#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqa s ASP 2 N 0.00 6.34 0.24 6.12 1.11 -1.26 -4.38 116.67 124.83 3kqa s ASP 2 Ca 0.00 2.71 0.04 0.00 0.18 0.00 0.00 52.55 55.48 3kqa s ASP 2 Cb 0.00 -2.64 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 3kqa s ASP 2 CO 0.00 -0.84 0.00 -0.54 1.18 0.00 0.00 175.17 174.97 3kqa s LYS 3 N -2.19 1.36 -0.14 8.23 3.01 0.03 -2.84 119.74 127.20 3kqa s LYS 3 Ca 0.56 -1.69 0.01 0.00 -1.01 0.00 0.00 55.97 53.83 3kqa s LYS 3 Cb -0.39 -0.63 -0.00 0.00 -1.01 0.00 0.00 37.83 35.79 3kqa s LYS 3 CO 0.51 -0.10 -0.16 -0.06 0.51 0.00 0.00 175.35 176.05 3kqa s PHE 4 N -3.41 2.76 -0.31 3.18 2.99 0.13 -0.68 117.98 122.63 3kqa s PHE 4 Ca 0.29 -0.97 -0.11 0.00 0.00 0.00 0.00 56.93 56.14 3kqa s PHE 4 Cb 0.06 -1.86 -0.02 0.00 0.00 0.00 0.00 43.02 41.20 3kqa s PHE 4 CO 0.09 -0.42 0.19 0.50 -0.00 0.00 0.00 175.22 175.58 3kqa s ARG 5 N 0.68 3.49 -0.01 0.44 3.52 0.58 -0.21 118.95 127.44 3kqa s ARG 5 Ca -0.08 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 3kqa s ARG 5 Cb -0.16 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 3kqa s ARG 5 CO 0.02 -0.39 -0.09 0.08 -0.81 0.00 0.00 175.30 174.11 3kqa s VAL 6 N 1.67 3.46 -0.13 7.11 1.01 0.15 -1.45 120.40 132.21 3kqa s VAL 6 Ca 0.06 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3kqa s VAL 6 Cb -0.17 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3kqa s VAL 6 CO 0.08 0.45 -0.20 -1.10 0.00 0.00 0.00 175.10 174.34 3kqa s GLN 7 N -1.22 2.74 0.44 2.72 -0.21 0.38 -0.37 119.66 124.14 3kqa s GLN 7 Ca 0.15 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.81 3kqa s GLN 7 Cb -0.11 -2.25 -0.01 0.00 1.00 0.00 0.00 33.01 31.64 3kqa s GLN 7 CO 0.05 -0.04 0.11 0.41 -2.12 0.00 0.00 175.29 173.70 3kqa n GLY 8 N 4.14 3.32 3.89 3.09 0.00 0.20 -4.23 105.19 115.60 3kqa n GLY 8 Ca -0.20 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.33 3kqa n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqa s PRO 9 N -3.66 3.72 0.02 1.61 0.04 -1.04 -2.24 135.00 133.45 3kqa s PRO 9 Ca 0.15 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.35 3kqa s PRO 9 Cb 0.01 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 3kqa s PRO 9 CO 0.11 0.25 -0.03 0.95 0.04 0.00 0.00 177.00 178.32 3kqa s THR 10 N -1.96 0.16 -0.19 1.26 -4.23 0.16 -4.98 115.64 105.86 3kqa s THR 10 Ca 0.46 -0.98 -0.13 0.00 -1.18 0.00 0.00 61.69 59.85 3kqa s THR 10 Cb -0.11 -0.37 -0.05 0.00 1.34 0.00 0.00 72.50 73.32 3kqa s THR 10 CO 0.26 -0.52 0.28 -0.60 -0.54 0.00 0.00 174.62 173.50 3kqa s ARG 11 N -1.62 4.19 -0.25 3.99 3.52 -1.26 -4.51 118.95 123.01 3kqa s ARG 11 Ca -0.14 0.03 -0.16 0.00 -0.13 0.00 0.00 55.73 55.33 3kqa s ARG 11 Cb -0.09 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 3kqa s ARG 11 CO -0.01 0.12 0.40 -0.51 -0.81 0.00 0.00 175.30 174.48 3kqa s LEU 12 N 0.86 4.07 0.11 -0.88 1.43 -1.26 -4.69 118.68 118.32 3kqa s LEU 12 Ca 0.15 0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 3kqa s LEU 12 Cb -0.13 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.65 3kqa s LEU 12 CO 0.05 -0.16 0.48 0.00 0.23 0.00 0.00 176.35 176.94 3kqa s GLN 13 N 1.87 1.11 0.00 1.70 -2.07 -0.59 -3.40 119.66 118.28 3kqa s GLN 13 Ca 0.17 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 3kqa s GLN 13 Cb -0.15 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.27 3kqa s GLN 13 CO 0.09 -0.44 0.00 0.41 -1.32 0.00 0.00 175.29 174.03 3kqa n GLY 14 N -0.10 0.33 3.03 2.60 0.00 0.09 -4.32 105.19 106.81 3kqa n GLY 14 Ca -0.17 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 3kqa n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kqa s GLU 15 N -0.18 0.44 0.01 1.61 2.12 -1.26 -1.72 118.70 119.72 3kqa s GLU 15 Ca 0.00 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.67 3kqa s GLU 15 Cb 0.00 -0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 3kqa s GLU 15 CO 0.00 0.02 -0.03 0.54 -0.54 0.00 0.00 175.26 175.25 3kqa s VAL 16 N -1.33 0.17 -0.21 3.70 0.11 -0.76 -4.79 120.40 117.30 3kqa s VAL 16 Ca -0.11 -0.52 -0.05 0.00 -2.93 0.00 0.00 61.98 58.36 3kqa s VAL 16 Cb -0.09 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 3kqa s VAL 16 CO -0.00 -0.23 0.01 -0.89 -3.33 0.00 0.00 175.10 170.66 3kqa s THR 17 N -0.76 4.01 0.06 5.04 2.01 -1.26 -0.72 115.64 124.01 3kqa s THR 17 Ca -0.07 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.33 3kqa s THR 17 Cb -0.05 -2.82 -0.06 0.00 0.01 0.00 0.00 72.50 69.58 3kqa s THR 17 CO -0.00 0.41 1.20 -0.63 -0.69 0.00 0.00 174.62 174.91 3kqa s ILE 18 N 1.12 4.02 0.80 1.82 -1.09 0.17 -4.92 121.20 123.13 3kqa s ILE 18 Ca 0.03 1.45 -0.12 0.00 -2.23 0.00 0.00 60.65 59.78 3kqa s ILE 18 Cb -0.14 -3.93 0.07 0.00 -1.58 0.00 0.00 42.46 36.88 3kqa s ILE 18 CO 0.02 0.11 1.12 -0.44 -1.23 0.00 0.00 174.94 174.51 3kqa s SER 19 N 1.07 4.50 0.45 3.58 0.01 -1.26 -4.79 113.70 117.26 3kqa s SER 19 Ca 0.59 1.14 -0.22 0.00 1.31 0.00 0.00 55.95 58.77 3kqa s SER 19 Cb -0.30 -1.82 -0.09 0.00 0.21 0.00 0.00 66.02 64.03 3kqa s SER 19 CO 0.29 -1.95 1.04 -0.83 0.41 0.00 0.00 173.24 172.21 3kqa s GLY 20 N -4.11 2.59 -0.02 3.44 0.00 -1.24 -0.31 107.32 107.68 3kqa s GLY 20 Ca 0.61 0.64 -0.30 0.00 0.00 0.00 0.00 44.72 45.67 3kqa s GLY 20 CO 0.53 1.00 1.42 0.00 0.00 0.00 0.00 173.10 176.05 3kqa s ALA 21 N -1.86 3.59 0.24 3.20 0.00 -0.16 -4.29 121.76 122.49 3kqa s ALA 21 Ca 0.64 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 3kqa s ALA 21 Cb -0.18 -3.62 0.26 0.00 0.00 0.00 0.00 23.12 19.58 3kqa s ALA 21 CO 0.23 -0.99 1.91 -0.22 0.00 0.00 0.00 175.76 176.69 3kqa h LYS 22 N 8.05 1.22 0.00 0.00 3.64 -1.91 -0.47 116.57 127.11 3kqa h LYS 22 Ca -0.37 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3kqa h LYS 22 Cb 1.17 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3kqa h LYS 22 CO 0.91 0.81 0.00 0.09 -2.27 0.00 0.00 179.45 178.99 3kqa n ASN 23 N -4.44 0.00 -0.04 4.20 3.02 -1.26 -1.24 115.26 115.49 3kqa n ASN 23 Ca 0.11 0.24 -0.04 0.00 -0.03 0.00 0.00 54.58 54.86 3kqa n ASN 23 Cb 0.04 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 38.79 3kqa n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqa n ALA 24 N -1.35 1.78 -0.12 5.41 0.00 -0.86 -4.50 120.51 120.88 3kqa n ALA 24 Ca 0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 3kqa n ALA 24 Cb 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 3kqa n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqa h ALA 25 N 0.43 0.47 0.39 0.00 0.00 -0.46 -2.52 119.26 117.58 3kqa h ALA 25 Ca -0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3kqa h ALA 25 Cb 1.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3kqa h ALA 25 CO 0.01 0.25 -0.19 -0.07 0.00 0.00 0.00 179.25 179.26 3kqa h LEU 26 N 0.43 -0.45 -1.43 0.00 3.38 -1.43 0.30 115.31 116.12 3kqa h LEU 26 Ca 0.10 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kqa h LEU 26 Cb 0.49 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3kqa h LEU 26 CO 0.02 -0.25 0.39 1.55 0.09 0.00 0.00 178.44 180.24 3kqa h PRO 27 N -0.62 0.77 -0.42 1.13 0.13 -1.79 -2.26 132.00 128.95 3kqa h PRO 27 Ca -0.05 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.96 3kqa h PRO 27 Cb 0.45 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 3kqa h PRO 27 CO 0.09 0.51 -0.02 0.82 -0.23 0.00 0.00 178.00 179.17 3kqa h ILE 28 N 0.79 1.26 -0.63 -3.56 2.04 -1.15 0.01 117.51 116.27 3kqa h ILE 28 Ca 0.22 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3kqa h ILE 28 Cb -0.08 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3kqa h ILE 28 CO -0.05 0.36 0.42 -0.07 0.00 0.00 0.00 178.15 178.81 3kqa h LEU 29 N 0.58 0.73 -0.03 1.44 3.38 0.14 -1.44 115.31 120.11 3kqa h LEU 29 Ca 0.12 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.81 3kqa h LEU 29 Cb 0.51 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kqa h LEU 29 CO 0.02 0.53 -1.09 -0.26 0.09 0.00 0.00 178.44 177.73 3kqa h PHE 30 N 0.86 0.75 -0.13 1.13 -1.00 -1.20 -3.01 116.94 114.34 3kqa h PHE 30 Ca 0.23 -0.45 0.04 0.00 2.81 0.00 0.00 57.97 60.60 3kqa h PHE 30 Cb -0.10 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 3kqa h PHE 30 CO 0.00 1.29 0.12 0.00 -1.61 0.00 0.00 178.31 178.11 3kqa h ALA 31 N 0.55 1.87 -0.17 