 118.70 115.76 3kr6 s GLU 65 Ca 0.05 -0.66 -0.11 0.00 -0.15 0.00 0.00 54.97 54.10 3kr6 s GLU 65 Cb -0.06 0.47 0.04 0.00 -0.44 0.00 0.00 34.13 34.14 3kr6 s GLU 65 CO -0.00 -0.41 0.68 -0.98 0.95 0.00 0.00 175.26 175.50 3kr6 s ARG 66 N -3.64 2.13 0.00 -4.83 1.70 -1.26 -0.15 118.95 112.90 3kr6 s ARG 66 Ca 0.02 -1.56 0.00 0.00 -0.47 0.00 0.00 55.73 53.72 3kr6 s ARG 66 Cb 0.01 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 3kr6 s ARG 66 CO -0.11 -0.96 0.00 -0.40 -1.08 0.00 0.00 175.30 172.75 3kr6 n ASP 67 N -1.43 0.00 0.04 -2.89 5.68 -1.26 -5.01 116.55 111.68 3kr6 n ASP 67 Ca -0.05 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.26 3kr6 n ASP 67 Cb 0.60 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.51 3kr6 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kr6 n GLY 68 N 4.30 -1.23 3.79 6.12 0.00 -1.26 -5.18 105.19 111.73 3kr6 n GLY 68 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3kr6 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kr6 s SER 69 N -5.66 5.46 -0.08 1.61 0.01 -1.26 -2.33 113.70 111.45 3kr6 s SER 69 Ca -0.03 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.06 3kr6 s SER 69 Cb 0.09 -1.40 -0.03 0.00 0.21 0.00 0.00 66.02 64.89 3kr6 s SER 69 CO 0.81 0.05 -0.08 -0.69 0.41 0.00 0.00 173.24 173.74 3kr6 s VAL 70 N -1.83 3.57 -0.10 3.43 1.01 0.64 -4.38 120.40 122.74 3kr6 s VAL 70 Ca 0.31 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3kr6 s VAL 70 Cb -0.09 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3kr6 s VAL 70 CO 0.23 0.58 -0.14 -1.00 0.00 0.00 0.00 175.10 174.78 3kr6 s HIS 71 N -0.55 2.77 -0.03 5.22 3.76 0.79 -0.64 115.29 126.61 3kr6 s HIS 71 Ca 0.08 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.53 3kr6 s HIS 71 Cb -0.12 -1.77 0.01 0.00 1.11 0.00 0.00 32.58 31.81 3kr6 s HIS 71 CO 0.02 -0.08 -0.08 0.42 -0.85 0.00 0.00 174.74 174.16 3kr6 s ILE 72 N -0.01 0.76 -0.29 0.60 1.01 -0.44 -1.82 121.20 121.01 3kr6 s ILE 72 Ca -0.04 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.29 3kr6 s ILE 72 Cb -0.14 -0.69 0.09 0.00 0.01 0.00 0.00 42.46 41.73 3kr6 s ILE 72 CO 0.04 0.24 0.05 -0.62 0.00 0.00 0.00 174.94 174.65 3kr6 s ASP 73 N 0.31 4.11 -0.14 3.58 3.68 -0.11 -0.93 116.67 127.18 3kr6 s ASP 73 Ca -0.05 -1.62 0.16 0.00 2.13 0.00 0.00 52.55 53.17 3kr6 s ASP 73 Cb -0.10 -1.12 0.70 0.00 -1.45 0.00 0.00 42.92 40.95 3kr6 s ASP 73 CO 0.01 -0.36 1.59 0.00 0.13 0.00 0.00 175.17 176.54 3kr6 n ALA 74 N 4.67 3.28 0.01 3.66 0.00 -1.26 -1.04 120.51 129.84 3kr6 n ALA 74 Ca -0.03 -1.55 0.02 0.00 0.00 0.00 0.00 53.44 51.88 3kr6 n ALA 74 Cb 0.43 -1.06 0.37 0.00 0.00 0.00 0.00 19.45 19.19 3kr6 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr6 h ARG 75 N 3.76 0.50 -0.50 0.00 3.08 -1.89 -2.89 114.38 116.45 3kr6 h ARG 75 Ca 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kr6 h ARG 75 Cb 1.52 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.47 3kr6 h ARG 75 CO 0.29 0.43 0.00 -0.25 -1.07 0.00 0.00 179.97 179.38 3kr6 n ASP 76 N -4.38 5.27 -4.66 7.04 8.00 -1.26 -5.00 116.55 121.56 3kr6 n ASP 76 Ca 0.02 -2.97 -0.47 0.00 0.71 0.00 0.00 54.79 52.09 3kr6 n ASP 76 Cb 0.15 -0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 40.56 3kr6 n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kr6 n VAL 77 N 0.31 0.18 -1.13 2.53 0.31 -1.09 -4.81 118.33 114.62 3kr6 n VAL 77 Ca 0.26 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 3kr6 n VAL 77 Cb 1.13 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 3kr6 n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3kr6 n ASN 78 N 3.04 0.00 -4.14 4.52 6.94 -0.67 -5.00 115.26 119.95 3kr6 n ASN 78 Ca 0.16 -1.00 -0.28 0.00 -0.02 0.00 0.00 54.58 53.44 3kr6 n ASN 78 Cb 0.28 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.53 3kr6 n ASN 78 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3kr6 s VAL 79 N 0.00 1.58 -0.34 3.53 1.01 -0.83 -5.03 120.40 120.32 3kr6 s VAL 79 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3kr6 s VAL 79 Cb 0.00 -1.38 0.09 0.00 0.00 0.00 0.00 36.38 35.10 3kr6 s VAL 79 CO 0.00 0.45 1.02 0.49 0.00 0.00 0.00 175.10 177.06 3kr6 n PHE 80 N 3.44 0.13 -3.88 5.22 3.72 -1.26 -4.68 117.46 120.15 3kr6 n PHE 80 Ca -0.20 -0.42 -0.35 0.00 -0.05 0.00 0.00 57.45 56.42 3kr6 n PHE 80 Cb 0.52 -0.04 -0.14 0.00 -0.94 0.00 0.00 39.48 38.89 3kr6 n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kr6 s ALA 82 N 1.41 3.37 0.08 0.00 0.00 -0.37 -4.92 121.76 121.33 3kr6 s ALA 82 Ca 0.02 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 52.46 3kr6 s ALA 82 Cb -0.16 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3kr6 s ALA 82 CO -0.02 -0.02 1.39 -1.25 0.00 0.00 0.00 175.76 175.86 3kr6 s PRO 83 N -1.38 4.31 0.23 0.00 0.04 -1.26 -4.67 135.00 132.27 3kr6 s PRO 83 Ca 0.44 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.43 3kr6 s PRO 83 Cb -0.29 -3.36 0.38 0.00 0.04 0.00 0.00 34.50 31.26 3kr6 s PRO 83 CO 0.37 -0.47 1.67 -0.92 0.04 0.00 0.00 177.00 177.69 3kr6 h TYR 84 N 7.14 0.12 -0.65 0.56 3.20 -1.98 -1.42 116.97 123.93 3kr6 h TYR 84 Ca -0.41 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.52 3kr6 h TYR 84 Cb 1.20 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 3kr6 h TYR 84 CO 0.69 -0.12 0.43 0.38 -1.64 0.00 0.00 178.16 177.90 3kr6 h ASP 85 N 0.19 0.72 0.83 -2.11 2.03 -1.99 0.44 116.42 116.53 3kr6 h ASP 85 Ca 0.37 -0.02 -0.24 0.00 -0.73 0.00 0.00 57.03 56.41 3kr6 h ASP 85 Cb 0.61 -0.18 -0.03 0.00 -0.83 0.00 0.00 39.33 38.90 3kr6 h ASP 85 CO -0.52 0.52 -1.20 -0.07 -1.03 0.00 0.00 179.24 176.94 3kr6 h LEU 86 N 0.85 0.06 -0.24 0.15 3.38 -1.79 -3.29 115.31 114.42 3kr6 h LEU 86 Ca 0.25 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 3kr6 h LEU 86 Cb -0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kr6 h LEU 86 CO -0.06 1.06 -0.47 0.58 0.09 0.00 0.00 178.44 179.64 3kr6 h VAL 87 N 0.01 1.30 0.00 1.22 2.07 -0.73 -3.28 116.25 116.84 3kr6 h VAL 87 Ca -0.09 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.75 3kr6 h VAL 87 Cb 1.85 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3kr6 h VAL 87 CO 0.13 0.53 0.00 0.50 0.02 0.00 0.00 177.57 178.75 3kr6 h LYS 88 N 0.46 0.00 0.00 1.57 1.63 -1.04 -3.22 116.57 115.97 3kr6 h LYS 88 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3kr6 h LYS 88 Cb 1.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 3kr6 h LYS 88 CO 0.10 0.00 -0.17 -2.37 -3.45 0.00 0.00 179.45 173.57 3kr6 n THR 89 N -2.77 0.09 -4.08 1.00 5.66 -1.24 -3.30 114.28 109.64 3kr6 n THR 89 Ca 0.03 -0.05 -0.12 0.00 -3.05 0.00 0.00 64.05 60.86 3kr6 n THR 89 Cb 0.36 -0.30 -0.06 0.00 -1.55 0.00 0.00 70.33 68.78 3kr6 n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kr6 s MET 90 N -3.02 1.60 -0.05 1.09 0.23 -1.22 -3.69 119.30 114.24 3kr6 s MET 90 Ca 0.12 -1.54 -0.07 0.00 -1.03 0.00 0.00 55.69 53.18 3kr6 s MET 90 Cb 0.18 0.41 -0.29 0.00 -1.53 0.00 0.00 34.83 33.60 3kr6 s MET 90 CO 0.59 -0.64 0.66 -0.09 -2.03 0.00 0.00 175.02 173.51 3kr6 h ARG 91 N 2.28 0.31 -0.10 3.16 9.65 -1.80 0.07 114.38 127.95 3kr6 h ARG 91 Ca -0.29 -0.53 0.03 0.00 -1.10 0.00 0.00 59.98 58.09 3kr6 h ARG 91 Cb 1.25 0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 30.02 3kr6 h ARG 91 CO 0.41 1.20 0.26 0.00 2.80 0.00 0.00 179.97 184.64 3kr6 h ALA 92 N 0.26 1.49 -0.20 2.80 0.00 -1.92 -2.50 119.26 119.19 3kr6 h ALA 92 Ca -0.33 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3kr6 h ALA 92 Cb 2.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 3kr6 h ALA 92 CO 0.15 -0.31 0.19 0.66 0.00 0.00 0.00 179.25 179.94 3kr6 h SER 93 N 0.00 0.00 0.01 0.00 4.64 -1.84 -0.63 113.55 115.73 3kr6 h SER 93 Ca 0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3kr6 h SER 93 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3kr6 h SER 93 CO -0.00 0.00 -0.00 -0.29 -0.87 0.00 0.00 176.83 175.66 3kr6 h ILE 94 N 0.00 0.60 0.00 0.95 6.09 -1.76 -1.89 117.51 121.50 3kr6 h ILE 94 Ca 0.09 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.56 3kr6 h ILE 94 Cb 0.47 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.77 3kr6 h ILE 94 CO -0.00 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.87 3kr6 n TRP 95 N -3.94 0.00 0.16 2.19 8.01 -0.24 -2.22 117.44 121.39 3kr6 n TRP 95 Ca -0.03 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.20 3kr6 n TRP 95 Cb 0.09 -0.23 0.17 0.00 -2.01 0.00 0.00 31.31 29.33 3kr6 n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3kr6 h ALA 96 N 2.86 0.80 0.24 6.99 0.00 -1.53 -3.38 119.26 125.24 3kr6 h ALA 96 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3kr6 h ALA 96 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kr6 h ALA 96 CO 0.00 0.57 -0.11 1.25 0.00 0.00 0.00 179.25 180.96 3kr6 h LEU 97 N 0.00 -0.27 -0.24 0.00 5.85 -1.65 -2.82 115.31 116.18 3kr6 h LEU 97 Ca -0.00 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3kr6 h LEU 97 Cb 1.18 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3kr6 h LEU 97 CO 0.06 -0.07 0.14 1.23 -0.34 0.00 0.00 178.44 179.46 3kr6 h GLY 98 N -0.46 0.33 1.27 3.75 0.00 -1.77 -1.60 103.07 104.59 3kr6 h GLY 98 Ca -0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3kr6 h GLY 98 CO 0.05 0.10 0.12 -2.55 0.00 0.00 0.00 176.54 174.27 3kr6 h PRO 99 N 0.30 0.91 -0.30 4.80 0.11 -1.74 0.14 132.00 136.22 3kr6 h PRO 99 Ca 0.09 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 3kr6 h PRO 99 Cb -0.01 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3kr6 h PRO 99 CO -0.04 0.83 0.08 -0.07 -0.21 0.00 0.00 178.00 178.59 3kr6 h LEU 100 N 0.87 0.45 -0.65 2.35 3.38 -1.26 -0.49 115.31 119.95 3kr6 h LEU 100 Ca 0.19 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3kr6 h LEU 100 Cb 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kr6 h LEU 100 CO 0.00 0.56 -0.23 1.62 0.09 0.00 0.00 178.44 180.48 3kr6 h VAL 101 N 0.32 1.27 -0.42 1.22 3.04 -1.06 0.76 116.25 121.38 3kr6 h VAL 101 Ca 0.09 -1.35 -0.12 0.00 -1.01 0.00 0.00 66.70 64.31 3kr6 h VAL 101 Cb 0.28 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 3kr6 h VAL 101 CO 0.00 0.45 -0.21 0.00 -1.01 0.00 0.00 177.57 176.81 3kr6 h ALA 102 N 1.03 0.84 0.07 3.17 0.00 -0.82 -0.89 119.26 122.66 3kr6 h ALA 102 Ca 0.10 -0.37 -0.36 0.00 0.00 0.00 0.00 54.91 54.28 3kr6 h ALA 102 Cb 0.75 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3kr6 h ALA 102 CO 0.06 0.64 -2.10 -2.13 0.00 0.00 0.00 179.25 175.73 3kr6 n ARG 103 N -4.12 0.71 0.00 0.00 0.63 -0.21 -4.62 116.66 109.05 3kr6 n ARG 103 Ca 0.00 0.22 0.05 0.00 -0.92 0.00 0.00 57.85 57.20 3kr6 n ARG 103 Cb 0.43 -1.66 -0.04 0.00 0.45 0.00 0.00 32.46 31.64 3kr6 n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kr6 n PHE 104 N -3.30 0.00 -0.68 -0.14 3.01 0.24 -5.00 117.46 111.59 3kr6 n PHE 104 Ca -0.33 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.13 3kr6 n PHE 104 Cb 1.04 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 3kr6 n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kr6 n GLY 105 N 1.14 0.82 3.51 1.37 0.00 -0.34 -4.98 105.19 106.71 3kr6 n GLY 105 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3kr6 n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kr6 s GLN 106 N -0.32 0.96 -0.21 1.61 -2.07 -1.23 -1.31 119.66 117.08 3kr6 s GLN 106 Ca 0.00 -0.01 -0.27 0.00 -1.82 0.00 0.00 55.36 53.26 3kr6 s GLN 106 Cb 0.00 0.45 0.11 0.00 -1.09 0.00 0.00 33.01 32.48 3kr6 s GLN 106 CO 0.00 -0.35 0.96 0.20 -1.32 0.00 0.00 175.29 174.78 3kr6 s GLY 107 N -1.70 -0.27 -0.06 2.60 0.00 -0.50 -3.56 107.32 103.84 3kr6 s GLY 107 Ca -0.04 2.26 -0.00 0.00 0.00 0.00 0.00 44.72 46.94 3kr6 s GLY 107 CO 0.00 1.45 -0.02 1.20 0.00 0.00 0.00 173.10 175.73 3kr6 s GLN 108 N -0.38 0.72 -0.04 2.90 1.11 -0.19 -0.64 119.66 123.14 3kr6 s GLN 108 Ca -0.00 0.00 -0.02 0.00 0.01 0.00 0.00 55.36 55.35 3kr6 s GLN 108 Cb -0.03 -0.92 0.03 0.00 -1.01 0.00 0.00 33.01 31.08 3kr6 s GLN 108 CO -0.01 -0.20 0.09 0.08 0.01 0.00 0.00 175.29 175.25 3kr6 s VAL 109 N 1.47 -0.04 0.85 1.09 1.01 -0.61 -1.24 120.40 122.94 3kr6 s VAL 109 Ca -0.02 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3kr6 s VAL 109 Cb -0.13 -0.15 0.10 0.00 0.00 0.00 0.00 36.38 36.20 3kr6 s VAL 109 CO -0.03 0.05 1.10 -0.44 0.00 0.00 0.00 175.10 175.78 3kr6 s SER 110 N 0.75 3.84 0.35 3.32 0.01 -1.26 -0.10 