2.45 0.00 -0.37 -1.23 119.26 122.36 3kqa h ALA 31 Ca -0.12 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3kqa h ALA 31 Cb 1.75 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 3kqa h ALA 31 CO 0.20 -0.18 0.16 0.00 0.00 0.00 0.00 179.25 179.42 3kqa h ALA 32 N 1.89 1.91 -0.02 0.00 0.00 -1.14 -1.17 119.26 120.73 3kqa h ALA 32 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kqa h ALA 32 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kqa h ALA 32 CO -0.00 -0.24 0.06 -0.07 0.00 0.00 0.00 179.25 179.00 3kqa h LEU 33 N 0.00 0.00 -0.48 0.00 3.38 -1.36 -0.25 115.31 116.59 3kqa h LEU 33 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3kqa h LEU 33 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kqa h LEU 33 CO -0.00 0.00 -0.35 -0.07 0.09 0.00 0.00 178.44 178.11 3kqa h LEU 34 N 0.00 0.00 -9.45 1.67 3.38 -1.40 -3.46 115.31 106.04 3kqa h LEU 34 Ca 0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.44 3kqa h LEU 34 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kqa h LEU 34 CO -0.00 0.35 0.70 0.00 0.09 0.00 0.00 178.44 179.59 3kqa s ALA 35 N -3.29 3.52 -2.23 1.53 0.00 -0.11 -4.16 121.76 117.02 3kqa s ALA 35 Ca 0.03 0.92 0.25 0.00 0.00 0.00 0.00 51.96 53.15 3kqa s ALA 35 Cb 0.09 -3.52 0.42 0.00 0.00 0.00 0.00 23.12 20.10 3kqa s ALA 35 CO 0.70 -0.66 1.36 0.39 0.00 0.00 0.00 175.76 177.55 3kqa n GLU 36 N 4.48 1.41 -4.25 0.00 1.02 -0.82 -4.01 120.64 118.48 3kqa n GLU 36 Ca 0.11 -1.04 -0.15 0.00 -0.02 0.00 0.00 57.16 56.06 3kqa n GLU 36 Cb 0.44 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 3kqa n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kqa s GLU 37 N -2.31 1.06 0.21 3.49 2.02 -1.22 -4.33 118.70 117.63 3kqa s GLU 37 Ca 0.25 -1.43 -0.31 0.00 0.02 0.00 0.00 54.97 53.50 3kqa s GLU 37 Cb 0.19 -0.67 -0.15 0.00 0.10 0.00 0.00 34.13 33.60 3kqa s GLU 37 CO 0.46 0.09 1.11 -2.30 0.02 0.00 0.00 175.26 174.64 3kqa n PRO 38 N -0.11 1.23 -4.61 0.39 -0.02 -1.26 -4.19 135.00 126.43 3kqa n PRO 38 Ca -0.11 0.44 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 3kqa n PRO 38 Cb 0.60 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 32.05 3kqa n PRO 38 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kqa s VAL 39 N -0.46 1.23 -0.19 -1.45 1.01 0.18 -2.12 120.40 118.60 3kqa s VAL 39 Ca 0.68 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3kqa s VAL 39 Cb -0.80 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 34.56 3kqa s VAL 39 CO 0.54 0.24 -0.18 -0.70 0.00 0.00 0.00 175.10 175.01 3kqa s GLU 40 N -0.64 2.78 -0.33 2.72 2.12 0.08 0.16 118.70 125.59 3kqa s GLU 40 Ca 0.05 -0.86 -0.08 0.00 0.36 0.00 0.00 54.97 54.44 3kqa s GLU 40 Cb -0.07 -2.54 0.02 0.00 0.26 0.00 0.00 34.13 31.80 3kqa s GLU 40 CO 0.00 -0.26 0.13 0.42 -0.54 0.00 0.00 175.26 175.01 3kqa s ILE 41 N 1.30 4.17 0.30 -3.70 1.09 0.00 -0.40 121.20 123.96 3kqa s ILE 41 Ca 0.03 -0.80 -0.02 0.00 -1.10 0.00 0.00 60.65 58.76 3kqa s ILE 41 Cb -0.14 -3.24 -0.04 0.00 -1.06 0.00 0.00 42.46 37.97 3kqa s ILE 41 CO -0.12 -0.06 0.52 -1.10 -0.10 0.00 0.00 174.94 174.08 3kqa s GLN 42 N 1.51 3.55 -1.17 2.79 -0.21 0.18 -0.59 119.66 125.72 3kqa s GLN 42 Ca 0.02 -0.18 -0.05 0.00 0.02 0.00 0.00 55.36 55.17 3kqa s GLN 42 Cb -0.18 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.15 3kqa s GLN 42 CO 0.04 0.22 1.01 -1.71 -2.12 0.00 0.00 175.29 172.73 3kqa n ASN 43 N -1.21 -4.43 -4.68 5.90 5.15 -1.04 -0.72 115.26 114.23 3kqa n ASN 43 Ca -0.03 -0.52 -0.38 0.00 -0.60 0.00 0.00 54.58 53.05 3kqa n ASN 43 Cb 0.55 -4.63 -0.07 0.00 -0.53 0.00 0.00 39.78 35.09 3kqa n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kqa s VAL 44 N -3.30 5.19 0.90 3.44 1.01 -0.80 -3.66 120.40 123.17 3kqa s VAL 44 Ca 0.32 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 3kqa s VAL 44 Cb -0.14 -3.76 0.13 0.00 0.00 0.00 0.00 36.38 32.61 3kqa s VAL 44 CO 0.66 0.26 1.09 -2.16 0.00 0.00 0.00 175.10 174.95 3kqa s PRO 45 N 1.20 1.24 -0.97 2.72 0.04 -1.26 -4.81 135.00 133.15 3kqa s PRO 45 Ca 0.21 0.87 -0.06 0.00 0.04 0.00 0.00 61.00 62.06 3kqa s PRO 45 Cb -0.15 -1.80 0.24 0.00 0.04 0.00 0.00 34.50 32.83 3kqa s PRO 45 CO 0.08 -2.27 0.90 0.15 0.04 0.00 0.00 177.00 175.91 3kqa s LYS 46 N -4.90 3.66 0.28 4.56 1.02 -1.26 -4.86 119.74 118.24 3kqa s LYS 46 Ca 0.64 -3.16 0.10 0.00 0.02 0.00 0.00 55.97 53.57 3kqa s LYS 46 Cb -0.18 -4.24 -0.05 0.00 -0.52 0.00 0.00 37.83 32.84 3kqa s LYS 46 CO 0.57 -1.25 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.10 3kqa s LEU 47 N -1.14 2.61 0.19 3.17 1.43 -1.26 -4.94 118.68 118.74 3kqa s LEU 47 Ca 0.28 -1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.14 3kqa s LEU 47 Cb -0.09 -0.94 0.18 0.00 0.03 0.00 0.00 46.19 45.37 3kqa s LEU 47 CO -0.10 -0.11 1.68 0.50 0.23 0.00 0.00 176.35 178.55 3kqa h LYS 48 N 2.26 0.09 -0.39 1.70 3.64 -1.86 -1.54 116.57 120.46 3kqa h LYS 48 Ca -0.40 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.02 3kqa h LYS 48 Cb 1.25 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3kqa h LYS 48 CO 0.64 0.06 0.27 -0.44 -2.27 0.00 0.00 179.45 177.70 3kqa h ASP 49 N 0.09 0.29 -0.18 4.20 5.19 -1.97 0.47 116.42 124.51 3kqa h ASP 49 Ca 0.25 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.56 3kqa h ASP 49 Cb 0.38 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 3kqa h ASP 49 CO -0.44 0.19 -0.27 0.40 -3.12 0.00 0.00 179.24 176.00 3kqa h ILE 50 N 0.33 1.34 -0.55 0.35 1.08 -1.64 -1.48 117.51 116.94 3kqa h ILE 50 Ca 0.17 -1.49 0.07 0.00 -0.39 0.00 0.00 64.86 63.22 3kqa h ILE 50 Cb 0.25 1.87 -0.06 0.00 -3.07 0.00 0.00 36.82 35.82 3kqa h ILE 50 CO -0.04 0.45 0.22 0.44 -0.69 0.00 0.00 178.15 178.54 3kqa h ASP 51 N 0.16 0.26 -0.66 1.72 3.32 -0.60 -1.21 116.42 119.40 3kqa h ASP 51 Ca 0.02 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3kqa h ASP 51 Cb 0.85 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 3kqa h ASP 51 CO 0.06 0.17 0.29 0.74 -1.72 0.00 0.00 179.24 178.78 3kqa h THR 52 N 0.42 1.23 -0.62 0.35 2.02 -0.92 -2.47 112.91 112.93 3kqa h THR 52 Ca 0.27 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 3kqa h THR 52 Cb 0.28 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3kqa h THR 52 CO -0.25 0.28 0.19 0.74 0.37 0.00 0.00 175.52 176.85 3kqa h THR 53 N 0.92 1.23 -0.30 3.16 2.02 -0.61 -1.07 112.91 118.27 3kqa h THR 53 Ca 0.22 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 3kqa h THR 53 Cb 0.16 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3kqa h THR 53 CO -0.02 0.31 0.02 0.24 0.37 0.00 0.00 175.52 176.44 3kqa h MET 54 N 0.91 0.51 -0.56 6.66 2.07 -0.95 0.10 114.93 123.67 3kqa h MET 54 Ca 0.20 -0.15 0.01 0.00 -2.07 0.00 0.00 59.70 57.69 3kqa h MET 54 Cb 0.27 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.92 3kqa h MET 54 CO -0.01 0.64 0.36 0.87 1.07 0.00 0.00 176.91 179.84 3kqa h LYS 55 N 0.32 0.72 -0.48 1.72 1.57 -1.22 -0.18 116.57 119.01 3kqa h LYS 55 Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3kqa h LYS 55 Cb 0.39 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3kqa h LYS 55 CO 0.01 0.47 0.25 1.25 -0.57 0.00 0.00 179.45 180.86 3kqa h LEU 56 N 0.74 0.61 -1.05 2.94 6.46 -0.90 -1.87 115.31 122.25 3kqa h LEU 56 Ca 0.21 -0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 3kqa h LEU 56 Cb -0.07 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 3kqa h LEU 56 CO -0.05 0.55 0.18 -0.07 -0.62 0.00 0.00 178.44 178.43 3kqa h LEU 57 N 0.63 0.80 -0.09 2.25 3.38 -0.42 -2.92 115.31 118.95 3kqa h LEU 57 Ca 0.17 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kqa h LEU 57 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kqa h LEU 57 CO -0.02 0.75 0.04 0.74 0.09 0.00 0.00 178.44 180.03 3kqa h THR 58 N 0.84 0.99 0.00 0.22 2.02 -0.59 -2.04 112.91 114.35 3kqa h THR 58 Ca 0.19 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3kqa h THR 58 Cb 0.24 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3kqa h THR 58 CO -0.01 0.02 0.07 -0.61 0.37 0.00 0.00 175.52 175.35 3kqa h GLN 59 N 0.08 0.00 -0.01 6.66 5.75 -1.16 -0.58 115.11 125.86 3kqa h GLN 59 Ca 0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3kqa h GLN 59 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 3kqa h GLN 59 CO -0.03 0.00 -0.17 1.28 -2.65 0.00 0.00 178.83 177.25 3kqa n LEU 60 N -2.88 1.03 0.00 -2.39 4.77 -0.91 -4.76 117.00 111.86 3kqa n LEU 60 Ca -0.03 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3kqa n LEU 60 Cb 0.12 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3kqa n LEU 60 CO 0.17 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3kqa n GLY 61 N 1.29 1.07 3.76 -0.72 0.00 -0.23 -1.49 105.19 108.87 3kqa n GLY 61 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3kqa n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 62 N -2.00 4.18 -0.29 2.61 2.01 -0.82 -3.85 115.64 117.49 3kqa s THR 62 Ca 0.00 1.93 -0.19 0.00 0.31 0.00 0.00 61.69 63.75 3kqa s THR 62 Cb 0.00 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 3kqa s THR 62 CO 0.00 0.48 0.55 -0.54 -0.69 0.00 0.00 174.62 174.42 3kqa s LYS 63 N -1.24 3.92 -0.02 4.92 1.02 -0.17 -4.16 119.74 124.01 3kqa s LYS 63 Ca 0.40 0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.62 3kqa s LYS 63 Cb -0.24 -3.71 -0.00 0.00 -0.52 0.00 0.00 37.83 33.36 3kqa s LYS 63 CO 0.29 -0.48 -0.09 0.08 -0.92 0.00 0.00 175.35 174.23 3kqa s VAL 64 N 2.42 0.77 -0.04 3.17 1.01 -1.26 -1.36 120.40 125.11 3kqa s VAL 64 Ca 0.22 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 3kqa s VAL 64 Cb -0.15 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.62 3kqa s VAL 64 CO 0.11 0.23 0.58 -1.83 0.00 0.00 0.00 175.10 174.18 3kqa s GLU 65 N 0.01 0.96 0.22 2.72 -1.05 -1.06 -5.01 118.70 115.48 3kqa s GLU 65 Ca -0.00 0.12 0.05 0.00 -0.15 0.00 0.00 54.97 54.99 3kqa s GLU 65 Cb -0.06 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.05 3kqa s GLU 65 CO 0.00 -0.29 0.18 2.89 0.95 0.00 0.00 175.26 178.99 3kqa n ARG 66 N 0.98 0.28 0.00 -4.83 1.85 -1.26 0.07 116.66 113.75 3kqa n ARG 66 Ca -0.20 -2.19 0.00 0.00 -1.00 0.00 0.00 57.85 54.46 3kqa n ARG 66 Cb 0.57 1.79 0.00 0.00 -1.05 0.00 0.00 32.46 33.77 3kqa n ARG 66 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3kqa n ASP 67 N -2.13 0.00 0.02 2.89 5.68 -1.26 -5.00 116.55 116.76 3kqa n ASP 67 Ca 0.05 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.45 3kqa n ASP 67 Cb 0.40 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.29 3kqa n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kqa n GLY 68 N 4.55 -1.14 3.86 6.12 0.00 -1.26 -5.17 105.19 112.14 3kqa n GLY 68 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 3kqa n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kqa s SER 69 N -4.35 5.92 -0.13 1.61 0.01 -1.26 -1.91 113.70 113.58 3kqa s SER 69 Ca -0.02 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.29 3kqa s SER 69 Cb 0.13 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.67 3kqa s SER 69 CO 0.85 0.10 -0.13 -0.69 0.41 0.00 0.00 173.24 173.79 3kqa s VAL 70 N -1.64 3.10 -0.21 3.43 1.01 0.24 -4.34 120.40 121.98 3kqa s VAL 70 Ca 0.32 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3kqa s VAL 70 Cb -0.11 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3kqa s VAL 70 CO 0.25 0.52 0.09 0.26 0.00 0.00 0.00 175.10 176.22 3kqa s TRP 71 N 0.36 3.22 -0.03 5.22 0.51 0.11 -0.82 118.94 127.51 3kqa s TRP 71 Ca -0.11 -0.01 0.06 0.00 -2.12 0.00 0.00 56.10 53.92 3kqa s TRP 71 Cb -0.16 -2.17 -0.01 0.00 -0.81 0.00 0.00 33.47 30.32 3kqa s TRP 71 CO 0.05 -0.00 -0.22 0.42 -0.51 0.00 0.00 176.95 176.70 3kqa s ILE 72 N 0.86 1.72 -0.32 2.03 -1.09 0.12 -2.57 121.20 121.96 3kqa s ILE 72 Ca 0.05 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.53 3kqa s ILE 72 Cb -0.13 -1.44 0.11 0.00 -1.58 0.00 0.00 42.46 39.41 3kqa s ILE 72 CO 0.03 0.49 0.14 -0.62 -1.23 0.00 0.00 174.94 173.74 3kqa s ASP 73 N -0.37 3.63 -0.16 3.58 3.68 -0.46 0.50 116.67 127.07 3kqa s ASP 73 Ca 0.05 -1.64 0.17 0.00 2.13 0.00 0.00 52.55 53.25 3kqa s ASP 73 Cb -0.10 -0.58 0.75 0.00 -1.45 0.00 0.00 42.92 41.54 3kqa s ASP 73 CO 0.00 -0.40 1.67 0.00 0.13 0.00 0.00 175.17 176.57 3kqa n ALA 74 N 4.81 3.36 0.12 3.66 0.00 -1.26 -1.00 120.51 130.20 3kqa n ALA 74 Ca -0.01 -1.74 0.15 0.00 0.00 0.00 0.00 53.44 51.84 3kqa n ALA 74 Cb 0.41 -1.04 0.69 0.00 0.00 0.00 0.00 19.45 19.51 3kqa n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqa h SER 75 N 3.98 0.00 -0.30 0.00 4.64 -1.75 -2.58 113.55 117.54 3kqa h SER 75 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3kqa h SER 75 Cb 1.64 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.69 3kqa h SER 75 CO 0.32 0.00 -0.01 0.59 -0.87 0.00 0.00 176.83 176.87 3kqa n ASN 76 N -4.37 3.36 -4.67 4.97 5.03 -1.26 -5.01 115.26 113.31 3kqa n ASN 76 Ca 0.04 -3.28 -0.48 0.00 0.87 0.00 0.00 54.58 51.73 3kqa n ASN 76 Cb 0.39 -0.58 -0.05 0.00 -1.02 0.00 0.00 39.78 38.52 3kqa n ASN 76 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3kqa n VAL 77 N -0.77 0.25 -0.94 2.41 0.31 -0.97 -4.79 118.33 113.83 3kqa n VAL 77 Ca 0.26 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 3kqa n VAL 77 Cb 0.95 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 3kqa n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3kqa n ASN 78 N 4.75 0.08 -4.07 4.52 0.23 -0.56 -4.98 115.26 115.23 3kqa n ASN 78 Ca 0.20 -1.02 -0.30 0.00 -0.53 0.00 0.00 54.58 52.92 3kqa n ASN 78 Cb 0.28 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.81 3kqa n ASN 78 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqa s ASN 79 N -0.02 2.75 -0.33 0.53 2.47 -0.78 -5.02 114.94 114.53 3kqa s ASN 79 Ca 0.00 -0.51 0.08 0.00 0.42 0.00 0.00 52.86 52.85 3kqa s ASN 79 Cb 0.00 -1.24 0.60 0.00 -1.45 0.00 0.00 41.25 39.16 3kqa s ASN 79 CO 0.00 -0.00 1.66 0.49 -3.72 0.00 0.00 177.10 175.52 3kqa n PHE 80 N 4.46 1.90 -4.73 0.43 3.72 -1.26 -4.52 117.46 117.46 3kqa n PHE 80 Ca -0.19 -1.53 -0.25 0.00 -0.05 0.00 0.00 57.45 55.43 3kqa n PHE 80 Cb 0.51 -0.64 -0.16 0.00 -0.94 0.00 0.00 39.48 38.24 3kqa n PHE 80 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kqa s SER 81 N -1.85 1.94 -0.41 4.37 0.15 -1.26 -1.05 113.70 115.58 3kqa s SER 81 Ca 0.50 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.76 3kqa s SER 81 Cb 0.43 -0.52 0.09 0.00 -1.71 0.00 0.00 66.02 64.31 3kqa s SER 81 CO 0.06 0.14 0.24 0.00 1.20 0.00 0.00 173.24 174.88 3kqa s ALA 82 N 0.05 3.24 0.68 5.45 0.00 -0.19 -4.82 121.76 126.17 3kqa s ALA 82 Ca -0.03 -2.25 -0.15 0.00 0.00 0.00 0.00 51.96 49.53 3kqa s ALA 82 Cb -0.11 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.45 3kqa s ALA 82 CO 0.02 -1.69 1.12 -1.25 0.00 0.00 0.00 175.76 173.96 3kqa s PRO 83 N 1.34 2.68 0.19 0.00 0.04 -1.26 -0.23 135.00 137.76 3kqa s PRO 83 Ca 0.04 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 3kqa s PRO 83 Cb -0.23 -1.93 0.21 0.00 0.04 0.00 0.00 34.50 32.59 3kqa s PRO 83 CO 0.00 -1.35 1.67 -0.92 0.04 0.00 0.00 177.00 176.43 3kqa h TYR 84 N -0.09 -0.10 0.00 0.56 3.20 -1.97 -1.43 116.97 117.14 3kqa h TYR 84 Ca -0.47 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3kqa h TYR 84 Cb 1.25 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.65 3kqa h TYR 84 CO 0.54 -0.16 0.07 0.38 -1.64 0.00 0.00 178.16 177.35 3kqa h ASP 85 N 0.08 0.00 0.00 -2.11 2.03 -2.00 0.67 116.42 115.09 3kqa h ASP 85 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 3kqa h ASP 85 Cb 0.