113.70 120.61 3kr6 s SER 110 Ca -0.06 1.74 -0.29 0.00 1.31 0.00 0.00 55.95 58.66 3kr6 s SER 110 Cb -0.08 -2.40 -0.11 0.00 0.21 0.00 0.00 66.02 63.64 3kr6 s SER 110 CO -0.03 -2.45 1.53 -0.76 0.41 0.00 0.00 173.24 171.94 3kr6 s LEU 111 N -6.15 4.33 1.12 2.44 1.43 -0.82 -4.79 118.68 116.24 3kr6 s LEU 111 Ca 0.63 3.02 -0.18 0.00 -1.03 0.00 0.00 54.13 56.56 3kr6 s LEU 111 Cb -0.18 -3.66 0.26 0.00 0.03 0.00 0.00 46.19 42.64 3kr6 s LEU 111 CO 0.57 -0.89 1.19 -2.16 0.23 0.00 0.00 176.35 175.29 3kr6 s PRO 112 N -1.52 -0.59 0.00 1.29 0.04 -1.26 -4.62 135.00 128.34 3kr6 s PRO 112 Ca 0.57 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.40 3kr6 s PRO 112 Cb -0.47 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3kr6 s PRO 112 CO 0.58 -3.27 0.00 0.41 0.04 0.00 0.00 177.00 174.76 3kr6 n GLY 113 N -1.98 3.58 0.88 0.56 0.00 0.01 -4.91 105.19 103.33 3kr6 n GLY 113 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3kr6 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr6 n GLY 114 N 3.41 1.28 2.36 -0.02 0.00 -1.23 -2.81 105.19 108.17 3kr6 n GLY 114 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3kr6 n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr6 n THR 116 N -2.00 -0.27 -0.70 2.61 -2.24 -1.26 -4.91 114.28 105.51 3kr6 n THR 116 Ca 0.00 -3.46 0.07 0.00 -2.27 0.00 0.00 64.05 58.38 3kr6 n THR 116 Cb 0.00 -0.19 0.13 0.00 -2.10 0.00 0.00 70.33 68.17 3kr6 n THR 116 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3kr6 n ILE 117 N 0.79 1.66 0.00 2.28 -5.35 -1.26 -4.93 119.36 112.55 3kr6 n ILE 117 Ca 0.18 -1.75 0.00 0.00 -0.27 0.00 0.00 62.75 60.91 3kr6 n ILE 117 Cb 0.63 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 3kr6 n ILE 117 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kr6 n GLY 118 N -0.81 -0.64 0.17 3.28 0.00 -1.26 -1.41 105.19 104.52 3kr6 n GLY 118 Ca 0.13 -1.19 0.02 0.00 0.00 0.00 0.00 46.02 44.98 3kr6 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr6 h ALA 119 N 0.00 1.16 -6.63 4.61 0.00 -1.99 -3.48 119.26 112.93 3kr6 h ALA 119 Ca 0.00 -0.40 -0.48 0.00 0.00 0.00 0.00 54.91 54.02 3kr6 h ALA 119 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kr6 h ALA 119 CO 0.00 0.56 -0.96 0.54 0.00 0.00 0.00 179.25 179.39 3kr6 n ARG 120 N -3.85 -1.02 -1.24 0.00 1.74 -1.26 -4.96 116.66 106.07 3kr6 n ARG 120 Ca -0.01 0.53 -0.29 0.00 -0.77 0.00 0.00 57.85 57.31 3kr6 n ARG 120 Cb 0.49 -2.92 0.19 0.00 -1.02 0.00 0.00 32.46 29.20 3kr6 n ARG 120 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kr6 s PRO 121 N -5.82 0.07 -0.12 5.56 0.04 -1.26 -4.98 135.00 128.49 3kr6 s PRO 121 Ca 0.25 0.27 0.14 0.00 0.04 0.00 0.00 61.00 61.70 3kr6 s PRO 121 Cb -0.12 -1.72 0.32 0.00 0.04 0.00 0.00 34.50 33.02 3kr6 s PRO 121 CO 0.91 -2.92 1.16 1.33 0.04 0.00 0.00 177.00 177.52 3kr6 n VAL 122 N -4.26 1.46 -0.06 -0.36 0.24 -1.26 -4.83 118.33 109.26 3kr6 n VAL 122 Ca 0.08 -2.14 0.09 0.00 -2.04 0.00 0.00 64.34 60.33 3kr6 n VAL 122 Cb 0.58 0.06 0.47 0.00 -1.47 0.00 0.00 33.84 33.48 3kr6 n VAL 122 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3kr6 h ASP 123 N 0.54 0.41 0.62 -1.34 2.03 -1.99 -1.41 116.42 115.28 3kr6 h ASP 123 Ca -0.04 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.15 3kr6 h ASP 123 Cb 1.20 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 3kr6 h ASP 123 CO 0.02 0.26 -0.57 -0.07 -1.03 0.00 0.00 179.24 177.85 3kr6 h LEU 124 N 0.47 0.00 -0.26 0.15 3.38 -1.99 0.87 115.31 117.93 3kr6 h LEU 124 Ca 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 3kr6 h LEU 124 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kr6 h LEU 124 CO -0.07 0.57 -0.23 0.45 0.09 0.00 0.00 178.44 179.25 3kr6 h HIS 125 N 0.00 0.74 -0.16 1.13 3.86 -1.62 -1.54 115.15 117.56 3kr6 h HIS 125 Ca -0.01 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 58.98 3kr6 h HIS 125 Cb 1.03 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 3kr6 h HIS 125 CO 0.00 0.92 0.05 0.82 0.86 0.00 0.00 177.93 180.58 3kr6 h ILE 126 N 0.34 1.19 -0.77 2.45 2.04 -1.20 -1.84 117.51 119.73 3kr6 h ILE 126 Ca 0.05 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 3kr6 h ILE 126 Cb 0.78 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 3kr6 h ILE 126 CO 0.06 0.18 0.47 -1.28 0.00 0.00 0.00 178.15 177.58 3kr6 h SER 127 N 0.08 0.92 -0.47 1.72 0.87 -0.84 -0.30 113.55 115.53 3kr6 h SER 127 Ca 0.05 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3kr6 h SER 127 Cb 0.24 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3kr6 h SER 127 CO -0.00 0.70 0.15 1.23 -0.53 0.00 0.00 176.83 178.38 3kr6 h GLY 128 N 1.05 0.79 1.27 5.77 0.00 -1.15 -0.79 103.07 110.02 3kr6 h GLY 128 Ca 0.28 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 3kr6 h GLY 128 CO -0.05 0.44 -0.08 1.41 0.00 0.00 0.00 176.54 178.25 3kr6 h LEU 129 N 0.63 0.85 -0.91 3.11 3.38 -1.06 -2.21 115.31 119.10 3kr6 h LEU 129 Ca 0.15 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3kr6 h LEU 129 Cb 0.27 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3kr6 h LEU 129 CO -0.01 0.96 0.40 -0.33 0.09 0.00 0.00 178.44 179.56 3kr6 h GLU 130 N 0.78 1.18 0.00 1.13 5.08 -0.80 -1.24 114.58 120.72 3kr6 h GLU 130 Ca 0.13 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3kr6 h GLU 130 Cb 0.59 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3kr6 h GLU 130 CO 0.04 0.90 -0.10 1.96 -1.00 0.00 0.00 179.01 180.81 3kr6 h GLN 131 N 1.17 0.00 -0.03 2.33 4.20 -0.69 -1.27 115.11 120.82 3kr6 h GLN 131 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3kr6 h GLN 131 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3kr6 h GLN 131 CO -0.04 0.10 0.00 1.28 -0.67 0.00 0.00 178.83 179.51 3kr6 n LEU 132 N -3.36 1.07 0.00 1.46 4.77 -0.74 -4.68 117.00 115.51 3kr6 n LEU 132 Ca -0.01 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3kr6 n LEU 132 Cb 0.29 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3kr6 n LEU 132 CO 0.29 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3kr6 n GLY 133 N 1.10 0.70 3.78 -0.72 0.00 -0.48 -0.08 105.19 109.50 3kr6 n GLY 133 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3kr6 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr6 s ALA 134 N -2.00 3.18 -0.20 4.61 0.00 -0.55 -4.81 121.76 122.00 3kr6 s ALA 134 Ca 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.41 3kr6 s ALA 134 Cb 0.00 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 3kr6 s ALA 134 CO 0.00 0.10 0.14 0.99 0.00 0.00 0.00 175.76 176.99 3kr6 s THR 135 N -1.67 5.40 -0.03 0.00 2.01 0.62 -4.14 115.64 117.83 3kr6 s THR 135 Ca 0.52 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.77 3kr6 s THR 135 Cb -0.19 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 3kr6 s THR 135 CO 0.24 0.43 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.84 3kr6 s ILE 136 N 0.42 1.05 0.02 1.82 1.01 -1.26 -0.99 121.20 123.27 3kr6 s ILE 136 Ca 0.08 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3kr6 s ILE 136 Cb -0.11 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 3kr6 s ILE 136 CO -0.01 0.31 -0.08 -1.59 0.00 0.00 0.00 174.94 173.57 3kr6 s LYS 137 N 0.08 0.56 -0.21 2.79 -2.85 -0.29 -4.98 119.74 114.83 3kr6 s LYS 137 Ca -0.02 -0.50 -0.08 0.00 -1.00 0.00 0.00 55.97 54.37 3kr6 s LYS 137 Cb -0.09 -0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 35.18 3kr6 s LYS 137 CO 0.01 0.11 0.08 -1.17 0.10 0.00 0.00 175.35 174.48 3kr6 s LEU 138 N -0.84 3.73 -0.18 2.77 2.96 -1.26 -0.48 118.68 125.38 3kr6 s LEU 138 Ca -0.03 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 3kr6 s LEU 138 Cb -0.06 -1.97 0.08 0.00 0.50 0.00 0.00 46.19 44.74 3kr6 s LEU 138 CO 0.00 0.09 0.41 -1.83 -1.32 0.00 0.00 176.35 173.70 3kr6 s GLU 139 N 0.86 0.34 -1.44 1.98 -1.05 -0.55 -4.90 118.70 113.93 3kr6 s GLU 139 Ca 0.04 0.92 -0.10 0.00 -0.15 0.00 0.00 54.97 55.69 3kr6 s GLU 139 Cb -0.14 0.17 0.05 0.00 -0.44 0.00 0.00 34.13 33.78 3kr6 s GLU 139 CO 0.03 -0.22 0.99 0.39 0.95 0.00 0.00 175.26 177.40 3kr6 n GLU 140 N 4.97 -6.11 -0.39 -4.83 1.02 -1.26 -1.85 120.64 112.19 3kr6 n GLU 140 Ca -0.14 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3kr6 n GLU 140 Cb 0.52 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.38 3kr6 n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kr6 n GLY 141 N -1.73 2.11 3.79 0.62 0.00 -1.26 -5.02 105.19 103.70 3kr6 n GLY 141 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3kr6 n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kr6 s TYR 142 N -3.29 3.50 -0.31 1.61 1.51 -0.77 -1.94 117.35 117.66 3kr6 s TYR 142 Ca 0.00 0.48 -0.20 0.00 -1.01 0.00 0.00 57.07 56.34 3kr6 s TYR 142 Cb 0.00 -2.12 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 3kr6 s TYR 142 CO 0.00 0.46 0.64 0.08 -1.11 0.00 0.00 175.55 175.62 3kr6 s VAL 143 N -0.18 4.92 -0.24 0.71 1.01 0.86 -1.49 120.40 126.00 3kr6 s VAL 143 Ca 0.13 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.93 3kr6 s VAL 143 Cb -0.12 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3kr6 s VAL 143 CO 0.02 -0.16 -0.02 -0.54 0.00 0.00 0.00 175.10 174.40 3kr6 s LYS 144 N 2.64 3.20 0.07 2.72 1.02 0.37 -1.57 119.74 128.19 3kr6 s LYS 144 Ca 0.26 -0.75 0.09 0.00 0.02 0.00 0.00 55.97 55.59 3kr6 s LYS 144 Cb -0.15 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3kr6 s LYS 144 CO 0.12 -0.29 -0.22 0.00 -0.92 0.00 0.00 175.35 174.04 3kr6 s ALA 145 N 1.45 2.46 0.11 5.17 0.00 0.18 -1.14 121.76 130.00 3kr6 s ALA 145 Ca 0.04 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 3kr6 s ALA 145 Cb -0.15 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.42 3kr6 s ALA 145 CO -0.02 0.56 0.40 -1.54 0.00 0.00 0.00 175.76 175.15 3kr6 s SER 146 N -1.56 -0.23 -0.19 0.00 1.04 -0.16 -1.41 113.70 111.19 3kr6 s SER 146 Ca 0.14 -0.29 -0.19 0.00 0.48 0.00 0.00 55.95 56.10 3kr6 s SER 146 Cb -0.10 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.53 3kr6 s SER 146 CO 0.05 -0.83 0.53 0.54 0.98 0.00 0.00 173.24 174.51 3kr6 s VAL 147 N -3.64 0.00 -0.42 5.02 0.11 -0.43 -0.28 120.40 120.77 3kr6 s VAL 147 Ca 0.02 -0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 3kr6 s VAL 147 Cb 0.02 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 3kr6 s VAL 147 CO -0.11 -0.01 0.53 -0.62 -3.33 0.00 0.00 175.10 171.57 3kr6 s ASP 148 N 0.21 6.26 0.00 3.54 3.68 -1.26 -4.63 116.67 124.47 3kr6 s ASP 148 Ca -0.01 -0.44 0.00 0.00 2.13 0.00 0.00 52.55 54.24 3kr6 s ASP 148 Cb -0.04 -2.27 0.00 0.00 -1.45 0.00 0.00 42.92 39.17 3kr6 s ASP 148 CO 0.01 -0.64 0.00 0.61 0.13 0.00 0.00 175.17 175.28 3kr6 n GLY 149 N 5.03 -1.73 3.84 2.66 0.00 -1.26 -4.94 105.19 108.79 3kr6 n GLY 149 Ca -0.05 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3kr6 n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kr6 s ARG 150 N 0.00 3.84 0.89 1.61 0.52 -1.26 -4.81 118.95 119.75 3kr6 s ARG 150 Ca 0.00 0.93 -0.11 0.00 -0.52 0.00 0.00 55.73 56.03 3kr6 s ARG 150 Cb 0.00 -2.12 0.13 0.00 0.52 0.00 0.00 34.95 33.48 3kr6 s ARG 150 CO 0.00 -0.36 1.09 -0.51 0.02 0.00 0.00 175.30 175.54 3kr6 s LEU 151 N -4.30 2.38 -0.06 2.53 1.43 -1.26 -4.82 118.68 114.58 3kr6 s LEU 151 Ca 0.58 1.66 0.05 0.00 -1.03 0.00 0.00 54.13 55.39 3kr6 s LEU 151 Cb -0.10 -4.09 -0.00 0.00 0.03 0.00 0.00 46.19 42.02 3kr6 s LEU 151 CO 0.36 -2.71 -0.20 -0.54 0.23 0.00 0.00 176.35 173.49 3kr6 s LYS 152 N -4.85 2.22 0.54 1.70 1.02 0.89 -0.32 119.74 120.93 3kr6 s LYS 152 Ca 0.64 -0.73 -0.21 0.00 0.02 0.00 0.00 55.97 55.68 3kr6 s LYS 152 Cb -0.19 -1.85 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 3kr6 s LYS 152 CO 0.58 0.26 1.14 0.41 -0.92 0.00 0.00 175.35 176.81 3kr6 n GLY 153 N 3.19 0.15 3.27 -3.33 0.00 0.65 -4.46 105.19 104.66 3kr6 n GLY 153 Ca -0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3kr6 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr6 s ALA 154 N -1.37 -0.62 -0.46 4.61 0.00 -1.08 -4.77 121.76 118.07 3kr6 s ALA 154 Ca 0.71 -0.28 -0.20 0.00 0.00 0.00 0.00 51.96 52.19 3kr6 s ALA 154 Cb -0.45 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3kr6 s ALA 154 CO 0.50 -0.57 0.64 -1.58 0.00 0.00 0.00 175.76 174.75 3kr6 s HIS 155 N -3.73 3.06 -0.26 0.00 2.46 -1.26 -1.66 115.29 113.89 3kr6 s HIS 155 Ca 0.03 -0.18 -0.05 0.00 0.47 0.00 0.00 55.06 55.33 3kr6 s HIS 155 Cb 0.03 -3.39 0.00 0.00 -0.13 0.00 0.00 32.58 29.10 3kr6 s HIS 155 CO -0.11 -0.91 0.02 0.42 -2.47 0.00 0.00 174.74 171.68 3kr6 s ILE 156 N 2.79 3.62 -0.49 0.89 1.01 0.50 -4.96 121.20 124.56 3kr6 s ILE 156 Ca 0.21 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 3kr6 s ILE 156 Cb -0.15 -2.79 0.11 0.00 0.01 0.00 0.00 42.46 39.64 3kr6 s ILE 156 CO 0.17 0.22 0.41 -0.69 0.00 0.00 0.00 174.94 175.05 3kr6 s VAL 157 N 1.47 4.87 0.12 2.92 1.01 -1.26 -0.29 120.40 129.24 3kr6 s VAL 157 Ca 0.03 -1.46 -0.31 0.00 0.00 0.00 0.00 61.98 60.24 3kr6 s VAL 157 Cb -0.16 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 3kr6 s VAL 157 CO -0.00 -0.74 1.60 -0.04 0.00 0.00 0.00 175.10 175.91 3kr6 s MET 158 N 1.53 4.21 0.00 2.72 1.00 -0.66 -4.88 119.30 123.22 3kr6 s MET 158 Ca 0.04 2.34 0.17 0.00 0.00 0.00 0.00 55.69 58.23 3kr6 s MET 158 Cb -0.27 -3.34 0.67 0.00 0.00 0.00 0.00 34.83 31.89 3kr6 s MET 158 CO 0.03 -0.65 1.48 -0.40 0.00 0.00 0.00 175.02 175.47 3kr6 n ASP 159 N 4.63 1.28 -3.68 3.03 5.68 -1.26 -4.75 116.55 121.48 3kr6 n ASP 159 Ca 0.15 -1.74 -0.14 0.00 -0.50 0.00 0.00 54.79 52.56 3kr6 n ASP 159 Cb 0.39 -0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 40.18 3kr6 n ASP 159 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3kr6 s LYS 160 N -1.79 0.67 -0.01 0.11 2.20 -1.26 -5.14 119.74 114.52 3kr6 s LYS 160 Ca 0.27 0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 3kr6 s LYS 160 Cb 0.14 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.75 3kr6 s LYS 160 CO 0.21 -0.10 1.09 0.08 -0.36 0.00 0.00 175.35 176.27 3kr6 s VAL 161 N 0.09 4.51 -0.08 4.02 1.01 -1.26 -5.01 120.40 123.68 3kr6 s VAL 161 Ca -0.02 1.80 -0.03 0.00 0.00 0.00 0.00 61.98 63.74 3kr6 s VAL 161 Cb -0.04 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.23 3kr6 s VAL 161 CO 0.02 0.09 0.15 -0.55 0.00 0.00 0.00 175.10 174.81 3kr6 s SER 162 N 1.12 0.60 0.08 3.32 0.15 -1.26 -5.02 113.70 112.69 3kr6 s SER 162 Ca 0.54 0.30 -0.33 0.00 0.70 0.00 0.00 55.95 57.17 3kr6 s SER 162 Cb -0.24 0.22 -0.17 0.00 -1.71 0.00 0.00 66.02 64.12 3kr6 s SER 162 CO 0.26 -0.22 1.62 0.58 1.20 0.00 0.00 173.24 176.67 3kr6 h VAL 163 N 6.31 0.29 -0.69 4.45 2.07 -1.95 -1.77 116.25 124.97 3kr6 h VAL 163 Ca -0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kr6 h VAL 163 Cb 1.12 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3kr6 h VAL 163 CO 0.21 0.00 0.41 1.23 0.02 0.00 0.00 177.57 179.43 3kr6 h GLY 164 N -0.87 1.00 1.63 2.17 0.00 -2.00 -2.18 103.07 102.81 3kr6 h GLY 164 Ca -0.07 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 3kr6 h GLY 164 CO 0.08 0.41 -0.44 0.00 0.00 0.00 0.00 176.54 176.58 3kr6 h ALA 165 N 1.21 0.93 -0.55 3.60 0.00 -1.92 -1.22 119.26 121.31 3kr6 h ALA 165 Ca 0.25 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kr6 h ALA 165 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3kr6 h ALA 165 CO -0.05 0.64 0.35 1.15 0.00 0.00 0.00 179.25 181.34 3kr6 h THR 166 N 0.33 1.10 -0.26 0.00 2.02 -1.03 -0.78 112.91 114.30 3kr6 h THR 166 Ca 0.02 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3kr6 h THR 166 Cb 0.91 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3kr6 h THR 166 CO 0.08 0.13 0.15 0.58 0.37 0.00 0.00 175.52 176.82 3kr6 h VAL 167 N 0.70 1.11 -0.29 3.16 2.07 -1.08 -0.21 116.25 121.71 3kr6 h VAL 167 Ca 0.21 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3kr6 h VAL 167 Cb -0.04 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3kr6 h VAL 167 CO -0.07 0.11 0.10 0.74 0.02 0.00 0.00 177.57 178.47 3kr6 h THR 168 N 0.31 0.92 -0.26 2.57 2.02 -0.88 -0.54 112.91 117.05 3kr6 h THR 168 Ca 0.09 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 3kr6 h THR 168 Cb 0.04 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3kr6 h THR 168 CO -0.02 0.04 -0.02 0.40 0.37 0.00 0.00 175.52 176.29 3kr6 h ILE 169 N 0.23 1.27 -0.41 3.11 2.04 -1.06 -1.89 117.51 120.80 3kr6 h ILE 169 Ca 0.13 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.01 3kr6 h ILE 169 Cb 0.10 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3kr6 h ILE 169 CO -0.13 0.31 0.27 -0.03 0.00 0.00 0.00 178.15 178.57 3kr6 h MET 170 N 0.25 0.53 -0.32 2.37 4.05 -0.85 -0.55 114.93 120.42 3kr6 h MET 170 Ca 0.07 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 3kr6 h MET 170 Cb 0.47 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 3kr6 h MET 170 CO 0.02 0.35 0.01 0.00 0.23 0.00 0.00 176.91 177.52 3kr6 h ALA 172 N 0.85 1.23 0.00 0.00 0.00 -1.19 -2.63 119.26 117.52 3kr6 h ALA 172 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kr6 h ALA 172 Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kr6 h ALA 172 CO 0.01 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.71 3kr6 h ALA 173 N 1.40 1.12 0.00 0.00 0.00 -0.96 -2.75 119.26 118.07 3kr6 h ALA 173 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kr6 h ALA 173 Cb 0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kr6 h ALA 173 CO 0.03 0.06 -0.04 1.79 0.00 0.00 0.00 179.25 181.10 3kr6 h THR 174 N 0.00 0.27 -0.20 0.00 1.35 -1.35 -2.20 112.91 110.78 3kr6 h THR 174 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3kr6 h THR 174 Cb 0.29 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3kr6 h THR 174 CO 0.01 0.04 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 3kr6 n LEU 175 N -3.40 2.49 -4.85 3.87 4.77 -1.04 -0.96 117.00 117.88 3kr6 n LEU 175 Ca -0.02 -1.55 -0.30 0.00 -0.03 0.00 0.00 56.01 54.11 3kr6 n LEU 175 Cb 0.16 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3kr6 n LEU 175 CO 0.26 0.57 0.73 0.00 -1.33 0.00 0.00 177.39 177.62 3kr6 s ALA 176 N -0.97 2.68 -0.30 -1.18 0.00 -0.83 -4.55 121.76 116.61 3kr6 s ALA 176 Ca 0.19 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 3kr6 s ALA 176 Cb 0.11 -3.07 -0.00 0.00 0.00 0.00 0.00 23.12 20.16 3kr6 s ALA 176 CO 0.15 -1.31 0.73 -2.00 0.00 0.00 0.00 175.76 173.33 3kr6 s GLU 177 N -5.25 3.97 0.00 0.00 2.12 0.56 -3.89 118.70 116.20 3kr6 s GLU 177 Ca 0.59 0.52 0.00 0.00 0.36 0.00 0.00 54.97 56.44 3kr6 s GLU 177 Cb -0.12 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.55 3kr6 s GLU 177 CO 0.53 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 3kr6 n GLY 178 N 4.23 -1.67 3.74 -1.50 0.00 -1.26 -0.25 105.19 108.48 3kr6 n GLY 178 Ca 0.02 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 3kr6 n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr6 s THR 179 N 0.00 4.91 -0.07 2.61 2.01 -1.26 -1.10 115.64 122.74 3kr6 s THR 179 Ca 0.00 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.02 3kr6 s THR 179 Cb 0.00 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 3kr6 s THR 179 CO 0.00 0.56 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.44 3kr6 s THR 180 N -0.50 2.89 -0.17 -0.82 2.01 0.33 -2.63 115.64 116.76 3kr6 s THR 180 Ca 0.10 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3kr6 s THR 180 Cb -0.12 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.28 3kr6 s THR 180 CO 0.02 0.57 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.77 3kr6 s ILE 181 N -0.34 1.56 -0.31 1.82 1.01 -0.66 -0.35 121.20 123.93 3kr6 s ILE 181 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 3kr6 s ILE 181 Cb -0.13 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3kr6 s ILE 181 CO 0.02 0.34 0.23 -0.63 0.00 0.00 0.00 174.94 174.90 3kr6 s ILE 182 N 1.47 5.28 0.08 2.92 1.01 0.65 -0.37 121.20 132.24 3kr6 s ILE 182 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3kr6 s ILE 182 Cb -0.14 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3kr6 s ILE 182 CO -0.10 0.11 0.20 -1.61 0.00 0.00 0.00 174.94 173.55 3kr6 s GLU 183 N 1.78 3.37 -1.41 2.79 0.41 0.60 -1.57 118.70 124.66 3kr6 s GLU 183 Ca 0.07 -0.50 -0.02 0.00 -0.41 0.00 0.00 54.97 54.11 3kr6 s GLU 183 Cb -0.17 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.20 3kr6 s GLU 183 CO 0.11 0.59 0.31 0.09 -0.49 0.00 0.00 175.26 175.87 3kr6 n ASN 184 N 0.19 -5.37 -4.76 -0.19 3.02 -0.21 -1.66 115.26 106.28 3kr6 n ASN 184 Ca -0.06 -0.15 -0.38 0.00 -0.03 0.00 0.00 54.58 53.97 3kr6 n ASN 184 Cb 0.52 -4.30 0.01 0.00 -0.61 0.00 0.00 39.78 35.39 3kr6 n ASN 184 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr6 s ALA 185 N -3.01 2.95 0.41 5.41 0.00 0.06 -4.55 121.76 123.02 3kr6 s ALA 185 Ca 0.15 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.94 3kr6 s ALA 185 Cb -0.07 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.52 3kr6 s ALA 185 CO 0.19 -0.89 1.19 0.00 0.00 0.00 0.00 175.76 176.24 3kr6 s ALA 186 N -1.45 3.15 -1.85 0.00 0.00 -1.26 -4.37 121.76 115.98 3kr6 s ALA 186 Ca 0.66 1.00 0.17 0.00 0.00 0.00 0.00 51.96 53.79 3kr6 s ALA 186 Cb -0.33 -3.40 0.30 0.00 0.00 0.00 0.00 23.12 19.69 3kr6 s ALA 186 CO 0.40 -0.59 1.22 0.54 0.00 0.00 0.00 175.76 177.33 3kr6 n ARG 187 N 0.02 2.07 -1.49 0.00 1.74 -1.26 -4.66 116.66 113.08 3kr6 n ARG 187 Ca 0.05 -1.93 -0.41 0.00 -0.77 0.00 0.00 57.85 54.79 3kr6 n ARG 187 Cb 0.46 -1.38 0.01 0.00 -1.02 0.00 0.00 32.46 30.54 3kr6 n ARG 187 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kr6 n GLU 188 N 1.04 0.71 0.07 5.56 4.71 -1.26 -4.52 120.64 126.95 3kr6 n GLU 188 Ca 0.14 0.26 0.16 0.00 -0.01 0.00 0.00 57.16 57.71 3kr6 n GLU 188 Cb 0.48 -1.66 0.66 0.00 -1.01 0.00 0.00 31.44 29.91 3kr6 n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3kr6 h PRO 189 N 0.83 0.03 0.00 3.49 0.11 -1.96 0.36 132.00 134.86 3kr6 h PRO 189 Ca -0.42 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3kr6 h PRO 189 Cb 1.39 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 3kr6 h PRO 189 CO 0.52 0.02 -0.25 0.93 -0.21 0.00 0.00 178.00 179.00 3kr6 h GLU 190 N 0.03 0.00 -0.12 1.05 3.07 -1.88 -0.03 114.58 116.70 3kr6 h GLU 190 Ca 0.18 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.81 3kr6 h GLU 190 Cb 0.69 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.61 3kr6 h GLU 190 CO -0.01 0.25 -0.83 0.82 -1.40 0.00 0.00 179.01 177.84 3kr6 h ILE 191 N 0.00 1.28 -0.49 3.13 1.08 -1.25 -0.61 117.51 120.64 3kr6 h ILE 191 Ca -0.00 -2.02 -0.02 0.00 -0.39 0.00 0.00 64.86 62.42 3kr6 h ILE 191 Cb 0.73 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 36.53 3kr6 h ILE 191 CO 0.03 0.64 0.21 0.58 -0.69 0.00 0.00 178.15 178.93 3kr6 h VAL 192 N 0.51 1.20 -0.69 1.67 2.07 -1.22 -0.06 116.25 119.72 3kr6 h VAL 192 Ca -0.07 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3kr6 h VAL 192 Cb 1.47 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3kr6 h VAL 192 CO 0.17 0.23 0.27 -0.78 0.02 0.00 0.00 177.57 177.48 3kr6 h ASP 193 N 0.65 0.95 -0.55 0.57 3.58 -0.92 -0.25 116.42 120.46 3kr6 h ASP 193 Ca 0.17 -0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 3kr6 h ASP 193 Cb 0.16 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 3kr6 h ASP 193 CO -0.02 0.87 -0.02 0.74 -2.88 0.00 0.00 179.24 177.93 3kr6 h THR 194 N 0.98 1.27 -0.63 2.25 2.02 -0.85 -0.99 112.91 116.96 3kr6 h THR 194 Ca 0.23 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 3kr6 h THR 194 Cb 0.21 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3kr6 h THR 194 CO -0.02 0.41 0.38 0.00 0.37 0.00 0.00 175.52 176.66 3kr6 h ALA 195 N 0.95 0.80 -0.09 6.16 0.00 -0.60 -0.91 119.26 125.57 3kr6 h ALA 195 Ca 0.15 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3kr6 h ALA 195 Cb 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kr6 h ALA 195 CO 0.03 0.27 -0.36 -0.91 0.00 0.00 0.00 179.25 178.28 3kr6 h ASN 196 N 0.85 0.18 -0.14 0.00 2.35 -0.75 -0.13 115.58 117.93 3kr6 h ASN 196 Ca 0.22 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3kr6 h ASN 196 Cb -0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3kr6 h ASN 196 CO -0.04 0.53 0.03 0.15 -1.65 0.00 0.00 177.43 176.45 3kr6 h PHE 197 N 0.15 0.25 -0.93 1.19 3.57 -0.83 -1.72 116.94 118.62 3kr6 h PHE 197 Ca 0.02 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3kr6 h PHE 197 Cb 0.72 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 3kr6 h PHE 197 CO 0.01 0.41 0.58 -0.07 -2.23 0.00 0.00 178.31 177.01 3kr6 h LEU 198 N 0.02 1.10 -1.08 0.59 3.38 -0.61 -1.56 115.31 117.15 3kr6 h LEU 198 Ca 0.04 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3kr6 h LEU 198 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kr6 h LEU 198 CO 0.00 0.83 0.06 0.40 0.09 0.00 0.00 178.44 