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 3kqa h ASP 85 CO -0.48 0.00 -1.81 0.18 -1.03 0.00 0.00 179.24 176.11 3kqa n LEU 86 N -2.88 0.15 -0.00 0.15 4.77 -0.57 -4.57 117.00 114.04 3kqa n LEU 86 Ca -0.03 -0.08 0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3kqa n LEU 86 Cb 0.13 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 3kqa n LEU 86 CO 0.17 0.04 -0.34 1.33 -1.33 0.00 0.00 177.39 177.25 3kqa n VAL 87 N -2.12 0.00 -0.36 4.08 0.24 -0.78 -4.74 118.33 114.66 3kqa n VAL 87 Ca -0.03 -0.25 0.36 0.00 -2.04 0.00 0.00 64.34 62.38 3kqa n VAL 87 Cb 0.51 0.60 0.73 0.00 -1.47 0.00 0.00 33.84 34.22 3kqa n VAL 87 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3kqa h LYS 88 N 0.00 0.04 -0.18 7.34 2.10 -1.14 -0.80 116.57 123.92 3kqa h LYS 88 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqa h LYS 88 Cb 0.39 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3kqa h LYS 88 CO 0.00 0.02 0.00 0.25 -2.00 0.00 0.00 179.45 177.72 3kqa n THR 89 N -4.21 0.22 -3.48 0.07 -2.24 -1.26 -4.85 114.28 98.52 3kqa n THR 89 Ca 0.27 -0.58 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 3kqa n THR 89 Cb 1.28 1.17 -0.13 0.00 -2.10 0.00 0.00 70.33 70.56 3kqa n THR 89 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3kqa s MET 90 N -1.78 0.23 0.54 -0.78 0.00 -0.31 -4.99 119.30 112.20 3kqa s MET 90 Ca 0.33 -0.17 0.26 0.00 0.00 0.00 0.00 55.69 56.11 3kqa s MET 90 Cb 0.21 -1.05 1.54 0.00 0.00 0.00 0.00 34.83 35.53 3kqa s MET 90 CO 0.31 -0.90 2.14 0.00 0.00 0.00 0.00 175.02 176.56 3kqa h ARG 91 N 8.33 0.00 0.00 4.11 3.08 -1.89 -1.94 114.38 126.07 3kqa h ARG 91 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3kqa h ARG 91 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3kqa h ARG 91 CO 0.35 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 179.32 3kqa n ALA 92 N -2.34 1.17 0.29 0.04 0.00 -1.26 -1.72 120.51 116.69 3kqa n ALA 92 Ca -0.02 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.48 3kqa n ALA 92 Cb 0.17 -1.03 0.33 0.00 0.00 0.00 0.00 19.45 18.92 3kqa n ALA 92 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kqa n SER 93 N -1.41 0.27 0.29 0.00 3.41 -0.73 -1.64 113.62 113.81 3kqa n SER 93 Ca 0.01 0.59 0.15 0.00 -0.26 0.00 0.00 58.87 59.36 3kqa n SER 93 Cb 0.02 -0.64 0.87 0.00 -0.26 0.00 0.00 64.21 64.20 3kqa n SER 93 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3kqa h ILE 94 N 0.00 0.43 0.00 -1.33 6.09 -1.60 -2.47 117.51 118.63 3kqa h ILE 94 Ca 0.00 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3kqa h ILE 94 Cb 0.17 1.18 0.00 0.00 0.47 0.00 0.00 36.82 38.64 3kqa h ILE 94 CO 0.00 0.05 0.00 0.79 -3.07 0.00 0.00 178.15 175.92 3kqa n TRP 95 N -3.59 0.00 0.08 2.19 8.01 -0.65 -1.61 117.44 121.88 3kqa n TRP 95 Ca -0.02 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.22 3kqa n TRP 95 Cb 0.16 -0.07 -0.03 0.00 -2.01 0.00 0.00 31.31 29.37 3kqa n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3kqa h ALA 96 N 2.68 0.62 0.34 6.99 0.00 -1.68 -3.39 119.26 124.83 3kqa h ALA 96 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3kqa h ALA 96 Cb 0.02 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kqa h ALA 96 CO 0.00 0.50 -0.17 1.25 0.00 0.00 0.00 179.25 180.83 3kqa h LEU 97 N 0.00 -0.39 -0.14 0.00 5.85 -1.51 -2.81 115.31 116.31 3kqa h LEU 97 Ca -0.08 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3kqa h LEU 97 Cb 1.32 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 3kqa h LEU 97 CO 0.03 -0.24 -0.08 1.23 -0.34 0.00 0.00 178.44 179.03 3kqa h GLY 98 N -0.51 0.04 1.08 3.75 0.00 -1.76 -2.22 103.07 103.45 3kqa h GLY 98 Ca -0.05 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.40 3kqa h GLY 98 CO 0.08 -0.10 0.61 -2.55 0.00 0.00 0.00 176.54 174.58 3kqa h PRO 99 N -0.08 1.21 -0.08 4.80 0.11 -1.76 0.14 132.00 136.34 3kqa h PRO 99 Ca 0.08 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3kqa h PRO 99 Cb 0.20 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 3kqa h PRO 99 CO -0.19 0.80 0.01 -0.07 -0.21 0.00 0.00 178.00 178.34 3kqa h LEU 100 N 1.25 0.13 -0.82 2.35 3.38 -1.21 -1.22 115.31 119.15 3kqa h LEU 100 Ca 0.34 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3kqa h LEU 100 Cb -0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kqa h LEU 100 CO -0.08 0.36 -0.24 1.62 0.09 0.00 0.00 178.44 180.19 3kqa h VAL 101 N -0.12 1.27 -0.51 1.22 3.04 -1.26 0.36 116.25 120.25 3kqa h VAL 101 Ca 0.02 -1.31 -0.06 0.00 -1.01 0.00 0.00 66.70 64.34 3kqa h VAL 101 Cb 0.29 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 3kqa h VAL 101 CO 0.00 0.42 0.07 0.00 -1.01 0.00 0.00 177.57 177.06 3kqa h ALA 102 N 1.20 0.68 0.05 3.17 0.00 -0.62 -0.89 119.26 122.86 3kqa h ALA 102 Ca 0.08 -0.24 -0.33 0.00 0.00 0.00 0.00 54.91 54.41 3kqa h ALA 102 Cb 0.70 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3kqa h ALA 102 CO 0.05 0.42 -1.89 -2.13 0.00 0.00 0.00 179.25 175.71 3kqa n ARG 103 N -4.39 0.69 -0.00 0.00 0.63 -0.47 -4.59 116.66 108.54 3kqa n ARG 103 Ca 0.01 0.26 0.04 0.00 -0.92 0.00 0.00 57.85 57.25 3kqa n ARG 103 Cb 0.27 -1.74 -0.06 0.00 0.45 0.00 0.00 32.46 31.38 3kqa n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kqa n PHE 104 N -3.22 0.00 -0.38 -0.14 3.01 0.12 -5.02 117.46 111.83 3kqa n PHE 104 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.21 3kqa n PHE 104 Cb 1.05 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 40.45 3kqa n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kqa n GLY 105 N 1.48 0.70 3.56 1.37 0.00 -0.34 -4.97 105.19 106.99 3kqa n GLY 105 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3kqa n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kqa s GLN 106 N -0.61 0.93 0.00 1.61 -2.07 -1.25 -1.68 119.66 116.59 3kqa s GLN 106 Ca 0.00 -0.40 0.00 0.00 -1.82 0.00 0.00 55.36 53.14 3kqa s GLN 106 Cb 0.00 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 3kqa s GLN 106 CO 0.00 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 3kqa n GLY 107 N -0.31 1.00 3.31 2.60 0.00 -0.58 -3.45 105.19 107.76 3kqa n GLY 107 Ca -0.08 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 3kqa n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kqa s GLN 108 N -2.00 0.56 -0.11 1.61 -2.07 -0.21 -0.31 119.66 117.12 3kqa s GLN 108 Ca 0.00 0.41 0.01 0.00 -1.82 0.00 0.00 55.36 53.96 3kqa s GLN 108 Cb 0.00 0.27 0.02 0.00 -1.09 0.00 0.00 33.01 32.20 3kqa s GLN 108 CO 0.00 -0.10 -0.14 0.08 -1.32 0.00 0.00 175.29 173.81 3kqa s VAL 109 N -0.18 1.43 0.24 3.63 1.01 -0.18 -1.02 120.40 125.33 3kqa s VAL 109 Ca -0.03 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 3kqa s VAL 109 Cb -0.03 -1.32 -0.13 0.00 0.00 0.00 0.00 36.38 34.90 3kqa s VAL 109 CO 0.02 0.43 1.44 -0.24 0.00 0.00 0.00 175.10 176.75 3kqa n SER 110 N 4.28 2.89 -3.59 3.32 2.88 0.68 -1.09 113.62 123.00 3kqa n SER 110 Ca -0.19 1.14 -0.29 0.00 -1.33 0.00 0.00 58.87 58.20 3kqa n SER 110 Cb 0.51 -1.44 -0.12 0.00 -0.75 0.00 0.00 64.21 62.40 3kqa n SER 110 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3kqa s LEU 111 N 0.14 1.90 0.12 2.46 0.20 -0.23 -4.83 118.68 118.43 3kqa s LEU 111 Ca 0.69 -2.48 -0.31 0.00 0.69 0.00 0.00 54.13 52.72 3kqa s LEU 111 Cb -0.64 -0.73 -0.09 0.00 -0.43 0.00 0.00 46.19 44.30 3kqa s LEU 111 CO 0.48 -0.28 1.57 -2.16 -0.29 0.00 0.00 176.35 175.67 3kqa s PRO 112 N 0.62 4.23 -0.41 0.98 0.04 -1.26 -2.63 135.00 136.57 3kqa s PRO 112 Ca 0.19 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3kqa s PRO 112 Cb -0.22 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.00 3kqa s PRO 112 CO -0.01 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.82 3kqa n GLY 113 N 3.79 0.62 2.23 0.56 0.00 -1.26 -5.18 105.19 105.95 3kqa n GLY 113 Ca 0.14 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 3kqa n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 114 N -1.49 2.11 0.00 -0.02 0.00 -1.08 -5.07 105.19 99.64 3kqa n GLY 114 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3kqa n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa n ALA 116 N 2.75 0.00 0.43 4.61 0.00 -1.26 -4.88 120.51 122.16 3kqa n ALA 116 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.51 3kqa n ALA 116 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 3kqa n ALA 116 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kqa h ILE 117 N 0.01 0.00 -3.53 0.00 2.04 -2.06 -3.44 117.51 110.54 3kqa h ILE 117 Ca 0.00 -0.11 -0.55 0.00 1.00 0.00 0.00 64.86 65.20 3kqa h ILE 117 Cb 0.00 0.00 0.19 0.00 -0.74 0.00 0.00 36.82 36.27 3kqa h ILE 117 CO 0.00 0.00 -0.21 0.61 0.00 0.00 0.00 178.15 178.55 3kqa n GLY 118 N -1.21 -1.15 3.73 5.37 0.00 -1.26 -4.89 105.19 105.79 3kqa n GLY 118 Ca -0.14 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3kqa n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 119 N -2.02 3.62 0.23 4.61 0.00 -1.26 -5.03 121.76 121.91 3kqa s ALA 119 Ca 0.67 1.25 0.10 0.00 0.00 0.00 0.00 51.96 53.98 3kqa s ALA 119 Cb -0.31 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3kqa s ALA 119 CO 0.57 -0.68 -0.11 1.03 0.00 0.00 0.00 175.76 176.57 3kqa s ARG 120 N 0.22 1.96 0.58 0.00 1.81 -1.26 -5.02 118.95 117.24 