179.82 3kr6 h ILE 199 N 1.28 1.22 -0.50 1.22 2.04 -0.92 -0.77 117.51 121.08 3kr6 h ILE 199 Ca 0.34 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3kr6 h ILE 199 Cb -0.08 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3kr6 h ILE 199 CO -0.07 0.30 0.32 0.74 0.00 0.00 0.00 178.15 179.44 3kr6 h THR 200 N 0.68 1.13 0.00 -0.27 2.02 -0.35 -0.37 112.91 115.76 3kr6 h THR 200 Ca 0.15 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3kr6 h THR 200 Cb 0.34 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3kr6 h THR 200 CO 0.01 0.13 0.00 0.18 0.37 0.00 0.00 175.52 176.21 3kr6 n LEU 201 N -4.45 0.00 0.00 2.58 4.77 -0.56 -4.73 117.00 114.61 3kr6 n LEU 201 Ca 0.04 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3kr6 n LEU 201 Cb 0.06 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3kr6 n LEU 201 CO 0.36 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3kr6 n GLY 202 N 1.24 0.98 3.82 -0.72 0.00 -0.15 -0.31 105.19 110.05 3kr6 n GLY 202 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3kr6 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr6 s ALA 203 N -2.00 2.73 -0.35 4.61 0.00 -0.40 -4.96 121.76 121.39 3kr6 s ALA 203 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.09 3kr6 s ALA 203 Cb 0.00 -3.18 0.09 0.00 0.00 0.00 0.00 23.12 20.03 3kr6 s ALA 203 CO 0.00 -1.08 0.08 0.15 0.00 0.00 0.00 175.76 174.91 3kr6 s LYS 204 N -4.85 2.01 -0.00 0.00 1.02 -1.26 -4.32 119.74 112.34 3kr6 s LYS 204 Ca 0.59 -1.64 0.01 0.00 0.02 0.00 0.00 55.97 54.95 3kr6 s LYS 204 Cb -0.14 -3.31 -0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3kr6 s LYS 204 CO 0.51 -0.87 -0.04 0.42 -0.92 0.00 0.00 175.35 174.45 3kr6 s ILE 205 N 1.11 0.30 0.07 2.17 1.01 -1.26 -0.76 121.20 123.83 3kr6 s ILE 205 Ca 0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 3kr6 s ILE 205 Cb -0.21 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 3kr6 s ILE 205 CO -0.04 0.07 0.11 -0.94 0.00 0.00 0.00 174.94 174.13 3kr6 s SER 206 N -0.14 0.24 0.00 3.58 1.04 -0.37 -4.89 113.70 113.16 3kr6 s SER 206 Ca 0.01 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3kr6 s SER 206 Cb -0.02 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3kr6 s SER 206 CO -0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3kr6 n GLY 207 N 0.16 0.98 3.72 7.32 0.00 -1.26 -0.77 105.19 115.34 3kr6 n GLY 207 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3kr6 n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr6 n GLN 208 N -2.00 2.49 0.00 1.61 0.00 -1.26 -0.92 117.38 117.30 3kr6 n GLN 208 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 57.00 57.88 3kr6 n GLN 208 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 30.24 27.62 3kr6 n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kr6 n GLY 209 N 1.94 0.96 3.78 2.61 0.00 -1.26 -4.91 105.19 108.31 3kr6 n GLY 209 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3kr6 n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kr6 s THR 210 N -2.25 1.79 -1.84 2.61 -4.23 -0.10 -4.77 115.64 106.85 3kr6 s THR 210 Ca 0.00 -1.75 0.26 0.00 -1.18 0.00 0.00 61.69 59.02 3kr6 s THR 210 Cb 0.00 -2.53 0.65 0.00 1.34 0.00 0.00 72.50 71.96 3kr6 s THR 210 CO 0.00 0.00 1.89 -0.90 -0.54 0.00 0.00 174.62 175.07 3kr6 n ASP 211 N -1.37 0.00 -3.79 3.99 3.85 -1.26 -4.61 116.55 113.37 3kr6 n ASP 211 Ca -0.07 -0.60 -0.27 0.00 -0.71 0.00 0.00 54.79 53.14 3kr6 n ASP 211 Cb 0.65 -0.08 -0.17 0.00 -1.35 0.00 0.00 41.12 40.18 3kr6 n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3kr6 s ARG 212 N -2.16 0.87 -0.14 0.11 3.52 -1.26 -0.76 118.95 119.13 3kr6 s ARG 212 Ca 0.35 -0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 55.53 3kr6 s ARG 212 Cb 0.18 -1.94 -0.03 0.00 -1.56 0.00 0.00 34.95 31.60 3kr6 s ARG 212 CO 0.32 -0.54 -0.05 0.42 -0.81 0.00 0.00 175.30 174.64 3kr6 s ILE 213 N 1.80 3.77 -0.17 4.11 1.01 -0.61 -4.38 121.20 126.74 3kr6 s ILE 213 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 3kr6 s ILE 213 Cb -0.16 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 3kr6 s ILE 213 CO -0.07 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.59 3kr6 s VAL 214 N 0.16 3.11 -0.11 2.92 1.01 0.05 -0.25 120.40 127.30 3kr6 s VAL 214 Ca -0.02 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3kr6 s VAL 214 Cb -0.14 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.89 3kr6 s VAL 214 CO 0.03 0.49 -0.23 -0.63 0.00 0.00 0.00 175.10 174.76 3kr6 s ILE 215 N 0.83 2.01 -0.31 2.22 1.09 0.52 -1.24 121.20 126.32 3kr6 s ILE 215 Ca -0.03 -0.98 -0.09 0.00 -1.10 0.00 0.00 60.65 58.45 3kr6 s ILE 215 Cb -0.15 -1.75 0.00 0.00 -1.06 0.00 0.00 42.46 39.50 3kr6 s ILE 215 CO 0.01 0.55 0.13 -0.70 -0.10 0.00 0.00 174.94 174.82 3kr6 s GLU 216 N 0.47 3.23 0.58 2.79 2.56 0.06 -0.51 118.70 127.87 3kr6 s GLU 216 Ca -0.16 -0.78 -0.20 0.00 0.00 0.00 0.00 54.97 53.83 3kr6 s GLU 216 Cb -0.17 -3.50 -0.04 0.00 2.00 0.00 0.00 34.13 32.42 3kr6 s GLU 216 CO 0.06 -0.44 1.25 0.20 -0.56 0.00 0.00 175.26 175.78 3kr6 s GLY 217 N 1.57 2.80 0.33 -1.50 0.00 -0.26 -4.01 107.32 106.25 3kr6 s GLY 217 Ca 0.04 1.11 0.05 0.00 0.00 0.00 0.00 44.72 45.92 3kr6 s GLY 217 CO 0.05 1.54 0.02 -1.34 0.00 0.00 0.00 173.10 173.37 3kr6 s VAL 218 N -1.49 1.45 0.14 1.40 -7.23 -0.13 -4.65 120.40 109.89 3kr6 s VAL 218 Ca 0.75 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 3kr6 s VAL 218 Cb -0.34 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 3kr6 s VAL 218 CO 0.38 -0.08 1.51 -0.08 -0.31 0.00 0.00 175.10 176.52 3kr6 h GLU 219 N 2.10 0.87 -2.73 4.82 4.81 -1.89 -3.39 114.58 119.17 3kr6 h GLU 219 Ca -0.41 -0.39 -0.05 0.00 -0.13 0.00 0.00 59.36 58.38 3kr6 h GLU 219 Cb 1.24 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.44 3kr6 h GLU 219 CO 0.71 1.03 0.11 -0.98 -0.73 0.00 0.00 179.01 179.15 3kr6 s ARG 220 N -4.62 1.11 0.05 1.92 1.70 -1.26 -5.00 118.95 112.85 3kr6 s ARG 220 Ca -0.12 -0.23 0.01 0.00 -0.47 0.00 0.00 55.73 54.92 3kr6 s ARG 220 Cb 0.11 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.96 3kr6 s ARG 220 CO 0.85 -0.42 0.10 -0.51 -1.08 0.00 0.00 175.30 174.24 3kr6 s LEU 221 N -2.09 3.92 0.00 -1.89 1.43 -1.26 -4.94 118.68 113.85 3kr6 s LEU 221 Ca -0.04 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3kr6 s LEU 221 Cb -0.00 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.73 3kr6 s LEU 221 CO -0.03 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3kr6 n GLY 222 N 0.67 1.17 0.00 -3.19 0.00 0.58 -0.92 105.19 103.51 3kr6 n GLY 222 Ca -0.09 -0.86 -0.00 0.00 0.00 0.00 0.00 46.02 45.07 3kr6 n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr6 n GLY 223 N 5.00 4.12 0.00 -0.02 0.00 -1.26 -3.05 105.19 109.99 3kr6 n GLY 223 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3kr6 n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr6 n GLY 224 N 2.73 -1.61 2.98 -0.02 0.00 -1.12 -4.29 105.19 103.86 3kr6 n GLY 224 Ca -0.00 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 3kr6 n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kr6 s VAL 225 N -2.72 0.93 -0.11 1.61 1.01 -1.26 -1.23 120.40 118.63 3kr6 s VAL 225 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 3kr6 s VAL 225 Cb 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.54 3kr6 s VAL 225 CO 0.00 0.31 0.29 -0.47 0.00 0.00 0.00 175.10 175.22 3kr6 s TYR 226 N 0.74 -0.33 -0.23 5.22 5.04 -0.43 -4.99 117.35 122.37 3kr6 s TYR 226 Ca -0.14 0.79 -0.08 0.00 -2.44 0.00 0.00 57.07 55.21 3kr6 s TYR 226 Cb -0.15 0.11 -0.04 0.00 0.35 0.00 0.00 41.96 42.23 3kr6 s TYR 226 CO 0.03 -0.17 0.08 0.50 -1.34 0.00 0.00 175.55 174.65 3kr6 s ARG 227 N 0.35 3.82 0.32 4.97 3.52 -1.26 0.12 118.95 130.79 3kr6 s ARG 227 Ca -0.02 -0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 3kr6 s ARG 227 Cb -0.03 -3.32 -0.10 0.00 -1.56 0.00 0.00 34.95 29.93 3kr6 s ARG 227 CO -0.01 -0.00 1.34 0.08 -0.81 0.00 0.00 175.30 175.90 3kr6 s VAL 228 N 1.14 2.64 0.87 7.11 1.01 -0.39 -4.94 120.40 127.85 3kr6 s VAL 228 Ca 0.05 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 3kr6 s VAL 228 Cb -0.14 -3.40 0.11 0.00 0.00 0.00 0.00 36.38 32.95 3kr6 s VAL 228 CO 0.04 0.14 1.09 -1.48 0.00 0.00 0.00 175.10 174.89 3kr6 s LEU 229 N -1.62 2.42 0.64 3.92 2.34 -1.26 -4.74 118.68 120.38 3kr6 s LEU 229 Ca 0.51 1.55 -0.18 0.00 0.06 0.00 0.00 54.13 56.07 3kr6 s LEU 229 Cb -0.41 -4.03 -0.01 0.00 -0.56 0.00 0.00 46.19 41.18 3kr6 s LEU 229 CO 0.53 -2.50 1.23 -2.84 -1.06 0.00 0.00 176.35 171.71 3kr6 s PRO 230 N -4.93 2.65 -0.57 1.48 0.02 -1.26 -0.65 135.00 131.74 3kr6 s PRO 230 Ca 0.63 1.87 -0.28 0.00 0.02 0.00 0.00 61.00 63.24 3kr6 s PRO 230 Cb -0.18 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.49 3kr6 s PRO 230 CO 0.57 -1.47 1.25 0.34 -0.33 0.00 0.00 177.00 177.36 3kr6 s ASP 231 N -1.65 6.38 0.41 2.53 -1.08 -0.19 -4.22 116.67 118.84 3kr6 s ASP 231 Ca 0.78 0.17 0.15 0.00 -0.52 0.00 0.00 52.55 53.13 3kr6 s ASP 231 Cb -0.32 -2.55 0.86 0.00 -1.46 0.00 0.00 42.92 39.45 3kr6 s ASP 231 CO 0.38 -1.53 1.89 0.08 0.52 0.00 0.00 175.17 176.51 3kr6 h ARG 232 N 9.90 0.00 0.07 4.34 0.11 -1.92 -1.34 114.38 125.54 3kr6 h ARG 232 Ca -0.25 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.57 3kr6 h ARG 232 Cb 1.07 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.15 3kr6 h ARG 232 CO 1.18 0.30 -1.10 0.82 0.10 0.00 0.00 179.97 181.27 3kr6 h ILE 233 N 0.00 1.43 -0.43 0.08 1.08 -1.95 0.56 117.51 118.28 3kr6 h ILE 233 Ca -0.00 -2.72 -0.05 0.00 -0.39 0.00 0.00 64.86 61.70 3kr6 h ILE 233 Cb 0.56 2.68 -0.02 0.00 -3.07 0.00 0.00 36.82 36.97 3kr6 h ILE 233 CO 0.04 0.80 0.09 -0.08 -0.69 0.00 0.00 178.15 178.31 3kr6 h GLU 234 N 0.16 0.70 -0.19 2.37 4.81 -1.87 -0.01 114.58 120.55 3kr6 h GLU 234 Ca -0.11 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3kr6 h GLU 234 Cb 1.78 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.05 3kr6 h GLU 234 CO 0.19 0.72 0.04 1.15 -0.73 0.00 0.00 179.01 180.37 3kr6 h THR 235 N 0.57 0.92 -0.71 0.32 2.02 -1.14 -1.62 112.91 113.26 3kr6 h THR 235 Ca 0.13 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3kr6 h THR 235 Cb 0.34 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 3kr6 h THR 235 CO 0.00 0.02 0.39 1.23 0.37 0.00 0.00 175.52 177.53 3kr6 h GLY 236 N 0.11 1.05 0.99 2.16 0.00 -0.67 -1.52 103.07 105.19 3kr6 h GLY 236 Ca 0.08 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3kr6 h GLY 236 CO -0.11 0.45 0.24 -0.84 0.00 0.00 0.00 176.54 176.27 3kr6 h THR 237 N 0.99 1.12 0.00 4.70 2.02 -0.35 -0.70 112.91 120.69 3kr6 h THR 237 Ca 0.25 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 3kr6 h THR 237 Cb 0.03 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3kr6 h THR 237 CO -0.04 0.13 -0.51 -0.26 0.37 0.00 0.00 175.52 175.20 3kr6 h PHE 238 N 0.52 0.00 -0.42 3.16 -1.00 -0.94 -0.21 116.94 118.05 3kr6 h PHE 238 Ca 0.14 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.81 3kr6 h PHE 238 Cb -0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 3kr6 h PHE 238 CO -0.04 0.51 -0.18 -0.07 -1.61 0.00 0.00 178.31 176.92 3kr6 h LEU 239 N 0.00 0.89 -0.70 1.54 3.38 -1.00 -2.13 115.31 117.29 3kr6 h LEU 239 Ca -0.01 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 3kr6 h LEU 239 Cb 0.95 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3kr6 h LEU 239 CO 0.07 1.09 0.11 0.58 0.09 0.00 0.00 178.44 180.37 3kr6 h VAL 240 N 0.68 1.26 -0.74 1.22 2.07 -0.88 -0.91 116.25 118.96 3kr6 h VAL 240 Ca 0.10 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.67 3kr6 h VAL 240 Cb 0.74 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3kr6 h VAL 240 CO 0.06 0.39 0.39 0.00 0.02 0.00 0.00 177.57 178.43 3kr6 h ALA 241 N 1.07 1.02 -0.31 1.67 0.00 -0.74 -0.39 119.26 121.58 3kr6 h ALA 241 Ca 0.21 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 3kr6 h ALA 241 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kr6 h ALA 241 CO 0.01 -0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.78 3kr6 h ALA 242 N 1.43 0.48 -0.23 0.00 0.00 -1.05 -3.00 119.26 116.88 3kr6 h ALA 242 Ca 0.36 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kr6 h ALA 242 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kr6 h ALA 242 CO -0.26 0.65 0.14 0.00 0.00 0.00 0.00 179.25 179.78 3kr6 h ALA 243 N 0.70 0.30 0.00 0.00 0.00 -0.39 0.11 119.26 119.98 3kr6 h ALA 243 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kr6 h ALA 243 Cb 1.