3kqa s ARG 120 Ca 0.62 -1.46 0.27 0.00 -1.72 0.00 0.00 55.73 53.44 3kqa s ARG 120 Cb -0.40 -2.03 1.73 0.00 -0.45 0.00 0.00 34.95 33.80 3kqa s ARG 120 CO 0.38 0.39 2.23 -1.35 -0.68 0.00 0.00 175.30 176.27 3kqa h PRO 121 N 2.53 0.00 -0.06 3.54 0.11 -1.96 -0.97 132.00 135.19 3kqa h PRO 121 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3kqa h PRO 121 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kqa h PRO 121 CO 0.56 0.00 0.01 -0.24 -0.21 0.00 0.00 178.00 178.12 3kqa h VAL 122 N 0.00 1.04 -0.70 3.15 3.04 -1.95 -2.26 116.25 118.57 3kqa h VAL 122 Ca 0.00 -0.13 0.05 0.00 -1.01 0.00 0.00 66.70 65.62 3kqa h VAL 122 Cb 0.02 0.98 -0.04 0.00 -2.01 0.00 0.00 31.29 30.24 3kqa h VAL 122 CO -0.00 0.04 0.46 0.44 -1.01 0.00 0.00 177.57 177.50 3kqa h ASP 123 N 0.08 0.66 -0.93 3.17 3.32 -1.54 -1.34 116.42 119.84 3kqa h ASP 123 Ca 0.02 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3kqa h ASP 123 Cb 0.04 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 3kqa h ASP 123 CO -0.00 0.44 0.54 -0.07 -1.72 0.00 0.00 179.24 178.43 3kqa h LEU 124 N 0.76 1.14 -0.49 1.55 4.07 -1.56 0.56 115.31 121.33 3kqa h LEU 124 Ca 0.29 -0.08 -0.16 0.00 0.08 0.00 0.00 57.88 58.01 3kqa h LEU 124 Cb 0.20 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 3kqa h LEU 124 CO -0.09 0.88 -0.57 0.45 -1.08 0.00 0.00 178.44 178.03 3kqa h HIS 125 N 1.29 0.70 -0.41 1.13 3.86 -1.42 -2.60 115.15 117.69 3kqa h HIS 125 Ca 0.33 -0.26 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3kqa h HIS 125 Cb -0.03 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 3kqa h HIS 125 CO 0.01 1.00 0.15 0.82 0.86 0.00 0.00 177.93 180.76 3kqa h ILE 126 N 0.42 1.21 -0.45 2.45 2.04 -0.66 -2.05 117.51 120.47 3kqa h ILE 126 Ca 0.00 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.23 3kqa h ILE 126 Cb 1.12 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 3kqa h ILE 126 CO 0.11 0.24 0.23 0.15 0.00 0.00 0.00 178.15 178.88 3kqa h PHE 127 N 0.52 0.43 -0.63 1.37 3.04 -0.86 -0.65 116.94 120.16 3kqa h PHE 127 Ca 0.14 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 3kqa h PHE 127 Cb 0.22 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 3kqa h PHE 127 CO 0.01 0.23 0.33 0.78 -2.02 0.00 0.00 178.31 177.63 3kqa h GLY 128 N 0.47 0.96 1.71 2.40 0.00 -1.23 -1.87 103.07 105.50 3kqa h GLY 128 Ca 0.19 -0.45 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 3kqa h GLY 128 CO -0.12 0.43 -0.83 1.41 0.00 0.00 0.00 176.54 177.43 3kqa h LEU 129 N 0.86 0.34 -0.48 3.11 3.38 -1.14 -2.83 115.31 118.55 3kqa h LEU 129 Ca 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3kqa h LEU 129 Cb 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kqa h LEU 129 CO -0.03 1.03 0.22 -0.33 0.09 0.00 0.00 178.44 179.42 3kqa h GLU 130 N 0.16 0.70 -0.72 1.13 4.39 -0.97 -1.33 114.58 117.94 3kqa h GLU 130 Ca -0.04 -0.11 0.10 0.00 0.34 0.00 0.00 59.36 59.64 3kqa h GLU 130 Cb 1.44 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.92 3kqa h GLU 130 CO 0.13 0.60 0.47 0.87 -1.16 0.00 0.00 179.01 179.93 3kqa h LYS 131 N 0.64 0.59 -0.00 2.33 1.79 -1.29 0.43 116.57 121.05 3kqa h LYS 131 Ca 0.16 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3kqa h LYS 131 Cb 0.14 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3kqa h LYS 131 CO -0.02 0.39 -0.00 1.28 -1.08 0.00 0.00 179.45 180.02 3kqa n LEU 132 N -4.49 0.02 0.00 2.94 4.77 -0.83 -4.68 117.00 114.72 3kqa n LEU 132 Ca 0.12 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3kqa n LEU 132 Cb 0.34 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3kqa n LEU 132 CO 0.33 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3kqa n GLY 133 N 1.07 0.80 3.87 -0.72 0.00 0.15 -0.36 105.19 110.00 3kqa n GLY 133 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 3kqa n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 134 N -2.00 3.43 -0.22 4.61 0.00 -0.56 -4.72 121.76 122.31 3kqa s ALA 134 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 3kqa s ALA 134 Cb 0.00 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 3kqa s ALA 134 CO 0.00 0.21 0.16 -1.21 0.00 0.00 0.00 175.76 174.92 3kqa s GLU 135 N -3.40 4.14 -0.07 0.00 2.02 0.19 -4.09 118.70 117.49 3kqa s GLU 135 Ca 0.50 -0.21 0.04 0.00 0.02 0.00 0.00 54.97 55.32 3kqa s GLU 135 Cb -0.10 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 3kqa s GLU 135 CO 0.26 0.18 -0.18 0.42 0.02 0.00 0.00 175.26 175.95 3kqa s ILE 136 N 0.72 2.68 -0.01 -1.63 -1.09 -1.26 -2.44 121.20 118.16 3kqa s ILE 136 Ca 0.09 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 3kqa s ILE 136 Cb -0.12 -2.04 -0.00 0.00 -1.58 0.00 0.00 42.46 38.72 3kqa s ILE 136 CO 0.02 0.57 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.68 3kqa s LYS 137 N -0.31 0.70 -0.43 2.79 1.02 -0.46 -5.00 119.74 118.05 3kqa s LYS 137 Ca 0.02 -0.27 -0.13 0.00 0.02 0.00 0.00 55.97 55.62 3kqa s LYS 137 Cb -0.13 -0.68 0.06 0.00 -0.52 0.00 0.00 37.83 36.56 3kqa s LYS 137 CO 0.02 0.14 0.30 -0.51 -0.92 0.00 0.00 175.35 174.39 3kqa s LEU 138 N -0.02 5.23 -0.04 3.17 2.01 -1.26 -0.77 118.68 126.99 3kqa s LEU 138 Ca 0.01 -1.24 -0.25 0.00 0.01 0.00 0.00 54.13 52.66 3kqa s LEU 138 Cb -0.05 -2.09 0.05 0.00 0.01 0.00 0.00 46.19 44.11 3kqa s LEU 138 CO -0.00 -0.53 0.54 -1.83 1.01 0.00 0.00 176.35 175.53 3kqa s GLU 139 N 1.57 0.90 -1.57 1.70 -1.05 -0.71 -4.89 118.70 114.65 3kqa s GLU 139 Ca 0.03 0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 3kqa s GLU 139 Cb -0.22 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 3kqa s GLU 139 CO 0.06 -0.27 0.00 0.39 0.95 0.00 0.00 175.26 176.39 3kqa n GLU 140 N 1.13 -1.76 -1.19 -4.83 1.02 -1.26 -1.07 120.64 112.68 3kqa n GLU 140 Ca -0.20 0.88 -0.05 0.00 -0.02 0.00 0.00 57.16 57.78 3kqa n GLU 140 Cb 0.57 -5.43 -0.02 0.00 -0.02 0.00 0.00 31.44 26.54 3kqa n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kqa n GLY 141 N -0.75 0.70 3.23 0.62 0.00 -1.26 -5.02 105.19 102.72 3kqa n GLY 141 Ca -0.19 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 3kqa n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqa s TYR 142 N -2.17 1.52 -0.25 1.61 1.51 -0.23 -1.07 117.35 118.26 3kqa s TYR 142 Ca 0.00 -0.44 -0.12 0.00 -1.01 0.00 0.00 57.07 55.50 3kqa s TYR 142 Cb 0.00 -0.84 -0.05 0.00 -0.11 0.00 0.00 41.96 40.97 3kqa s TYR 142 CO 0.00 0.14 0.22 0.54 -1.11 0.00 0.00 175.55 175.34 3kqa s VAL 143 N -1.28 5.30 -0.00 0.71 0.11 -0.25 -1.73 120.40 123.26 3kqa s VAL 143 Ca 0.03 0.29 0.04 0.00 -2.93 0.00 0.00 61.98 59.41 3kqa s VAL 143 Cb -0.10 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 3kqa s VAL 143 CO 0.03 0.28 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.43 3kqa s LYS 144 N 1.43 2.40 0.04 1.54 1.02 0.05 -1.01 119.74 125.20 3kqa s LYS 144 Ca 0.10 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.30 3kqa s LYS 144 Cb -0.15 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 3kqa s LYS 144 CO 0.08 0.59 -0.04 0.00 -0.92 0.00 0.00 175.35 175.06 3kqa s ALA 145 N -0.90 0.36 0.04 5.17 0.00 0.57 -1.36 121.76 125.64 3kqa s ALA 145 Ca 0.15 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 51.01 3kqa s ALA 145 Cb -0.11 0.16 0.09 0.00 0.00 0.00 0.00 23.12 23.26 3kqa s ALA 145 CO 0.05 -0.19 0.75 -1.54 0.00 0.00 0.00 175.76 174.82 3kqa s SER 146 N -1.96 -0.50 -0.05 0.00 1.04 -1.02 -1.52 113.70 109.69 3kqa s SER 146 Ca -0.07 0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.46 3kqa s SER 146 Cb -0.04 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.58 3kqa s SER 146 CO -0.03 -0.73 0.16 0.54 0.98 0.00 0.00 173.24 174.15 3kqa s VAL 147 N -2.86 0.02 -0.40 5.02 0.11 -0.68 -0.64 120.40 120.98 3kqa s VAL 147 Ca 0.00 -0.15 -0.28 0.00 -2.93 0.00 0.00 61.98 58.62 3kqa s VAL 147 Cb -0.01 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.59 3kqa s VAL 147 CO -0.06 -0.08 1.03 0.20 -3.33 0.00 0.00 175.10 172.85 3kqa s ASN 148 N -0.24 6.72 0.78 3.54 0.02 -1.26 -4.73 114.94 119.77 3kqa s ASN 148 Ca -0.03 0.63 0.00 0.00 -1.02 0.00 0.00 52.86 52.43 3kqa s ASN 148 Cb -0.03 -2.51 0.00 0.00 0.02 0.00 0.00 41.25 38.74 3kqa s ASN 148 CO 0.01 -1.00 0.00 0.61 0.02 0.00 0.00 177.10 176.74 3kqa n GLY 149 N 4.44 0.54 3.59 0.66 0.00 -1.26 -4.86 105.19 108.29 3kqa n GLY 149 Ca 0.10 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 3kqa n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqa s ARG 150 N 0.00 1.99 0.93 1.61 0.52 -1.26 -4.76 118.95 117.98 3kqa s ARG 150 Ca 0.00 -1.73 -0.11 0.00 -0.52 0.00 0.00 55.73 53.38 3kqa s ARG 150 Cb 0.00 -1.90 0.15 0.00 0.52 0.00 0.00 34.95 33.72 3kqa s ARG 150 CO 0.00 0.22 1.12 -0.51 0.02 0.00 0.00 175.30 176.14 3kqa s LEU 151 N -3.65 2.51 -0.06 2.53 1.43 -1.26 -4.81 118.68 115.38 3kqa s LEU 151 Ca 0.33 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.44 3kqa s LEU 151 Cb -0.02 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.88 3kqa s LEU 151 CO 0.18 -3.08 -0.15 -0.75 0.23 0.00 0.00 176.35 172.78 3kqa s LYS 152 N -4.68 1.77 0.55 1.70 2.20 0.51 -0.21 119.74 121.57 3kqa s LYS 152 Ca 0.66 -0.52 -0.21 0.00 -0.36 0.00 0.00 55.97 55.55 3kqa s LYS 152 Cb -0.22 -1.48 -0.06 0.00 -1.51 0.00 0.00 37.83 34.56 3kqa s LYS 152 CO 0.59 0.13 1.08 0.41 -0.36 0.00 0.00 175.35 177.20 3kqa n GLY 153 N 3.47 0.00 3.36 5.54 0.00 0.68 -4.52 105.19 113.73 3kqa n GLY 153 Ca -0.20 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 3kqa n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 154 N -1.40 -0.36 -0.31 4.61 0.00 -1.16 -4.78 121.76 118.36 3kqa s ALA 154 Ca 0.72 -0.60 -0.18 0.00 0.00 0.00 0.00 51.96 51.90 3kqa s ALA 154 Cb -0.45 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3kqa s ALA 154 CO 0.50 -0.67 0.54 -1.58 0.00 0.00 0.00 175.76 174.55 3kqa s HIS 155 N -3.91 3.21 -0.11 0.00 2.46 -1.26 -1.34 115.29 114.34 3kqa s HIS 155 Ca 0.12 0.43 0.04 0.00 0.47 0.00 0.00 55.06 56.12 3kqa s HIS 155 Cb 0.02 -2.87 0.00 0.00 -0.13 0.00 0.00 32.58 29.60 3kqa s HIS 155 CO -0.04 -0.44 -0.24 0.42 -2.47 0.00 0.00 174.74 171.98 3kqa s ILE 156 N 2.42 2.06 -0.21 0.89 1.01 0.97 -4.95 121.20 123.39 3kqa s ILE 156 Ca 0.21 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 3kqa s ILE 156 Cb -0.15 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 3kqa s ILE 156 CO 0.12 0.56 -0.04 -0.69 0.00 0.00 0.00 174.94 174.88 3kqa s VAL 157 N 0.43 3.45 -0.35 2.92 1.01 -1.26 -0.23 120.40 126.37 3kqa s VAL 157 Ca -0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3kqa s VAL 157 Cb -0.18 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 3kqa s VAL 157 CO 0.07 0.43 0.29 -0.04 0.00 0.00 0.00 175.10 175.85 3kqa s MET 158 N 1.27 3.45 0.47 2.72 -1.94 -0.85 -4.93 119.30 119.48 3kqa s MET 158 Ca 0.03 -0.63 0.13 0.00 -1.71 0.00 0.00 55.69 53.52 3kqa s MET 158 Cb -0.14 -3.83 1.09 0.00 2.01 0.00 0.00 34.83 33.96 3kqa s MET 158 CO -0.01 -0.51 2.08 -0.44 -0.01 0.00 0.00 175.02 176.12 3kqa h ASP 159 N 8.51 0.10 -4.61 3.03 5.19 -1.93 -3.43 116.42 123.28 3kqa h ASP 159 Ca -0.30 -0.01 -0.32 0.00 -0.62 0.00 0.00 57.03 55.78 3kqa h ASP 159 Cb 1.15 -0.03 -0.22 0.00 0.18 0.00 0.00 39.33 40.41 3kqa h ASP 159 CO 0.66 0.14 -0.75 -0.75 -3.12 0.00 0.00 179.24 175.42 3kqa s LYS 160 N -5.01 0.60 0.10 3.56 2.20 -1.26 -5.12 119.74 114.81 3kqa s LYS 160 Ca -0.05 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.50 3kqa s LYS 160 Cb 0.17 -0.45 -0.06 0.00 -1.51 0.00 0.00 37.83 35.97 3kqa s LYS 160 CO 0.69 0.09 1.17 0.08 -0.36 0.00 0.00 175.35 177.02 3kqa s VAL 161 N -1.23 3.98 -0.10 4.02 1.01 -1.26 -5.02 120.40 121.80 3kqa s VAL 161 Ca -0.07 1.50 -0.03 0.00 0.00 0.00 0.00 61.98 63.39 3kqa s VAL 161 Cb -0.09 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.37 3kqa s VAL 161 CO 0.01 0.16 0.06 -0.55 0.00 0.00 0.00 175.10 174.78 3kqa s SER 162 N 0.68 1.71 0.09 3.32 0.15 -1.26 -5.00 113.70 113.38 3kqa s SER 162 Ca 0.56 -0.22 -0.19 0.00 0.70 0.00 0.00 55.95 56.79 3kqa s SER 162 Cb -0.29 -0.26 -0.08 0.00 -1.71 0.00 0.00 66.02 63.67 3kqa s SER 162 CO 0.31 -0.27 1.60 0.58 1.20 0.00 0.00 173.24 176.66 3kqa h VAL 163 N 6.42 1.20 0.07 4.45 2.07 -1.96 -1.15 116.25 127.35 3kqa h VAL 163 Ca -0.15 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.77 3kqa h VAL 163 Cb 1.13 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3kqa h VAL 163 CO 0.23 0.20 -0.19 1.23 0.02 0.00 0.00 177.57 179.05 3kqa h GLY 164 N 0.18 -0.32 1.61 2.17 0.00 -2.01 -2.09 103.07 102.62 3kqa h GLY 164 Ca 0.07 0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 3kqa h GLY 164 CO -0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 176.54 176.18 3kqa h ALA 165 N 0.49 1.21 -0.75 3.60 0.00 -1.87 -2.47 119.26 119.47 3kqa h ALA 165 Ca 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3kqa h ALA 165 Cb 0.38 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3kqa h ALA 165 CO -0.13 0.51 0.42 1.15 0.00 0.00 0.00 179.25 181.20 3kqa h THR 166 N 0.42 1.23 -0.05 0.00 2.02 -0.86 0.51 112.91 116.19 3kqa h THR 166 Ca 0.07 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 3kqa h THR 166 Cb 0.56 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3kqa h THR 166 CO 0.04 0.25 0.01 0.58 0.37 0.00 0.00 175.52 176.77 3kqa h VAL 167 N 1.04 1.19 -0.08 3.16 2.07 -1.13 0.28 116.25 122.79 3kqa h VAL 167 Ca 0.27 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3kqa h VAL 167 Cb 0.02 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3kqa h VAL 167 CO -0.04 0.16 -0.09 0.74 0.02 0.00 0.00 177.57 178.36 3kqa h THR 168 N -0.15 0.76 -0.21 2.57 2.02 -1.24 0.13 112.91 116.79 3kqa h THR 168 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3kqa h THR 168 Cb 0.24 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3kqa h THR 168 CO 0.00 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.32 3kqa h ILE 169 N -0.11 1.23 -0.36 3.11 2.04 -0.86 -1.97 117.51 120.59 3kqa h ILE 169 Ca 0.06 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 3kqa h ILE 169 Cb 0.20 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3kqa h ILE 169 CO -0.15 0.24 0.06 -0.03 0.00 0.00 0.00 178.15 178.28 3kqa h MET 170 N 0.15 0.60 -0.20 2.37 4.05 -0.85 -0.78 114.93 120.27 3kqa h MET 170 Ca 0.06 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 3kqa h MET 170 Cb 0.34 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 3kqa h MET 170 CO 0.01 0.66 0.06 0.77 0.23 0.00 0.00 176.91 178.64 3kqa h SER 171 N 0.44 0.29 0.08 1.39 0.02 -0.74 -2.91 113.55 112.13 3kqa h SER 171 Ca 0.11 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 3kqa h SER 171 Cb 0.35 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3kqa h SER 171 CO 0.01 0.42 -0.34 0.00 -1.14 0.00 0.00 176.83 175.78 3kqa h ALA 172 N 0.89 1.09 0.00 3.77 0.00 -1.36 -2.84 119.26 120.81 3kqa h ALA 172 Ca 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3kqa h ALA 172 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kqa h ALA 172 CO -0.00 0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.76 3kqa h ALA 173 N 1.32 1.19 0.00 0.00 0.00 -0.94 -2.42 119.26 118.41 3kqa h ALA 173 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kqa h ALA 173 Cb 0.75 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kqa h ALA 173 CO 0.06 0.07 -0.00 1.79 0.00 0.00 0.00 179.25 181.17 3kqa h THR 174 N 0.00 0.05 -0.14 0.00 1.35 -1.36 -1.17 112.91 111.64 3kqa h THR 174 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3kqa h THR 174 Cb 0.24 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3kqa h THR 174 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 3kqa n LEU 175 N -3.15 2.22 -4.75 3.87 4.77 -0.91 -1.82 117.00 117.23 3kqa n LEU 175 Ca -0.03 -1.67 -0.29 0.00 -0.03 0.00 0.00 56.01 53.99 3kqa n LEU 175 Cb 0.09 -0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.22 3kqa n LEU 175 CO 0.21 0.53 0.69 0.00 -1.33 0.00 0.00 177.39 177.49 3kqa s ALA 176 N -0.85 1.63 -0.28 -1.18 0.00 -0.44 -4.61 121.76 116.03 3kqa s ALA 176 Ca 0.12 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 3kqa s ALA 176 Cb 0.07 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 3kqa s ALA 176 CO 0.09 -2.31 0.32 -1.21 0.00 0.00 0.00 175.76 172.65 3kqa s GLU 177 N -5.11 3.97 0.00 0.00 2.02 0.71 -3.98 118.70 116.32 3kqa s GLU 177 Ca 0.63 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.54 3kqa s GLU 177 Cb -0.16 -3.67 0.00 0.00 0.10 0.00 0.00 34.13 30.40 3kqa s GLU 177 CO 0.55 