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kr6 h ALA 243 CO 0.11 -0.19 -0.02 -0.84 0.00 0.00 0.00 179.25 178.31 3kr6 h ILE 244 N 0.28 0.05 -0.73 0.00 3.07 -1.16 -2.60 117.51 116.42 3kr6 h ILE 244 Ca 0.08 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.79 3kr6 h ILE 244 Cb 0.03 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 3kr6 h ILE 244 CO -0.02 0.02 0.00 -1.54 -1.05 0.00 0.00 178.15 175.57 3kr6 n SER 245 N -3.12 4.06 -3.79 2.16 3.41 -1.13 -4.94 113.62 110.27 3kr6 n SER 245 Ca 0.01 -2.04 -0.28 0.00 -0.26 0.00 0.00 58.87 56.30 3kr6 n SER 245 Cb 0.38 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 3kr6 n SER 245 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kr6 n ARG 246 N 1.61 -6.53 0.00 4.33 1.74 -0.95 -4.45 116.66 112.41 3kr6 n ARG 246 Ca 0.25 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 3kr6 n ARG 246 Cb 0.65 -5.65 0.00 0.00 -1.02 0.00 0.00 32.46 26.44 3kr6 n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kr6 n GLY 247 N -1.82 3.36 3.36 -0.13 0.00 0.35 -3.80 105.19 106.50 3kr6 n GLY 247 Ca 0.03 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 3kr6 n GLY 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kr6 s LYS 248 N 3.19 0.69 0.01 1.61 2.20 -1.22 -1.73 119.74 124.50 3kr6 s LYS 248 Ca 0.00 0.30 -0.16 0.00 -0.36 0.00 0.00 55.97 55.74 3kr6 s LYS 248 Cb 0.00 0.32 0.03 0.00 -1.51 0.00 0.00 37.83 36.67 3kr6 s LYS 248 CO 0.00 -0.16 0.36 -1.50 -0.36 0.00 0.00 175.35 173.69 3kr6 s ILE 249 N -0.56 0.06 -0.14 5.43 2.07 0.21 -1.64 121.20 126.63 3kr6 s ILE 249 Ca -0.07 -0.50 0.01 0.00 -1.41 0.00 0.00 60.65 58.69 3kr6 s ILE 249 Cb -0.03 -0.81 0.02 0.00 0.13 0.00 0.00 42.46 41.77 3kr6 s ILE 249 CO 0.04 -0.27 -0.17 -0.63 -1.91 0.00 0.00 174.94 171.99 3kr6 s ILE 250 N -1.92 1.71 -0.28 2.00 1.01 -0.64 -0.84 121.20 122.25 3kr6 s ILE 250 Ca -0.09 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 3kr6 s ILE 250 Cb -0.03 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3kr6 s ILE 250 CO 0.01 0.48 0.21 0.00 0.00 0.00 0.00 174.94 175.64 3kr6 s ARG 252 N 1.74 3.42 -1.43 0.00 1.81 0.40 -1.73 118.95 123.17 3kr6 s ARG 252 Ca 0.08 -0.57 -0.10 0.00 -1.72 0.00 0.00 55.73 53.42 3kr6 s ARG 252 Cb -0.16 -2.77 0.03 0.00 -0.45 0.00 0.00 34.95 31.60 3kr6 s ARG 252 CO 0.10 0.25 1.03 0.09 -0.68 0.00 0.00 175.30 176.10 3kr6 n ASN 253 N -1.62 -5.89 -4.99 0.23 4.13 -0.87 -0.81 115.26 105.43 3kr6 n ASN 253 Ca -0.06 -0.56 -0.18 0.00 1.68 0.00 0.00 54.58 55.46 3kr6 n ASN 253 Cb 0.57 -4.67 0.00 0.00 -1.54 0.00 0.00 39.78 34.14 3kr6 n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kr6 s ALA 254 N -3.28 4.43 -0.41 5.41 0.00 -0.58 -4.47 121.76 122.84 3kr6 s ALA 254 Ca 0.56 -1.67 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3kr6 s ALA 254 Cb -0.26 -1.56 0.14 0.00 0.00 0.00 0.00 23.12 21.44 3kr6 s ALA 254 CO 0.70 -0.24 0.25 -1.14 0.00 0.00 0.00 175.76 175.33 3kr6 s GLN 255 N -4.30 1.03 0.33 0.00 0.74 -1.26 -4.17 119.66 112.03 3kr6 s GLN 255 Ca 0.53 -1.82 0.12 0.00 0.05 0.00 0.00 55.36 54.24 3kr6 s GLN 255 Cb -0.09 -1.91 0.99 0.00 1.10 0.00 0.00 33.01 33.10 3kr6 s GLN 255 CO 0.32 -1.21 1.69 -1.35 -0.55 0.00 0.00 175.29 174.20 3kr6 h PRO 256 N 6.68 0.42 0.00 1.67 0.11 -1.85 -2.09 132.00 136.93 3kr6 h PRO 256 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3kr6 h PRO 256 Cb 0.93 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3kr6 h PRO 256 CO 0.40 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3kr6 n ASP 257 N -4.98 0.00 -0.43 -2.05 3.85 -1.26 -1.56 116.55 110.12 3kr6 n ASP 257 Ca 0.29 -0.19 0.13 0.00 -0.71 0.00 0.00 54.79 54.31 3kr6 n ASP 257 Cb 0.87 -0.15 0.37 0.00 -1.35 0.00 0.00 41.12 40.86 3kr6 n ASP 257 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3kr6 n THR 258 N -1.15 0.00 -1.81 2.12 -2.24 -0.78 -4.32 114.28 106.09 3kr6 n THR 258 Ca 0.09 -0.23 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 3kr6 n THR 258 Cb 0.08 0.64 0.12 0.00 -2.10 0.00 0.00 70.33 69.07 3kr6 n THR 258 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kr6 n LEU 259 N -0.07 1.85 -0.16 3.22 4.77 -0.60 -4.89 117.00 121.12 3kr6 n LEU 259 Ca 0.15 -2.89 -0.03 0.00 -0.03 0.00 0.00 56.01 53.21 3kr6 n LEU 259 Cb 0.39 -0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3kr6 n LEU 259 CO 0.21 0.90 0.75 0.44 -1.33 0.00 0.00 177.39 178.37 3kr6 h ASP 260 N 0.72 -0.51 -0.48 -1.43 3.32 -1.75 0.43 116.42 116.71 3kr6 h ASP 260 Ca -0.07 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3kr6 h ASP 260 Cb 1.30 0.33 -0.02 0.00 0.22 0.00 0.00 39.33 41.16 3kr6 h ASP 260 CO 0.03 -0.18 0.09 0.00 -1.72 0.00 0.00 179.24 177.46 3kr6 h ALA 261 N 1.47 0.64 -0.36 3.45 0.00 -1.89 -1.50 119.26 121.07 3kr6 h ALA 261 Ca 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kr6 h ALA 261 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kr6 h ALA 261 CO -0.53 0.35 0.04 0.28 0.00 0.00 0.00 179.25 179.39 3kr6 h VAL 262 N 0.67 1.25 -0.45 0.00 2.07 -1.80 -1.83 116.25 116.15 3kr6 h VAL 262 Ca 0.15 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 3kr6 h VAL 262 Cb 0.37 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3kr6 h VAL 262 CO 0.01 0.30 -0.01 -0.07 0.02 0.00 0.00 177.57 177.81 3kr6 h LEU 263 N 0.44 0.72 -0.52 2.57 3.38 -0.83 -0.85 115.31 120.22 3kr6 h LEU 263 Ca 0.11 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3kr6 h LEU 263 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kr6 h LEU 263 CO 0.01 0.79 0.08 0.00 0.09 0.00 0.00 178.44 179.42 3kr6 h ALA 264 N 1.29 0.69 -0.41 1.53 0.00 -1.13 -0.72 119.26 120.50 3kr6 h ALA 264 Ca 0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3kr6 h ALA 264 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kr6 h ALA 264 CO 0.02 0.42 -0.13 0.87 0.00 0.00 0.00 179.25 180.44 3kr6 h LYS 265 N 0.74 0.74 -0.59 0.00 1.79 -0.90 -0.88 116.57 117.47 3kr6 h LYS 265 Ca 0.16 -0.25 -0.06 0.00 -2.18 0.00 0.00 60.65 58.31 3kr6 h LYS 265 Cb 0.40 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 3kr6 h LYS 265 CO 0.01 0.84 0.11 -0.07 -1.08 0.00 0.00 179.45 179.26 3kr6 h LEU 266 N 0.67 0.88 -0.83 2.94 3.38 -0.84 -0.92 115.31 120.60 3kr6 h LEU 266 Ca 0.11 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3kr6 h LEU 266 Cb 0.60 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3kr6 h LEU 266 CO 0.04 0.88 0.16 0.03 0.09 0.00 0.00 178.44 179.63 3kr6 h ARG 267 N 0.89 1.03 0.00 1.13 3.08 -0.71 -1.26 114.38 118.54 3kr6 h ARG 267 Ca 0.19 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3kr6 h ARG 267 Cb 0.36 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kr6 h ARG 267 CO 0.00 0.92 -0.16 -0.44 -1.07 0.00 0.00 179.97 179.22 3kr6 h ASP 268 N 0.98 0.00 0.23 7.04 3.32 -0.52 -0.82 116.42 126.65 3kr6 h ASP 268 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3kr6 h ASP 268 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3kr6 h ASP 268 CO 0.00 0.16 -0.02 0.00 -1.72 0.00 0.00 179.24 177.66 3kr6 n ALA 269 N -2.32 2.63 0.00 3.45 0.00 -0.41 -4.77 120.51 119.09 3kr6 n ALA 269 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3kr6 n ALA 269 Cb 0.27 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3kr6 n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kr6 n GLY 270 N 1.14 0.79 3.77 0.00 0.00 -0.31 -0.58 105.19 110.00 3kr6 n GLY 270 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3kr6 n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr6 s ALA 271 N -2.00 3.23 -0.45 4.61 0.00 -0.62 -4.85 121.76 121.68 3kr6 s ALA 271 Ca 0.00 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 3kr6 s ALA 271 Cb 0.00 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.93 3kr6 s ALA 271 CO 0.00 0.04 0.44 0.34 0.00 0.00 0.00 175.76 176.58 3kr6 s ASP 272 N -1.42 6.18 -0.08 0.00 2.15 -0.29 -4.35 116.67 118.85 3kr6 s ASP 272 Ca 0.50 -0.93 0.02 0.00 0.43 0.00 0.00 52.55 52.57 3kr6 s ASP 272 Cb -0.23 -2.22 -0.02 0.00 -0.30 0.00 0.00 42.92 40.16 3kr6 s ASP 272 CO 0.29 -0.64 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.87 3kr6 s ILE 273 N 2.03 2.97 0.08 4.11 1.01 -1.26 -0.78 121.20 129.36 3kr6 s ILE 273 Ca 0.09 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.08 3kr6 s ILE 273 Cb -0.20 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 3kr6 s ILE 273 CO 0.11 0.56 -0.17 -1.61 0.00 0.00 0.00 174.94 173.83 3kr6 s GLU 274 N -0.28 0.95 0.06 2.79 2.02 -0.75 -4.99 118.70 118.50 3kr6 s GLU 274 Ca 0.02 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 53.99 3kr6 s GLU 274 Cb -0.13 -1.06 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 3kr6 s GLU 274 CO 0.03 0.24 -0.08 0.14 0.02 0.00 0.00 175.26 175.61 3kr6 s VAL 275 N -1.23 0.64 0.00 2.63 -7.23 -1.26 -0.58 120.40 113.37 3kr6 s VAL 275 Ca 0.01 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 3kr6 s VAL 275 Cb -0.10 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.87 3kr6 s VAL 275 CO 0.03 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 3kr6 n GLY 276 N 0.99 5.28 0.30 2.32 0.00 -0.26 -5.00 105.19 108.82 3kr6 n GLY 276 Ca -0.19 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 43.82 3kr6 n GLY 276 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kr6 h GLU 277 N 0.00 0.87 -0.24 1.61 4.57 -2.01 -3.34 114.58 116.05 3kr6 h GLU 277 Ca 0.00 -0.19 -0.21 0.00 -1.18 0.00 0.00 59.36 57.78 3kr6 h GLU 277 Cb 0.00 -0.12 -0.39 0.00 -0.16 0.00 0.00 28.75 28.07 3kr6 h GLU 277 CO 0.00 0.80 -1.08 -0.40 -1.18 0.00 0.00 179.01 177.15 3kr6 n ASP 278 N -4.26 1.33 -3.54 1.04 3.85 -1.26 -4.67 116.55 109.04 3kr6 n ASP 278 Ca 0.04 -2.02 -0.11 0.00 -0.71 0.00 0.00 54.79 51.98 3kr6 n ASP 278 Cb 0.24 -0.40 -0.03 0.00 -1.35 0.00 0.00 41.12 39.58 3kr6 n ASP 278 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 3kr6 s TRP 279 N -2.09 -0.36 -0.02 2.11 1.48 -1.25 -1.53 118.94 117.28 3kr6 s TRP 279 Ca 0.30 0.10 -0.00 0.00 -1.06 0.00 0.00 56.10 55.44 3kr6 s TRP 279 Cb 0.35 0.39 0.02 0.00 -1.16 0.00 0.00 33.47 33.08 3kr6 s TRP 279 CO -0.10 -0.77 0.03 0.42 -4.06 0.00 0.00 176.95 172.48 3kr6 s ILE 280 N -3.74 -0.05 0.06 0.66 1.01 -0.70 -1.10 121.20 117.34 3kr6 s ILE 280 Ca 0.02 0.17 0.09 0.00 0.00 0.00 0.00 60.65 60.93 3kr6 s ILE 280 Cb 0.01 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 42.36 3kr6 s ILE 280 CO -0.12 0.07 -0.24 -0.94 0.00 0.00 0.00 174.94 173.71 3kr6 s SER 281 N 0.87 3.36 -0.03 3.58 1.04 0.25 -0.16 113.70 122.62 3kr6 s SER 281 Ca -0.07 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.79 3kr6 s SER 281 Cb -0.10 -0.36 0.01 0.00 0.10 0.00 0.00 66.02 65.67 3kr6 s SER 281 CO -0.03 0.24 -0.06 -0.22 0.98 0.00 0.00 173.24 174.15 3kr6 s LEU 282 N -1.48 1.61 -0.05 2.42 0.20 -0.02 -1.81 118.68 119.56 3kr6 s LEU 282 Ca 0.13 -0.14 -0.01 0.00 0.69 0.00 0.00 54.13 54.80 3kr6 s LEU 282 Cb -0.10 -0.45 0.03 0.00 -0.43 0.00 0.00 46.19 45.24 3kr6 s LEU 282 CO 0.04 0.01 0.02 -0.62 -0.29 0.00 0.00 176.35 175.50 3kr6 s ASP 283 N 0.47 1.03 0.00 3.68 -1.08 0.04 -0.62 116.67 120.19 3kr6 s ASP 283 Ca -0.06 -0.02 0.26 0.00 -0.52 0.00 0.00 52.55 52.21 3kr6 s ASP 283 Cb -0.10 -0.28 0.75 0.00 -1.46 0.00 0.00 42.92 41.83 3kr6 s ASP 283 CO 0.00 -0.17 1.56 0.23 0.52 0.00 0.00 175.17 177.32 3kr6 n MET 284 N 4.79 0.56 -3.53 4.34 2.81 -0.70 -1.14 117.12 124.25 3kr6 n MET 284 Ca -0.14 -0.31 -0.26 0.00 -1.81 0.00 0.00 57.70 55.18 3kr6 n MET 284 Cb 0.50 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.54 3kr6 n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3kr6 n HIS 285 N -0.95 -2.08 -0.90 2.03 8.25 -1.26 -1.30 115.22 119.01 3kr6 n HIS 285 Ca 0.10 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 3kr6 n HIS 285 Cb 0.34 -3.77 0.00 0.00 1.12 0.00 0.00 29.99 27.68 3kr6 n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kr6 n GLY 286 N -1.49 0.51 3.87 -1.41 0.00 -1.25 -5.01 105.19 100.42 3kr6 n GLY 286 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3kr6 n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr6 s LYS 287 N -0.49 3.81 0.25 1.61 -0.14 -0.42 -4.94 119.74 119.42 3kr6 s LYS 287 Ca 0.00 0.25 -0.30 0.00 -1.36 0.00 0.00 55.97 54.57 3kr6 s LYS 287 Cb 0.00 -2.78 -0.09 0.00 -1.68 0.00 0.00 