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.98 3kqa n GLY 178 N 4.80 -1.41 3.58 -1.39 0.00 -1.26 -0.23 105.19 109.29 3kqa n GLY 178 Ca -0.10 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 3kqa n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 179 N 0.00 3.89 -0.02 2.61 2.01 -1.26 -0.76 115.64 122.11 3kqa s THR 179 Ca 0.00 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 61.65 3kqa s THR 179 Cb 0.00 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 3kqa s THR 179 CO 0.00 0.57 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.46 3kqa s THR 180 N -0.51 3.00 -0.12 -0.82 2.01 0.21 -2.99 115.64 116.43 3kqa s THR 180 Ca 0.08 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.20 3kqa s THR 180 Cb -0.12 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.20 3kqa s THR 180 CO 0.02 0.50 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.72 3kqa s ILE 181 N -0.81 1.17 -0.31 1.82 1.01 -0.45 -0.65 121.20 122.98 3kqa s ILE 181 Ca 0.13 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 3kqa s ILE 181 Cb -0.11 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3kqa s ILE 181 CO 0.03 0.39 0.19 -0.63 0.00 0.00 0.00 174.94 174.92 3kqa s ILE 182 N 1.53 5.06 -0.08 2.92 1.01 0.29 -0.02 121.20 131.91 3kqa s ILE 182 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 3kqa s ILE 182 Cb -0.13 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 3kqa s ILE 182 CO -0.07 0.12 0.23 -1.61 0.00 0.00 0.00 174.94 173.61 3kqa s GLU 183 N 1.70 3.62 -1.20 2.79 0.41 0.68 -1.15 118.70 125.54 3kqa s GLU 183 Ca 0.06 0.05 -0.03 0.00 -0.41 0.00 0.00 54.97 54.63 3kqa s GLU 183 Cb -0.17 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 3kqa s GLU 183 CO 0.09 0.74 0.45 -1.71 -0.49 0.00 0.00 175.26 174.34 3kqa n ASN 184 N 1.98 -5.07 -4.76 -0.19 4.05 0.11 -2.01 115.26 109.36 3kqa n ASN 184 Ca -0.18 -0.21 -0.35 0.00 0.45 0.00 0.00 54.58 54.29 3kqa n ASN 184 Cb 0.54 -3.93 0.02 0.00 1.23 0.00 0.00 39.78 37.65 3kqa n ASN 184 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kqa s ALA 185 N -3.02 2.59 0.45 5.20 0.00 0.31 -4.53 121.76 122.76 3kqa s ALA 185 Ca 0.23 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 3kqa s ALA 185 Cb -0.10 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 3kqa s ALA 185 CO 0.28 -1.03 1.39 0.00 0.00 0.00 0.00 175.76 176.40 3kqa s ALA 186 N -1.76 3.20 -1.29 0.00 0.00 -1.26 -4.53 121.76 116.12 3kqa s ALA 186 Ca 0.74 1.39 0.13 0.00 0.00 0.00 0.00 51.96 54.22 3kqa s ALA 186 Cb -0.26 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.31 3kqa s ALA 186 CO 0.32 -1.12 0.78 0.54 0.00 0.00 0.00 175.76 176.28 3kqa n ARG 187 N -0.21 1.74 -1.37 0.00 1.74 -1.26 -4.71 116.66 112.58 3kqa n ARG 187 Ca 0.05 -0.80 -0.41 0.00 -0.77 0.00 0.00 57.85 55.92 3kqa n ARG 187 Cb 0.43 -1.20 0.01 0.00 -1.02 0.00 0.00 32.46 30.68 3kqa n ARG 187 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kqa n GLU 188 N -0.05 0.26 0.00 5.56 4.71 -1.26 -4.56 120.64 125.30 3kqa n GLU 188 Ca 0.06 0.10 0.14 0.00 -0.01 0.00 0.00 57.16 57.45 3kqa n GLU 188 Cb 0.29 -1.26 0.59 0.00 -1.01 0.00 0.00 31.44 30.05 3kqa n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3kqa h PRO 189 N 0.47 0.19 -0.38 3.49 0.11 -1.97 0.96 132.00 134.87 3kqa h PRO 189 Ca -0.39 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 3kqa h PRO 189 Cb 1.42 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.47 3kqa h PRO 189 CO 0.48 0.13 -0.03 0.93 -0.21 0.00 0.00 178.00 179.30 3kqa h GLU 190 N 0.20 0.62 -0.43 1.05 3.07 -1.89 0.65 114.58 117.85 3kqa h GLU 190 Ca 0.22 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.88 3kqa h GLU 190 Cb 0.62 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 3kqa h GLU 190 CO -0.04 0.67 0.08 0.82 -1.40 0.00 0.00 179.01 179.14 3kqa h ILE 191 N 0.59 1.24 -0.75 3.13 1.08 -1.14 -0.83 117.51 120.83 3kqa h ILE 191 Ca 0.12 -0.86 -0.05 0.00 -0.39 0.00 0.00 64.86 63.67 3kqa h ILE 191 Cb 0.41 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 3kqa h ILE 191 CO 0.02 0.30 0.26 0.58 -0.69 0.00 0.00 178.15 178.62 3kqa h VAL 192 N 0.57 1.26 -0.33 1.67 2.07 -0.91 -1.03 116.25 119.56 3kqa h VAL 192 Ca 0.13 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 3kqa h VAL 192 Cb 0.36 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kqa h VAL 192 CO 0.01 0.35 -0.26 -0.78 0.02 0.00 0.00 177.57 176.91 3kqa h ASP 193 N 1.10 0.68 -0.23 0.57 3.58 -0.69 0.15 116.42 121.58 3kqa h ASP 193 Ca 0.24 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 3kqa h ASP 193 Cb 0.27 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 3kqa h ASP 193 CO -0.01 0.91 0.01 0.74 -2.88 0.00 0.00 179.24 178.01 3kqa h THR 194 N 0.58 1.25 -0.34 2.25 2.02 -0.85 0.11 112.91 117.93 3kqa h THR 194 Ca 0.08 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.40 3kqa h THR 194 Cb 0.74 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3kqa h THR 194 CO 0.06 0.27 0.20 0.00 0.37 0.00 0.00 175.52 176.42 3kqa h ALA 195 N 0.81 0.42 -0.29 6.16 0.00 -0.96 -0.59 119.26 124.81 3kqa h ALA 195 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kqa h ALA 195 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kqa h ALA 195 CO 0.01 -0.15 -0.03 -0.91 0.00 0.00 0.00 179.25 178.16 3kqa h ASN 196 N 0.41 0.42 -0.37 0.00 2.35 -0.53 -0.42 115.58 117.44 3kqa h ASN 196 Ca 0.13 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3kqa h ASN 196 Cb -0.00 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3kqa h ASN 196 CO -0.06 0.51 0.11 0.15 -1.65 0.00 0.00 177.43 176.49 3kqa h PHE 197 N 0.43 0.61 -0.73 1.19 3.57 -0.25 -0.42 116.94 121.33 3kqa h PHE 197 Ca 0.09 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3kqa h PHE 197 Cb 0.34 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3kqa h PHE 197 CO 0.01 0.58 0.44 -0.07 -2.23 0.00 0.00 178.31 177.05 3kqa h LEU 198 N 0.45 0.87 -0.70 0.59 3.38 -0.56 -1.84 115.31 117.51 3kqa h LEU 198 Ca 0.12 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3kqa h LEU 198 Cb 0.27 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3kqa h LEU 198 CO -0.00 0.67 0.45 0.58 0.09 0.00 0.00 178.44 180.24 3kqa h VAL 199 N 0.99 1.15 -0.15 1.22 2.07 -0.73 0.06 116.25 120.86 3kqa h VAL 199 Ca 0.26 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3kqa h VAL 199 Cb -0.04 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3kqa h VAL 199 CO -0.05 0.17 0.11 0.00 0.02 0.00 0.00 177.57 177.82 3kqa h ALA 200 N 1.27 2.05 -0.00 1.67 0.00 -0.26 0.13 119.26 124.11 3kqa h ALA 200 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kqa h ALA 200 Cb -0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kqa h ALA 200 CO -0.08 -0.19 -0.14 1.28 0.00 0.00 0.00 179.25 180.13 3kqa n LEU 201 N -4.35 0.32 0.00 0.00 4.77 -0.40 -4.84 117.00 112.51 3kqa n LEU 201 Ca 0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3kqa n LEU 201 Cb 0.24 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3kqa n LEU 201 CO 0.33 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3kqa n GLY 202 N 1.37 0.98 3.77 -0.72 0.00 0.44 -1.07 105.19 109.96 3kqa n GLY 202 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3kqa n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 203 N -2.00 2.17 -0.36 4.61 0.00 -0.13 -4.95 121.76 121.10 3kqa s ALA 203 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3kqa s ALA 203 Cb 0.00 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 20.00 3kqa s ALA 203 CO 0.00 -1.80 0.10 0.15 0.00 0.00 0.00 175.76 174.21 3kqa s LYS 204 N -4.97 1.78 0.06 0.00 1.02 -1.26 -4.35 119.74 112.02 3kqa s LYS 204 Ca 0.61 -1.80 0.05 0.00 0.02 0.00 0.00 55.97 54.86 3kqa s LYS 204 Cb -0.16 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 3kqa s LYS 204 CO 0.56 -0.96 -0.15 0.42 -0.92 0.00 0.00 175.35 174.31 3kqa s ILE 205 N 1.03 1.15 0.04 2.17 1.01 -1.26 -0.84 121.20 124.49 3kqa s ILE 205 Ca 0.08 -1.21 -0.14 0.00 0.00 0.00 0.00 60.65 59.38 3kqa s ILE 205 Cb -0.21 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.21 3kqa s ILE 205 CO -0.06 -0.13 0.32 -0.94 0.00 0.00 0.00 174.94 174.13 3kqa s SER 206 N -1.53 -0.15 0.00 3.58 1.04 -0.16 -4.89 113.70 111.59 