37.83 33.27 3kr6 s LYS 287 CO 0.00 0.41 1.18 0.50 -0.76 0.00 0.00 175.35 176.68 3kr6 s ARG 288 N -2.49 4.52 0.75 1.68 3.52 -1.26 -4.54 118.95 121.13 3kr6 s ARG 288 Ca 0.42 1.92 -0.12 0.00 -0.13 0.00 0.00 55.73 57.83 3kr6 s ARG 288 Cb -0.12 -3.18 0.05 0.00 -1.56 0.00 0.00 34.95 30.13 3kr6 s ARG 288 CO 0.21 0.01 1.11 -1.25 -0.81 0.00 0.00 175.30 174.57 3kr6 s PRO 289 N -1.03 2.25 -0.01 5.12 0.04 -1.26 -4.80 135.00 135.32 3kr6 s PRO 289 Ca 0.49 1.32 -0.08 0.00 0.04 0.00 0.00 61.00 62.77 3kr6 s PRO 289 Cb -0.34 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3kr6 s PRO 289 CO 0.42 -1.67 0.28 0.15 0.04 0.00 0.00 177.00 176.22 3kr6 s LYS 290 N -4.57 3.62 0.60 4.56 -0.14 0.26 -0.47 119.74 123.61 3kr6 s LYS 290 Ca 0.64 0.02 -0.19 0.00 -1.36 0.00 0.00 55.97 55.08 3kr6 s LYS 290 Cb -0.20 -3.12 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 3kr6 s LYS 290 CO 0.51 0.67 1.28 0.00 -0.76 0.00 0.00 175.35 177.05 3kr6 s ALA 291 N -1.22 2.54 0.13 5.17 0.00 -0.32 -4.39 121.76 123.67 3kr6 s ALA 291 Ca 0.25 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.42 3kr6 s ALA 291 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 3kr6 s ALA 291 CO 0.13 -1.39 -0.09 0.14 0.00 0.00 0.00 175.76 174.55 3kr6 s VAL 292 N -1.44 1.06 -0.13 0.00 -7.23 -1.26 -4.85 120.40 106.54 3kr6 s VAL 292 Ca 0.78 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.88 3kr6 s VAL 292 Cb -0.36 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 3kr6 s VAL 292 CO 0.39 -0.77 0.05 0.20 -0.31 0.00 0.00 175.10 174.66 3kr6 s ASN 293 N -3.12 5.57 0.01 4.85 0.01 -1.26 -3.35 114.94 117.65 3kr6 s ASN 293 Ca 0.15 0.17 0.01 0.00 -0.71 0.00 0.00 52.86 52.48 3kr6 s ASN 293 Cb 0.03 -1.79 -0.01 0.00 0.41 0.00 0.00 41.25 39.89 3kr6 s ASN 293 CO -0.01 0.29 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.14 3kr6 s VAL 294 N -0.36 0.32 -0.13 1.60 1.01 -0.04 -4.95 120.40 117.86 3kr6 s VAL 294 Ca 0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3kr6 s VAL 294 Cb -0.12 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 35.97 3kr6 s VAL 294 CO 0.02 -0.10 -0.02 -0.60 0.00 0.00 0.00 175.10 174.40 3kr6 s ARG 295 N -0.59 1.00 0.59 2.72 3.52 -1.26 -0.35 118.95 124.58 3kr6 s ARG 295 Ca -0.03 -0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 55.19 3kr6 s ARG 295 Cb -0.04 -1.56 -0.04 0.00 -1.56 0.00 0.00 34.95 31.75 3kr6 s ARG 295 CO -0.00 -0.39 1.06 0.95 -0.81 0.00 0.00 175.30 176.11 3kr6 s THR 296 N 1.82 3.75 0.04 4.11 -4.23 0.32 -4.33 115.64 117.12 3kr6 s THR 296 Ca 0.03 0.86 -0.28 0.00 -1.18 0.00 0.00 61.69 61.11 3kr6 s THR 296 Cb -0.14 -3.37 0.10 0.00 1.34 0.00 0.00 72.50 70.43 3kr6 s THR 296 CO -0.07 -0.46 1.13 0.00 -0.54 0.00 0.00 174.62 174.68 3kr6 s ALA 297 N -2.38 -1.97 0.80 3.99 0.00 -0.67 -4.09 121.76 117.44 3kr6 s ALA 297 Ca 0.64 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 53.01 3kr6 s ALA 297 Cb -0.17 0.45 0.08 0.00 0.00 0.00 0.00 23.12 23.48 3kr6 s ALA 297 CO 0.35 -1.01 1.20 -2.14 0.00 0.00 0.00 175.76 174.17 3kr6 s PRO 298 N -2.81 1.67 0.48 0.00 0.02 -1.26 -4.36 135.00 128.74 3kr6 s PRO 298 Ca 0.13 1.72 -0.23 0.00 0.02 0.00 0.00 61.00 62.64 3kr6 s PRO 298 Cb 0.02 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.67 3kr6 s PRO 298 CO -0.02 -2.18 1.09 1.58 -0.33 0.00 0.00 177.00 177.14 3kr6 n HIS 299 N -3.30 1.39 1.38 6.54 -0.00 -1.26 -1.58 115.22 118.39 3kr6 n HIS 299 Ca 0.13 0.50 0.01 0.00 0.46 0.00 0.00 57.72 58.82 3kr6 n HIS 299 Cb 0.51 -2.25 0.04 0.00 -0.12 0.00 0.00 29.99 28.17 3kr6 n HIS 299 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3kr6 n PRO 300 N -0.27 1.31 -1.31 1.57 -0.04 -1.26 -4.44 135.00 130.56 3kr6 n PRO 300 Ca 0.10 -0.35 -0.30 0.00 -0.04 0.00 0.00 63.50 62.91 3kr6 n PRO 300 Cb 0.42 -1.25 0.23 0.00 -0.04 0.00 0.00 33.50 32.86 3kr6 n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kr6 s ALA 301 N -1.65 1.03 0.17 0.55 0.00 -0.62 -4.36 121.76 116.88 3kr6 s ALA 301 Ca 0.06 -1.06 -0.32 0.00 0.00 0.00 0.00 51.96 50.64 3kr6 s ALA 301 Cb 0.04 -2.84 -0.11 0.00 0.00 0.00 0.00 23.12 20.21 3kr6 s ALA 301 CO 0.03 -3.33 1.73 0.12 0.00 0.00 0.00 175.76 174.31 3kr6 s PHE 302 N -3.26 2.69 0.18 0.00 5.36 -1.26 -4.78 117.98 116.91 3kr6 s PHE 302 Ca 0.72 0.27 -0.30 0.00 -0.96 0.00 0.00 56.93 56.67 3kr6 s PHE 302 Cb -0.07 -4.12 -0.08 0.00 -0.34 0.00 0.00 43.02 38.41 3kr6 s PHE 302 CO 0.55 -4.34 1.06 -1.25 -1.46 0.00 0.00 175.22 169.77 3kr6 s PRO 303 N 1.68 4.65 0.54 10.12 0.04 -1.26 -1.67 135.00 149.10 3kr6 s PRO 303 Ca 0.76 1.65 0.19 0.00 0.04 0.00 0.00 61.00 63.64 3kr6 s PRO 303 Cb -0.47 -3.29 1.40 0.00 0.04 0.00 0.00 34.50 32.18 3kr6 s PRO 303 CO 0.33 0.17 2.17 0.00 0.04 0.00 0.00 177.00 179.71 3kr6 h THR 304 N 3.65 0.89 0.00 1.26 1.03 -1.92 -0.96 112.91 116.86 3kr6 h THR 304 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 3kr6 h THR 304 Cb 1.21 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 3kr6 h THR 304 CO 0.71 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.69 3kr6 n ASP 305 N -4.38 0.00 -0.45 0.00 8.00 -1.26 -1.30 116.55 117.16 3kr6 n ASP 305 Ca -0.03 -0.05 0.05 0.00 0.71 0.00 0.00 54.79 55.48 3kr6 n ASP 305 Cb 0.09 -0.21 0.06 0.00 -0.02 0.00 0.00 41.12 41.05 3kr6 n ASP 305 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kr6 n MET 306 N -1.21 0.97 -0.14 -1.24 2.81 -0.37 -4.75 117.12 113.19 3kr6 n MET 306 Ca 0.08 -1.31 -0.09 0.00 -1.81 0.00 0.00 57.70 54.56 3kr6 n MET 306 Cb 0.09 -1.21 -0.01 0.00 -0.71 0.00 0.00 33.22 31.39 3kr6 n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3kr6 h GLN 307 N 1.99 0.62 -0.62 0.03 -0.00 -1.18 -1.59 115.11 114.35 3kr6 h GLN 307 Ca 0.00 -0.13 -0.07 0.00 -0.00 0.00 0.00 58.65 58.45 3kr6 h GLN 307 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.86 3kr6 h GLN 307 CO 0.00 0.61 0.10 0.00 0.00 0.00 0.00 178.83 179.54 3kr6 h ALA 308 N 0.98 1.00 -0.62 3.38 0.00 -1.86 -0.90 119.26 121.23 3kr6 h ALA 308 Ca 0.13 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3kr6 h ALA 308 Cb 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3kr6 h ALA 308 CO -0.01 0.64 0.13 1.96 0.00 0.00 0.00 179.25 181.97 3kr6 h GLN 309 N 0.96 1.01 0.00 0.00 7.50 -1.80 -2.01 115.11 120.76 3kr6 h GLN 309 Ca 0.19 -0.26 -0.05 0.00 0.50 0.00 0.00 58.65 59.04 3kr6 h GLN 309 Cb 0.42 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 3kr6 h GLN 309 CO 0.01 0.93 -0.22 0.74 -1.50 0.00 0.00 178.83 178.79 3kr6 h PHE 310 N 0.93 0.00 -0.27 2.96 -1.00 -1.03 -1.95 116.94 116.58 3kr6 h PHE 310 Ca 0.19 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.95 3kr6 h PHE 310 Cb 0.39 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 3kr6 h PHE 310 CO 0.03 0.22 0.09 1.15 -1.61 0.00 0.00 178.31 178.19 3kr6 h THR 311 N 0.00 1.19 -0.42 -1.55 2.02 -0.65 -0.71 112.91 112.79 3kr6 h THR 311 Ca -0.00 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.60 3kr6 h THR 311 Cb 0.88 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 3kr6 h THR 311 CO 0.03 0.20 0.25 0.25 0.37 0.00 0.00 175.52 176.62 3kr6 h LEU 312 N 0.28 0.41 -0.20 2.58 5.85 -1.08 -0.84 115.31 122.31 3kr6 h LEU 312 Ca 0.09 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3kr6 h LEU 312 Cb 0.22 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3kr6 h LEU 312 CO -0.00 0.29 -0.07 0.25 -0.34 0.00 0.00 178.44 178.57 3kr6 h LEU 313 N 0.51 -0.23 -1.40 2.25 6.46 -1.12 -1.51 115.31 120.25 3kr6 h LEU 313 Ca 0.17 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 3kr6 h LEU 313 Cb 0.01 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3kr6 h LEU 313 CO -0.08 -0.09 0.23 0.78 -0.62 0.00 0.00 178.44 178.67 3kr6 h ASN 314 N -0.03 0.56 0.53 1.25 2.35 -0.77 -1.86 115.58 117.62 3kr6 h ASN 314 Ca 0.10 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kr6 h ASN 314 Cb 0.18 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3kr6 h ASN 314 CO -0.22 0.48 0.00 0.18 -1.65 0.00 0.00 177.43 176.22 3kr6 n LEU 315 N -4.40 0.07 0.00 1.61 4.77 -0.35 -2.09 117.00 116.61 3kr6 n LEU 315 Ca 0.04 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3kr6 n LEU 315 Cb 0.11 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3kr6 n LEU 315 CO 0.37 -0.28 0.39 1.33 -1.33 0.00 0.00 177.39 177.87 3kr6 n VAL 316 N -1.58 0.56 -2.27 4.08 0.24 -0.95 -1.19 118.33 117.23 3kr6 n VAL 316 Ca 0.03 -0.76 -0.25 0.00 -2.04 0.00 0.00 64.34 61.32 3kr6 n VAL 316 Cb 0.18 0.73 0.07 0.00 -1.47 0.00 0.00 33.84 33.36 3kr6 n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kr6 s ALA 317 N -0.56 3.25 -0.33 2.33 0.00 -0.74 -4.54 121.76 121.16 3kr6 s ALA 317 Ca 0.00 -1.05 -0.25 0.00 0.00 0.00 0.00 51.96 50.67 3kr6 s ALA 317 Cb 0.00 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.63 3kr6 s ALA 317 CO 0.00 -1.30 0.86 -2.00 0.00 0.00 0.00 175.76 173.32 3kr6 s GLU 318 N -5.21 3.91 0.00 0.00 2.56 0.38 -3.78 118.70 116.57 3kr6 s GLU 318 Ca 0.61 0.61 0.00 0.00 0.00 0.00 0.00 54.97 56.19 3kr6 s GLU 318 Cb -0.10 -3.76 0.00 0.00 2.00 0.00 0.00 34.13 32.27 3kr6 s GLU 318 CO 0.44 -0.80 0.00 0.41 -0.56 0.00 0.00 175.26 174.75 3kr6 n GLY 319 N 4.24 -2.58 3.75 -1.50 0.00 -1.26 -1.17 105.19 106.67 3kr6 n GLY 319 Ca 0.06 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 3kr6 n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr6 s THR 320 N -0.42 4.82 0.04 2.61 2.01 -1.26 -1.52 115.64 121.92 3kr6 s THR 320 Ca 0.00 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 3kr6 s THR 320 Cb 0.00 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.43 3kr6 s THR 320 CO 0.00 0.59 0.16 -0.83 -0.69 0.00 0.00 174.62 173.85 3kr6 s GLY 321 N -0.74 0.08 0.18 4.40 0.00 -0.46 -4.68 107.32 106.09 3kr6 s GLY 321 Ca 0.12 -0.36 0.10 0.00 0.00 0.00 0.00 44.72 44.58 3kr6 s GLY 321 CO 0.03 -0.52 -0.17 -0.11 0.00 0.00 0.00 173.10 172.32 3kr6 s PHE 322 N -2.55 2.48 -0.23 1.90 -0.12 -1.21 -0.27 117.98 117.97 3kr6 s PHE 322 Ca -0.05 -0.29 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 3kr6 s PHE 322 Cb -0.01 -1.23 0.06 0.00 -0.63 0.00 0.00 43.02 41.21 3kr6 s PHE 322 CO -0.04 0.49 -0.03 0.42 -0.05 0.00 0.00 175.22 176.01 3kr6 s ILE 323 N -1.63 1.38 -0.28 -4.49 -1.09 -0.25 -0.86 121.20 113.98 3kr6 s ILE 323 Ca 0.22 -1.15 -0.11 0.00 -2.23 0.00 0.00 60.65 57.38 3kr6 s ILE 323 Cb -0.09 -1.70 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 3kr6 s ILE 323 CO 0.12 -0.14 0.19 -0.89 -1.23 0.00 0.00 174.94 172.99 3kr6 s THR 324 N 1.46 5.31 -0.39 2.92 2.01 0.53 -0.78 115.64 126.69 3kr6 s THR 324 Ca -0.04 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.00 3kr6 s THR 324 Cb -0.19 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.82 3kr6 s THR 324 CO -0.07 0.25 0.25 -0.70 -0.69 0.00 0.00 174.62 173.66 3kr6 s GLU 325 N 1.76 2.87 0.00 4.92 2.56 -0.04 -0.52 118.70 130.25 3kr6 s GLU 325 Ca 0.07 -1.08 0.15 0.00 0.00 0.00 0.00 54.97 54.12 3kr6 s GLU 325 Cb -0.16 -3.84 -0.04 0.00 2.00 0.00 0.00 34.13 32.08 3kr6 s GLU 325 CO 0.11 -0.74 0.79 0.25 -0.56 0.00 0.00 175.26 175.11 3kr6 n THR 326 N 5.06 0.00 -0.05 -1.70 -2.24 -1.26 -4.69 114.28 109.41 3kr6 n THR 326 Ca -0.11 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 3kr6 n THR 326 Cb 0.46 1.14 -0.13 0.00 -2.10 0.00 0.00 70.33 69.70 3kr6 n THR 326 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kr6 n VAL 327 N -0.43 1.66 -4.54 2.28 0.31 -1.26 -4.95 118.33 111.40 3kr6 n VAL 327 Ca 0.06 -0.57 -0.28 0.00 -0.01 0.00 0.00 64.34 63.54 3kr6 n VAL 327 Cb 0.30 -1.67 -0.14 0.00 -0.91 0.00 0.00 33.84 31.43 3kr6 n VAL 327 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3kr6 s PHE 328 N -2.53 2.16 -1.79 3.52 0.40 -1.26 -5.06 117.98 113.42 3kr6 s PHE 328 Ca -0.27 -0.39 0.25 0.00 -0.60 0.00 0.00 56.93 55.91 3kr6 s PHE 328 Cb 0.08 -1.22 0.50 0.00 0.51 0.00 0.00 43.02 42.88 3kr6 s PHE 328 CO 0.69 0.23 1.40 -0.85 0.70 0.00 0.00 175.22 177.39 3kr6 n GLU 329 N 1.30 0.89 -3.00 0.44 0.00 -1.23 -4.44 120.64 114.60 3kr6 n GLU 329 Ca -0.18 -0.61 -0.16 0.00 0.00 0.00 0.00 57.16 56.22 3kr6 n GLU 329 Cb 0.53 -1.49 -0.01 0.00 0.00 0.00 0.00 31.44 30.47 3kr6 n GLU 329 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3kr6 n ASN 330 N -0.52 1.23 -2.11 -1.84 4.05 -0.50 -4.94 115.26 110.63 3kr6 n ASN 330 Ca 0.11 -2.95 -0.25 0.00 0.45 0.00 0.00 54.58 51.94 3kr6 n ASN 330 Cb 0.38 -0.59 0.02 0.00 1.23 0.00 0.00 39.78 40.83 3kr6 n ASN 330 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 3kr6 n ARG 331 N 0.14 3.55 -0.13 1.20 0.63 -1.25 -4.32 116.66 116.48 3kr6 n ARG 331 Ca 0.20 -4.19 0.07 0.00 -0.92 0.00 0.00 57.85 53.02 3kr6 n ARG 331 Cb 0.70 -2.28 0.10 0.00 0.45 0.00 0.00 32.46 31.43 3kr6 n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kr6 n PHE 332 N -0.68 0.00 0.30 -0.14 0.99 -1.26 -4.78 117.46 111.89 3kr6 n PHE 332 Ca 0.44 -0.76 0.19 0.00 -0.00 0.00 0.00 57.45 57.33 3kr6 n PHE 332 Cb 0.90 -0.12 0.97 0.00 -1.00 0.00 0.00 39.48 40.24 3kr6 n PHE 332 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kr6 h MET 333 N 0.00 0.00 0.00 -1.08 -0.00 -1.99 -1.45 114.93 110.41 3kr6 h MET 333 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 3kr6 h MET 333 Cb 1.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.59 3kr6 h MET 333 CO 0.00 0.00 -0.25 1.12 -0.00 0.00 0.00 176.91 177.78 3kr6 h HIS 334 N 0.00 0.00 0.05 -0.10 2.07 -1.93 -3.33 115.15 111.90 3kr6 h HIS 334 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3kr6 h HIS 334 Cb 0.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.11 3kr6 h HIS 334 CO 0.00 0.25 -0.02 0.28 -3.07 0.00 0.00 177.93 175.37 3kr6 h VAL 335 N 0.00 0.99 -0.04 6.12 2.07 -1.64 -0.57 116.25 123.18 3kr6 h VAL 335 Ca -0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3kr6 h VAL 335 Cb 0.80 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3kr6 h VAL 335 CO 0.03 0.03 -0.10 -0.65 0.02 0.00 0.00 177.57 176.91 3kr6 h PRO 336 N -0.12 0.06 -0.24 1.57 0.11 -1.75 -0.08 132.00 131.55 3kr6 h PRO 336 Ca -0.01 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.89 3kr6 h PRO 336 Cb 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3kr6 h PRO 336 CO 0.01 0.17 -0.63 0.93 -0.21 0.00 0.00 178.00 178.26 3kr6 h GLU 337 N 0.06 0.84 0.00 1.05 4.39 -1.61 -2.44 114.58 116.87 3kr6 h GLU 337 Ca 0.01 -0.58 -0.10 0.00 0.34 0.00 0.00 59.36 59.03 3kr6 h GLU 337 Cb 0.21 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3kr6 h GLU 337 CO 0.01 1.21 -0.48 -0.07 -1.16 0.00 0.00 179.01 178.52 3kr6 h LEU 338 N 0.62 0.00 -1.30 1.33 3.38 -0.57 -2.25 115.31 116.51 3kr6 h LEU 338 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3kr6 h LEU 338 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3kr6 h LEU 338 CO 0.14 0.48 0.02 0.28 0.09 0.00 0.00 178.44 179.44 3kr6 h SER 339 N 0.00 0.45 0.80 -0.43 0.02 -0.79 -0.30 113.55 113.30 3kr6 h SER 339 Ca -0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3kr6 h SER 339 Cb 0.85 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3kr6 h SER 339 CO 0.06 0.51 0.00 0.54 -1.14 0.00 0.00 176.83 176.80 3kr6 n ARG 340 N -4.31 0.17 -0.47 3.45 1.74 -0.86 -1.62 116.66 114.77 3kr6 n ARG 340 Ca 0.01 0.36 0.10 0.00 -0.77 0.00 0.00 57.85 57.56 3kr6 n ARG 340 Cb 0.22 -1.80 0.33 0.00 -1.02 0.00 0.00 32.46 30.19 3kr6 n ARG 340 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kr6 n MET 341 N -2.12 3.09 -0.12 5.56 2.81 -0.21 -4.85 117.12 121.29 3kr6 n MET 341 Ca 0.03 -2.62 0.00 0.00 -1.81 0.00 0.00 57.70 53.29 3kr6 n MET 341 Cb 0.25 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 3kr6 n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kr6 n GLY 342 N 1.38 0.77 3.82 3.03 0.00 -0.64 -0.03 105.19 113.52 3kr6 n GLY 342 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3kr6 n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr6 s ALA 343 N -2.11 2.77 -0.30 4.61 0.00 -0.71 -4.95 121.76 121.07 3kr6 s ALA 343 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3kr6 s ALA 343 Cb 0.00 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 20.01 3kr6 s ALA 343 CO 0.00 -0.92 -0.02 -1.01 0.00 0.00 0.00 175.76 173.82 3kr6 s HIS 344 N -2.76 3.43 0.03 0.00 0.09 -1.26 -4.47 115.29 110.35 3kr6 s HIS 344 Ca 0.60 -2.43 -0.11 0.00 -0.00 0.00 0.00 55.06 53.13 3kr6 s HIS 344 Cb -0.14 -2.35 0.01 0.00 -0.00 0.00 0.00 32.58 30.10 3kr6 s HIS 344 CO 0.45 -0.89 0.23 0.00 -0.00 0.00 0.00 174.74 174.53 3kr6 s ALA 345 N 1.08 -0.47 -0.01 -1.40 0.00 -1.26 -1.40 121.76 118.29 3kr6 s ALA 345 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.83 3kr6 s ALA 345 Cb -0.20 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3kr6 s ALA 345 CO -0.05 -0.36 -0.12 -1.21 0.00 0.00 0.00 175.76 174.02 3kr6 s GLU 346 N -2.40 1.03 -0.21 0.00 8.01 -0.43 -4.97 118.70 119.73 3kr6 s GLU 346 Ca -0.06 -0.43 -0.08 0.00 0.01 0.00 0.00 54.97 54.40 3kr6 s GLU 346 Cb -0.02 -0.99 -0.04 0.00 -4.31 0.00 0.00 34.13 28.78 3kr6 s GLU 346 CO -0.03 0.25 0.09 0.42 0.01 0.00 0.00 175.26 176.00 3kr6 s ILE 347 N -0.22 4.88 -0.35 -1.63 1.01 -1.26 0.03 121.20 123.66 3kr6 s ILE 347 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3kr6 s ILE 347 Cb -0.06 -3.23 0.10 0.00 0.01 0.00 0.00 42.46 39.29 3kr6 s ILE 347 CO -0.00 0.41 0.08 -1.61 0.00 0.00 0.00 174.94 173.82 3kr6 s GLU 348 N 0.73 1.32 6.68 2.79 2.02 0.82 -5.00 118.70 128.06 3kr6 s GLU 348 Ca 0.05 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.30 3kr6 s GLU 348 Cb -0.13 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.21 3kr6 s GLU 348 CO 0.02 -0.97 0.00 0.45 0.02 0.00 0.00 175.26 174.78 3kr6 n SER 349 N 4.30 0.00 -1.24 -0.19 2.88 -1.26 -1.08 113.62 117.03 3kr6 n SER 349 Ca 0.03 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.61 3kr6 n SER 349 Cb 0.41 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.10 3kr6 n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3kr6 n ASN 350 N 7.47 3.53 -4.08 -3.46 6.94 -1.26 -4.87 115.26 119.53 3kr6 n ASN 350 Ca 0.00 -2.47 -0.23 0.00 -0.02 0.00 0.00 54.58 51.86 3kr6 n ASN 350 Cb 0.00 -0.57 -0.15 0.00 -2.36 0.00 0.00 39.78 36.69 3kr6 n ASN 350 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3kr6 s THR 351 N -1.94 1.09 -0.22 5.53 2.01 -0.24 -0.86 115.64 121.01 3kr6 s THR 351 Ca 0.31 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 3kr6 s THR 351 Cb 0.23 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 3kr6 s THR 351 CO 0.10 0.32 0.08 0.54 -0.69 0.00 0.00 174.62 174.97 3kr6 s VAL 352 N -0.05 4.63 -0.28 3.82 0.11 0.04 -0.13 120.40 128.55 3kr6 s VAL 352 Ca -0.00 -0.08 -0.17 0.00 -2.93 0.00 0.00 61.98 58.80 3kr6 s VAL 352 Cb -0.08 -3.13 -0.03 0.00 -1.53 0.00 0.00 36.38 31.61 3kr6 s VAL 352 CO 0.01 0.39 0.47 -0.63 -3.33 0.00 0.00 175.10 172.01 3kr6 s ILE 353 N 1.00 5.09 -0.08 7.04 -1.09 0.10 -1.09 121.20 132.18 3kr6 s ILE 353 Ca 0.04 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.17 3kr6 s ILE 353 Cb -0.14 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 3kr6 s ILE 353 CO 0.03 0.06 -0.05 0.00 -1.23 0.00 0.00 174.94 173.74 3kr6 s HIS 355 N -0.75 2.61 0.36 0.00 3.76 -0.49 -1.36 115.29 119.43 3kr6 s HIS 355 Ca 0.11 -2.19 -0.28 0.00 -0.15 0.00 0.00 55.06 52.55 3kr6 s HIS 355 Cb -0.11 -2.11 -0.11 0.00 1.11 0.00 0.00 32.58 31.35 3kr6 s HIS 355 CO 0.02 -0.88 1.48 0.41 -0.85 0.00 0.00 174.74 174.92 3kr6 n GLY 356 N 4.59 1.15 3.56 -2.22 0.00 -0.57 -4.19 105.19 107.52 3kr6 n GLY 356 Ca -0.02 0.33 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 3kr6 n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kr6 s VAL 357 N -0.97 3.01 0.10 1.61 -7.23 -0.33 -4.64 120.40 111.95 3kr6 s VAL 357 Ca 0.55 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.49 3kr6 s VAL 357 Cb -0.49 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 33.81 3kr6 s VAL 357 CO 0.62 -0.32 1.63 -0.08 -0.31 0.00 0.00 175.10 176.64 3kr6 h GLU 358 N 2.29 0.37 -3.17 4.82 4.57 -1.88 -3.39 114.58 118.20 3kr6 h GLU 358 Ca -0.43 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 57.53 3kr6 h GLU 358 Cb 1.24 -0.06 -0.23 0.00 -0.16 0.00 0.00 28.75 29.55 3kr6 h GLU 358 CO 0.58 0.43 -0.38 -1.59 -1.18 0.00 0.00 179.01 176.87 3kr6 s LYS 359 N -5.48 0.46 0.47 1.92 -2.85 -1.26 -5.01 119.74 107.98 3kr6 s LYS 359 Ca -0.14 0.01 0.02 0.00 -1.00 0.00 0.00 55.97 54.86 3kr6 s LYS 359 Cb 0.08 0.21 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 3kr6 s LYS 359 CO 0.72 -0.10 0.68 -0.51 0.10 0.00 0.00 175.35 176.24 3kr6 s LEU 360 N -0.68 3.57 -0.03 2.77 1.43 -1.26 -4.95 118.68 119.53 3kr6 s LEU 360 Ca -0.08 0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3kr6 s LEU 360 Cb -0.04 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 3kr6 s LEU 360 CO 0.02 -0.81 -0.22 -0.44 0.23 0.00 0.00 176.35 175.13 3kr6 s SER 361 N -4.28 3.38 0.64 2.29 0.01 0.96 -0.71 113.70 115.99 3kr6 s SER 361 Ca 0.51 -0.38 -0.18 0.00 1.31 0.00 0.00 55.95 57.20 3kr6 s SER 361 Cb -0.10 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 3kr6 s SER 361 CO 0.37 0.32 1.30 -0.83 0.41 0.00 0.00 173.24 174.81 3kr6 s GLY 362 N -0.61 2.87 0.22 3.44 0.00 -0.06 -4.44 107.32 108.75 3kr6 s GLY 362 Ca 0.09 1.23 -0.22 0.00 0.00 0.00 0.00 44.72 45.82 3kr6 s GLY 362 CO -0.00 1.66 0.75 0.00 0.00 0.00 0.00 173.10 175.51 3kr6 s ALA 363 N -1.38 -1.40 -0.30 3.20 0.00 -1.09 -4.84 121.76 115.95 3kr6 s ALA 363 Ca 0.82 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.57 3kr6 s ALA 363 Cb -0.38 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3kr6 s ALA 363 CO 0.40 -0.97 0.62 -0.65 0.00 0.00 0.00 175.76 175.16 3kr6 s GLN 364 N -3.74 3.91 0.23 0.00 -0.21 -1.26 -1.79 119.66 116.81 3kr6 s GLN 364 Ca 0.09 0.30 0.02 0.00 0.02 0.00 0.00 55.36 55.79 3kr6 s GLN 364 Cb -0.04 -3.72 -0.05 0.00 1.00 0.00 0.00 33.01 30.20 3kr6 s GLN 364 CO 0.01 -0.55 0.03 0.14 -2.12 0.00 0.00 175.29 172.81 3kr6 s VAL 365 N 2.57 0.82 -0.20 1.09 -7.23 -0.04 -4.95 120.40 112.45 3kr6 s VAL 365 Ca 0.25 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.27 3kr6 s VAL 365 Cb -0.15 -2.42 0.06 0.00 0.56 0.00 0.00 36.38 34.43 3kr6 s VAL 365 CO 0.11 -0.24 0.50 -0.32 -0.31 0.00 0.00 175.10 174.85 3kr6 s MET 366 N -3.93 0.54 0.08 4.82 0.00 -1.26 -1.15 119.30 118.40 3kr6 s MET 366 Ca 0.31 0.83 0.08 0.00 0.00 0.00 0.00 55.69 56.91 3kr6 s MET 366 Cb 0.07 0.15 -0.04 0.00 0.00 0.00 0.00 34.83 35.01 3kr6 s MET 366 CO 0.10 -0.12 -0.19 0.00 0.00 0.00 0.00 175.02 174.81 3kr6 s ALA 367 N 0.93 2.62 -1.59 4.11 0.00 -1.26 -4.98 121.76 121.59 3kr6 s ALA 367 Ca -0.05 -1.29 0.21 0.00 0.00 0.00 0.00 51.96 50.83 3kr6 s ALA 367 Cb -0.06 -0.67 0.69 0.00 0.00 0.00 0.00 23.12 23.09 3kr6 s ALA 367 CO -0.08 0.58 1.59 0.25 0.00 0.00 0.00 175.76 178.11 3kr6 n THR 368 N 1.15 1.41 -3.58 0.00 -2.24 -1.26 -4.79 114.28 104.97 3kr6 n THR 368 Ca -0.16 -1.09 -0.11 0.00 -2.27 0.00 0.00 64.05 60.42 3kr6 n THR 368 Cb 0.52 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 3kr6 n THR 368 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kr6 s ASP 369 N -0.95 -0.35 0.07 3.42 1.47 -1.26 -4.50 116.67 114.58 3kr6 s ASP 369 Ca 0.51 -0.15 -0.14 0.00 1.18 0.00 0.00 52.55 53.95 3kr6 s ASP 369 Cb 0.30 0.50 -0.03 0.00 -0.34 0.00 0.00 42.92 43.35 3kr6 s ASP 369 CO 0.30 -0.85 1.22 -0.11 0.68 0.00 0.00 175.17 176.40 3kr6 n LEU 370 N -0.12 -0.47 0.15 2.11 7.94 -1.26 -1.04 117.00 124.32 3kr6 n LEU 370 Ca -0.17 1.32 0.01 0.00 -1.11 0.00 0.00 56.01 56.06 3kr6 n LEU 370 Cb 0.63 -0.37 0.22 0.00 0.53 0.00 0.00 43.42 44.43 3kr6 n LEU 370 CO 0.16 -0.91 0.55 0.03 -1.11 0.00 0.00 177.39 176.12 3kr6 h ARG 371 N 0.00 0.00 -0.41 1.96 2.47 -1.93 -1.89 114.38 114.58 3kr6 h ARG 371 Ca 0.07 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.66 3kr6 h ARG 371 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3kr6 h ARG 371 CO -0.41 0.55 -0.24 0.00 0.56 0.00 0.00 179.97 180.43 3kr6 h ALA 372 N 1.45 0.58 -0.40 0.04 0.00 -1.92 -1.66 119.26 117.35 3kr6 h ALA 372 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3kr6 h ALA 372 Cb 1.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3kr6 h ALA 372 CO 0.07 0.57 0.15 1.03 0.00 0.00 0.00 179.25 181.08 3kr6 h SER 373 N 0.70 0.56 -0.92 0.00 0.87 -0.80 -1.51 113.55 112.46 3kr6 h SER 373 Ca 0.09 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3kr6 h SER 373 Cb 0.81 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 3kr6 h SER 373 CO 0.07 0.58 0.60 0.00 -0.53 0.00 0.00 176.83 177.55 3kr6 h ALA 374 N 1.00 1.31 -0.81 6.23 0.00 -1.26 -2.04 119.26 123.69 3kr6 h ALA 374 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kr6 h ALA 374 Cb 0.20 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kr6 h ALA 374 CO -0.01 0.62 0.40 0.77 0.00 0.00 0.00 179.25 181.04 3kr6 h SER 375 N 1.26 1.05 -0.10 0.00 0.02 -0.84 -1.45 113.55 113.49 3kr6 h SER 375 Ca 0.34 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 3kr6 h SER 375 Cb -0.12 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 3kr6 h SER 375 CO -0.07 0.87 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.21 3kr6 h LEU 376 N 1.15 0.51 -0.37 5.07 3.38 -0.61 -1.24 115.31 123.20 3kr6 h LEU 376 Ca 0.28 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3kr6 h LEU 376 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kr6 h LEU 376 CO -0.04 0.72 -0.00 0.58 0.09 0.00 0.00 178.44 179.79 3kr6 h VAL 377 N 0.46 1.26 -0.90 1.22 2.07 -0.85 -0.70 116.25 118.82 3kr6 h VAL 377 Ca 0.07 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 3kr6 h VAL 377 Cb 0.62 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3kr6 h VAL 377 CO 0.04 0.33 0.55 -0.07 0.02 0.00 0.00 177.57 178.45 3kr6 h LEU 378 N 0.48 1.06 -0.71 2.57 3.38 -0.98 -1.87 115.31 119.25 3kr6 h LEU 378 Ca 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kr6 h LEU 378 Cb 0.47 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3kr6 h LEU 378 CO 0.02 0.81 0.36 0.00 0.09 0.00 0.00 178.44 179.72 3kr6 h ALA 379 N 1.38 0.91 -0.62 1.53 0.00 -0.93 -2.00 119.26 119.53 3kr6 h ALA 379 Ca 0.32 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3kr6 h ALA 379 Cb -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3kr6 h ALA 379 CO -0.06 0.45 0.41 0.78 0.00 0.00 0.00 179.25 180.83 3kr6 h GLY 380 N 0.98 0.85 1.63 0.00 0.00 -0.36 -0.27 103.07 105.88 3kr6 h GLY 380 Ca 0.25 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3kr6 h GLY 380 CO -0.03 0.27 0.08 0.00 0.00 0.00 0.00 176.54 176.86 3kr6 n ILE 382 N -4.35 0.00 -1.58 0.00 -5.35 -0.96 -0.57 119.36 106.55 3kr6 n ILE 382 Ca 0.02 -0.16 -0.31 0.00 -0.27 0.00 0.00 62.75 62.03 3kr6 n ILE 382 Cb 0.18 1.08 0.05 0.00 -1.74 0.00 0.00 39.64 39.21 3kr6 n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kr6 s ALA 383 N -2.48 2.67 -0.30 -1.28 0.00 -0.15 -4.50 121.76 115.72 3kr6 s ALA 383 Ca 0.10 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 3kr6 s ALA 383 Cb 0.14 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3kr6 s ALA 383 CO 0.64 -1.23 0.87 -2.00 0.00 0.00 0.00 175.76 174.04 3kr6 s GLU 384 N -5.06 4.03 0.23 0.00 2.56 0.11 -2.03 118.70 118.54 3kr6 s GLU 384 Ca 0.58 0.79 0.00 0.00 0.00 0.00 0.00 54.97 56.34 3kr6 s GLU 384 Cb -0.14 -3.71 0.00 0.00 2.00 0.00 0.00 34.13 32.28 3kr6 s GLU 384 CO 0.55 -0.71 0.00 0.41 -0.56 0.00 0.00 175.26 174.95 3kr6 n GLY 385 N 4.01 -0.10 3.72 -1.50 0.00 -0.10 -0.88 105.19 110.35 3kr6 n GLY 385 Ca 0.06 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 3kr6 n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr6 s THR 386 N 0.00 5.41 -0.04 2.61 2.01 -1.26 -0.12 115.64 124.24 3kr6 s THR 386 Ca 0.00 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.26 3kr6 s THR 386 Cb 0.00 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 3kr6 s THR 386 CO 0.00 0.43 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.23 3kr6 s THR 387 N 0.42 1.97 -0.20 -0.82 2.01 0.15 -2.66 115.64 116.50 3kr6 s THR 387 Ca 0.08 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.06 3kr6 s THR 387 Cb -0.11 -1.66 0.04 0.00 0.01 0.00 0.00 72.50 70.78 3kr6 s THR 387 CO -0.01 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 3kr6 s VAL 388 N -0.28 1.86 -0.34 3.82 1.01 -0.74 -0.45 120.40 125.28 3kr6 s VAL 388 Ca 0.01 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 3kr6 s VAL 388 Cb -0.12 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 3kr6 s VAL 388 CO 0.02 0.24 0.23 -0.69 0.00 0.00 0.00 175.10 174.91 3kr6 s VAL 389 N 1.31 5.22 0.59 2.92 1.01 0.01 -0.86 120.40 130.59 3kr6 s VAL 389 Ca -0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 3kr6 s VAL 389 Cb -0.16 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3kr6 s VAL 389 CO -0.09 -0.01 0.89 -0.62 0.00 0.00 0.00 175.10 175.27 3kr6 s ASP 390 N 1.71 5.56 -1.35 3.32 2.15 -0.30 -1.29 116.67 126.47 3kr6 s ASP 390 Ca 0.06 0.66 -0.05 0.00 0.43 0.00 0.00 52.55 53.64 3kr6 s ASP 390 Cb -0.17 -1.65 0.02 0.00 -0.30 0.00 0.00 42.92 40.82 3kr6 s ASP 390 CO 0.10 -1.07 0.94 0.54 -0.17 0.00 0.00 175.17 175.51 3kr6 n ARG 391 N -2.57 -6.13 0.00 4.34 1.74 -1.20 -4.16 116.66 108.68 3kr6 n ARG 391 Ca 0.05 0.71 0.13 0.00 -0.77 0.00 0.00 57.85 57.97 3kr6 n ARG 391 Cb 0.58 -5.57 0.76 0.00 -1.02 0.00 0.00 32.46 27.22 3kr6 n ARG 391 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3kr6 n ILE 392 N -4.51 0.00 0.30 0.55 -5.35 -1.21 -3.07 119.36 106.08 3kr6 n ILE 392 Ca -0.15 0.00 0.17 0.00 -0.27 0.00 0.00 62.75 62.51 3kr6 n ILE 392 Cb 0.61 -0.58 0.97 0.00 -1.74 0.00 0.00 39.64 38.90 3kr6 n ILE 392 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 3kr6 h TYR 393 N 0.00 0.00 -0.63 4.28 -0.00 -1.90 0.52 116.97 119.23 3kr6 h TYR 393 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 3kr6 h TYR 393 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.70 3kr6 h TYR 393 CO 0.00 0.03 0.38 0.45 -0.00 0.00 0.00 178.16 179.02 3kr6 h HIS 394 N 0.00 0.83 -0.42 0.10 3.86 -1.92 -1.94 115.15 115.67 3kr6 h HIS 394 Ca -0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3kr6 h HIS 394 Cb 0.11 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3kr6 h HIS 394 CO 0.00 0.56 -0.05 0.82 0.86 0.00 0.00 177.93 180.12 3kr6 h ILE 395 N 0.87 1.24 0.00 2.45 2.04 -1.14 -2.68 117.51 120.29 3kr6 h ILE 395 Ca 0.23 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3kr6 h ILE 395 Cb -0.03 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3kr6 h ILE 395 CO -0.04 0.35 -0.00 0.44 0.00 0.00 0.00 178.15 178.90 3kr6 h ASP 396 N 0.65 0.00 0.50 1.72 3.32 -1.28 -1.14 116.42 120.19 3kr6 h ASP 396 Ca 0.12 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3kr6 h ASP 396 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3kr6 h ASP 396 CO 0.02 0.00 -0.28 0.03 -1.72 0.00 0.00 179.24 177.29 3kr6 h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -1.44 -0.57 114.38 119.01 3kr6 h ARG 397 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kr6 h ARG 397 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3kr6 h ARG 397 CO 0.00 0.28 0.00 0.41 -1.07 0.00 0.00 179.97 179.59 3kr6 n GLY 398 N -0.36 0.46 3.14 0.04 0.00 -0.66 -3.94 105.19 103.87 3kr6 n GLY 398 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3kr6 n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kr6 s TYR 399 N -0.32 2.25 -0.26 1.61 1.51 -0.52 -4.80 117.35 116.81 3kr6 s TYR 399 Ca 0.00 -0.98 -0.19 0.00 -1.01 0.00 0.00 57.07 54.89 3kr6 s TYR 399 Cb 0.00 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 3kr6 s TYR 399 CO 0.00 -0.44 0.55 -2.00 -1.11 0.00 0.00 175.55 172.54 3kr6 s GLU 400 N 0.63 4.07 -1.35 -0.62 2.12 -1.26 -4.41 118.70 117.89 3kr6 s GLU 400 Ca -0.13 0.38 -0.02 0.00 0.36 0.00 0.00 54.97 55.56 3kr6 s GLU 400 Cb -0.16 -3.65 -0.00 0.00 0.26 0.00 0.00 34.13 30.57 3kr6 s GLU 400 CO 0.04 -0.37 0.53 0.54 -0.54 0.00 0.00 175.26 175.45 3kr6 n ARG 401 N 5.59 -3.57 0.07 4.30 1.74 -1.26 -4.87 116.66 118.66 3kr6 n ARG 401 Ca -0.03 0.47 0.02 0.00 -0.77 0.00 0.00 57.85 57.54 3kr6 n ARG 401 Cb 0.49 -4.68 0.37 0.00 -1.02 0.00 0.00 32.46 27.62 3kr6 n ARG 401 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3kr6 h ILE 402 N -1.85 1.17 0.06 0.55 2.10 -1.97 -1.14 117.51 116.43 3kr6 h ILE 402 Ca -0.63 -0.71 -0.00 0.00 1.08 0.00 0.00 64.86 64.60 3kr6 h ILE 402 Cb 1.37 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 38.15 3kr6 h ILE 402 CO 0.59 0.23 -0.03 -0.08 -1.08 0.00 0.00 178.15 177.79 3kr6 h GLU 403 N 0.34 -0.08 -0.69 2.19 4.81 -1.96 0.22 114.58 119.41 3kr6 h GLU 403 Ca 0.07 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3kr6 h GLU 403 Cb 0.31 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3kr6 h GLU 403 CO 0.01 -0.02 0.18 -0.44 -0.73 0.00 0.00 179.01 178.01 3kr6 h ASP 404 N -0.12 1.04 -0.43 1.04 3.45 -1.88 -0.57 116.42 118.95 3kr6 h ASP 404 Ca -0.01 -0.23 -0.12 0.00 0.43 0.00 0.00 57.03 57.11 3kr6 h ASP 404 Cb 0.10 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3kr6 h ASP 404 CO 0.01 1.00 -0.18 0.11 -1.57 0.00 0.00 179.24 178.61 3kr6 h LYS 405 N 1.04 0.88 -0.38 3.56 1.57 -0.94 -1.85 116.57 120.44 3kr6 h LYS 405 Ca 0.22 -0.38 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 3kr6 h LYS 405 Cb 0.36 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3kr6 h LYS 405 CO 0.00 1.02 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.56 3kr6 h LEU 406 N 0.71 0.83 -1.00 2.94 3.38 -0.46 -2.97 115.31 118.74 3kr6 h LEU 406 Ca 0.10 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kr6 h LEU 406 Cb 0.75 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3kr6 h LEU 406 CO 0.06 1.05 0.63 -0.09 0.09 0.00 0.00 178.44 180.18 3kr6 h ARG 407 N 0.69 1.31 0.00 1.13 2.43 -0.94 -0.67 114.38 118.32 3kr6 h ARG 407 Ca 0.08 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kr6 h ARG 407 Cb 0.81 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3kr6 h ARG 407 CO 0.07 0.88 0.00 0.00 -1.51 0.00 0.00 179.97 179.41 3kr6 h ALA 408 N 1.35 1.00 -0.02 2.80 0.00 -1.18 -0.79 119.26 122.42 3kr6 h ALA 408 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kr6 h ALA 408 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kr6 h ALA 408 CO -0.07 0.00 -0.05 1.28 0.00 0.00 0.00 179.25 180.40 3kr6 n LEU 409 N -2.33 2.44 0.00 0.00 4.77 -0.35 -4.73 117.00 116.80 3kr6 n LEU 409 Ca 0.01 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3kr6 n LEU 409 Cb 0.18 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kr6 n LEU 409 CO 0.18 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3kr6 n GLY 410 N 1.31 0.82 3.78 -0.72 0.00 -0.30 -1.36 105.19 108.73 3kr6 n GLY 410 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3kr6 n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr6 s ALA 411 N -2.00 2.82 -0.59 4.61 0.00 -0.63 -4.84 121.76 121.13 3kr6 s ALA 411 Ca 0.00 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.59 3kr6 s ALA 411 Cb 0.00 -3.31 0.15 0.00 0.00 0.00 0.00 23.12 19.96 3kr6 s ALA 411 CO 0.00 -0.52 0.49 1.21 0.00 0.00 0.00 175.76 176.94 3kr6 s ASN 412 N -1.81 5.96 0.01 0.00 3.84 -1.26 -4.45 114.94 117.24 3kr6 s ASN 412 Ca 0.68 -2.22 0.01 0.00 0.21 0.00 0.00 52.86 51.54 3kr6 s ASN 412 Cb -0.21 -2.07 -0.01 0.00 -0.55 0.00 0.00 41.25 38.41 3kr6 s ASN 412 CO 0.24 -0.64 -0.05 -0.51 -2.79 0.00 0.00 177.10 173.35 3kr6 s ILE 413 N 0.90 0.35 -0.01 -5.21 2.07 -1.26 -1.31 121.20 116.72 3kr6 s ILE 413 Ca 0.10 -0.51 -0.01 0.00 -1.41 0.00 0.00 60.65 58.82 3kr6 s ILE 413 Cb -0.22 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 42.01 3kr6 s ILE 413 CO -0.02 -0.12 0.03 -0.70 -1.91 0.00 0.00 174.94 172.22 3kr6 s GLU 414 N -0.68 0.03 -0.35 3.50 2.12 -0.59 -5.00 118.70 117.73 3kr6 s GLU 414 Ca -0.04 0.05 -0.19 0.00 0.36 0.00 0.00 54.97 55.15 3kr6 s GLU 414 Cb -0.05 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.33 3kr6 s GLU 414 CO -0.00 -0.02 0.58 0.50 -0.54 0.00 0.00 175.26 175.78 3kr6 s ARG 415 N 0.11 3.68 -0.21 4.30 3.52 -1.26 -0.98 118.95 128.11 3kr6 s ARG 415 Ca -0.01 -0.02 -0.10 0.00 -0.13 0.00 0.00 55.73 55.48 3kr6 s ARG 415 Cb -0.01 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 3kr6 s ARG 415 CO -0.00 -0.67 0.14 0.14 -0.81 0.00 0.00 175.30 174.09 3kr6 s VAL 416 N 2.55 5.36 -0.04 7.11 -7.23 0.05 -4.95 120.40 123.25 3kr6 s VAL 416 Ca 0.22 0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.59 3kr6 s VAL 416 Cb -0.15 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 3kr6 s VAL 416 CO 0.14 0.40 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.70 3kr6 s LYS 417 N 0.63 2.61 -0.32 4.82 1.02 -1.26 -1.53 119.74 125.71 3kr6 s LYS 417 Ca 0.08 -0.65 -0.07 0.00 0.02 0.00 0.00 55.97 55.35 3kr6 s LYS 417 Cb -0.12 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.70 3kr6 s LYS 417 CO 0.01 0.63 0.25 0.41 -0.92 0.00 0.00 175.35 175.73 3kr6 n GLY 418 N 2.02 -2.77 3.56 -3.33 0.00 -1.26 -5.02 105.19 98.38 3kr6 n GLY 418 Ca -0.17 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3kr6 n GLY 418 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50