3kqa s SER 206 Ca -0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3kqa s SER 206 Cb -0.09 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3kqa s SER 206 CO 0.02 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.23 3kqa n GLY 207 N 0.59 0.91 3.73 7.32 0.00 -1.26 -0.60 105.19 115.87 3kqa n GLY 207 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3kqa n GLY 207 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kqa s GLN 208 N -0.49 4.13 0.00 1.61 0.00 -1.26 -0.63 119.66 123.02 3kqa s GLN 208 Ca 0.00 2.59 0.00 0.00 -0.00 0.00 0.00 55.36 57.95 3kqa s GLN 208 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 33.01 29.94 3kqa s GLN 208 CO 0.00 -0.72 0.00 0.41 0.00 0.00 0.00 175.29 174.98 3kqa n GLY 209 N 3.59 2.83 3.96 2.60 0.00 -1.26 -4.93 105.19 111.98 3kqa n GLY 209 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3kqa n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kqa s THR 210 N -2.53 2.05 -1.41 2.61 -4.23 0.20 -4.81 115.64 107.51 3kqa s THR 210 Ca 0.00 -1.26 0.22 0.00 -1.18 0.00 0.00 61.69 59.48 3kqa s THR 210 Cb 0.00 -2.31 0.38 0.00 1.34 0.00 0.00 72.50 71.91 3kqa s THR 210 CO 0.00 0.00 1.72 -0.90 -0.54 0.00 0.00 174.62 174.90 3kqa n ASP 211 N -1.92 0.00 -3.89 3.99 3.85 -1.26 -4.64 116.55 112.67 3kqa n ASP 211 Ca 0.06 -0.01 -0.26 0.00 -0.71 0.00 0.00 54.79 53.87 3kqa n ASP 211 Cb 0.63 -0.30 -0.17 0.00 -1.35 0.00 0.00 41.12 39.93 3kqa n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3kqa s ARG 212 N -2.59 1.39 -0.09 0.11 3.52 -1.26 0.04 118.95 120.07 3kqa s ARG 212 Ca 0.21 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 3kqa s ARG 212 Cb 0.15 -1.49 -0.02 0.00 -1.56 0.00 0.00 34.95 32.03 3kqa s ARG 212 CO 0.34 -0.26 -0.11 0.42 -0.81 0.00 0.00 175.30 174.88 3kqa s ILE 213 N 1.71 3.29 -0.17 4.11 1.01 -0.30 -4.48 121.20 126.37 3kqa s ILE 213 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3kqa s ILE 213 Cb -0.13 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.00 3kqa s ILE 213 CO -0.07 0.56 -0.17 -0.89 0.00 0.00 0.00 174.94 174.36 3kqa s THR 214 N -0.22 2.40 -0.10 2.92 2.01 0.23 -0.54 115.64 122.33 3kqa s THR 214 Ca 0.02 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.21 3kqa s THR 214 Cb -0.13 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 3kqa s THR 214 CO 0.03 0.52 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.63 3kqa s ILE 215 N 1.13 2.33 -0.29 1.82 1.09 0.17 -0.99 121.20 126.45 3kqa s ILE 215 Ca 0.01 -0.93 -0.04 0.00 -1.10 0.00 0.00 60.65 58.59 3kqa s ILE 215 Cb -0.14 -1.91 0.03 0.00 -1.06 0.00 0.00 42.46 39.38 3kqa s ILE 215 CO -0.07 0.55 0.02 -0.70 -0.10 0.00 0.00 174.94 174.65 3kqa s GLU 216 N 0.28 2.69 0.60 2.79 2.12 -0.02 0.67 118.70 127.83 3kqa s GLU 216 Ca -0.15 -1.10 -0.20 0.00 0.36 0.00 0.00 54.97 53.88 3kqa s GLU 216 Cb -0.17 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3kqa s GLU 216 CO 0.08 -0.54 1.29 0.41 -0.54 0.00 0.00 175.26 175.95 3kqa n GLY 217 N 4.72 0.57 3.48 -1.50 0.00 0.06 -4.00 105.19 108.52 3kqa n GLY 217 Ca -0.14 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 3kqa n GLY 217 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqa s VAL 218 N -1.35 1.07 0.10 1.61 -7.23 -0.75 -4.67 120.40 109.17 3kqa s VAL 218 Ca 0.78 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.79 3kqa s VAL 218 Cb -0.40 -2.68 -0.07 0.00 0.56 0.00 0.00 36.38 33.80 3kqa s VAL 218 CO 0.44 0.00 1.48 -0.33 -0.31 0.00 0.00 175.10 176.39 3kqa h GLU 219 N 2.01 0.62 -3.14 4.82 4.39 -1.89 -3.40 114.58 117.98 3kqa h GLU 219 Ca -0.40 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.06 3kqa h GLU 219 Cb 1.25 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.79 3kqa h GLU 219 CO 0.67 0.82 0.13 -0.98 -1.16 0.00 0.00 179.01 178.49 3kqa s ARG 220 N -4.70 1.49 0.04 2.33 1.70 -1.26 -5.00 118.95 113.54 3kqa s ARG 220 Ca -0.13 -0.81 0.04 0.00 -0.47 0.00 0.00 55.73 54.36 3kqa s ARG 220 Cb 0.09 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.99 3kqa s ARG 220 CO 0.79 -0.65 -0.07 -0.51 -1.08 0.00 0.00 175.30 173.78 3kqa s LEU 221 N -2.86 3.16 0.00 -1.89 1.43 -1.26 -4.89 118.68 112.37 3kqa s LEU 221 Ca 0.08 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3kqa s LEU 221 Cb -0.03 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3kqa s LEU 221 CO -0.02 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3kqa n GLY 222 N 1.26 0.58 0.00 -3.19 0.00 -0.23 -1.94 105.19 101.66 3kqa n GLY 222 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kqa n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 223 N 5.00 5.48 0.00 -0.02 0.00 -1.26 -2.85 105.19 111.54 3kqa n GLY 223 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3kqa n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 224 N 0.60 0.56 3.05 -0.02 0.00 -0.90 -4.58 105.19 103.90 3kqa n GLY 224 Ca 0.00 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 3kqa n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kqa s VAL 225 N -3.29 0.99 -0.08 1.61 1.01 -1.26 -0.74 120.40 118.65 3kqa s VAL 225 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 3kqa s VAL 225 Cb 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.53 3kqa s VAL 225 CO 0.00 0.30 0.25 -0.47 0.00 0.00 0.00 175.10 175.18 3kqa s TYR 226 N 0.12 -0.24 -0.21 5.22 5.04 0.47 -4.96 117.35 122.78 3kqa s TYR 226 Ca -0.03 0.58 -0.04 0.00 -2.44 0.00 0.00 57.07 55.14 3kqa s TYR 226 Cb -0.09 0.08 -0.01 0.00 0.35 0.00 0.00 41.96 42.29 3kqa s TYR 226 CO 0.01 -0.17 -0.03 0.50 -1.34 0.00 0.00 175.55 174.52 3kqa s ARG 227 N -0.12 3.45 0.33 4.97 3.52 -1.26 0.48 118.95 130.31 3kqa s ARG 227 Ca -0.02 -0.60 -0.29 0.00 -0.13 0.00 0.00 55.73 54.69 3kqa s ARG 227 Cb -0.03 -3.02 -0.10 0.00 -1.56 0.00 0.00 34.95 30.23 3kqa s ARG 227 CO 0.01 -0.13 1.39 0.08 -0.81 0.00 0.00 175.30 175.84 3kqa s VAL 228 N 1.32 2.49 0.72 7.11 1.01 0.10 -4.91 120.40 128.24 3kqa s VAL 228 Ca 0.04 0.48 -0.14 0.00 0.00 0.00 0.00 61.98 62.35 3kqa s VAL 228 Cb -0.14 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.96 3kqa s VAL 228 CO -0.01 0.11 1.15 -1.48 0.00 0.00 0.00 175.10 174.87 3kqa s LEU 229 N -1.60 3.29 0.65 3.92 2.34 -1.26 -4.77 118.68 121.26 3kqa s LEU 229 Ca 0.52 2.15 -0.18 0.00 0.06 0.00 0.00 54.13 56.68 3kqa s LEU 229 Cb -0.42 -4.57 -0.01 0.00 -0.56 0.00 0.00 46.19 40.64 3kqa s LEU 229 CO 0.54 -2.04 1.28 -2.84 -1.06 0.00 0.00 176.35 172.23 3kqa s PRO 230 N -4.12 2.52 -0.61 1.48 0.02 -1.26 -0.98 135.00 132.04 3kqa s PRO 230 Ca 0.69 2.01 -0.28 0.00 0.02 0.00 0.00 61.00 63.45 3kqa s PRO 230 Cb -0.24 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.45 3kqa s PRO 230 CO 0.45 -1.61 1.41 0.34 -0.33 0.00 0.00 177.00 177.26 3kqa s ASP 231 N -1.48 6.08 0.45 2.53 -1.08 0.58 -4.24 116.67 119.50 3kqa s ASP 231 Ca 0.81 0.09 0.12 0.00 -0.52 0.00 0.00 52.55 53.06 3kqa s ASP 231 Cb -0.36 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 39.57 3kqa s ASP 231 CO 0.40 -1.79 2.05 0.08 0.52 0.00 0.00 175.17 176.43 3kqa h ARG 232 N 11.07 0.19 0.04 4.34 0.11 -1.90 -1.26 114.38 126.95 3kqa h ARG 232 Ca -0.27 -0.02 -0.24 0.00 0.10 0.00 0.00 59.98 59.55 3kqa h ARG 232 Cb 1.09 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 32.13 3kqa h ARG 232 CO 1.21 0.20 -1.03 0.82 0.10 0.00 0.00 179.97 181.27 3kqa h ILE 233 N 0.19 1.41 -0.54 0.08 1.08 -1.96 -0.76 117.51 117.00 3kqa h ILE 233 Ca 0.05 -2.56 -0.11 0.00 -0.39 0.00 0.00 64.86 61.84 3kqa h ILE 233 Cb 0.12 2.54 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 3kqa h ILE 233 CO 0.00 0.76 -0.09 -0.08 -0.69 0.00 0.00 178.15 178.05 3kqa h GLU 234 N 0.21 1.03 -0.09 2.37 4.81 -1.91 0.69 114.58 121.68 3kqa h GLU 234 Ca -0.10 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3kqa h GLU 234 Cb 1.68 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.98 3kqa h GLU 234 CO 0.18 1.06 -0.02 1.15 -0.73 0.00 0.00 179.01 180.65 3kqa h THR 235 N 0.90 0.91 -0.36 0.32 2.02 -1.13 -1.25 112.91 114.32 3kqa h THR 235 Ca 0.14 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 3kqa h THR 235 Cb 0.66 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3kqa h THR 235 CO 0.05 0.00 0.21 1.23 0.37 0.00 0.00 175.52 177.38 3kqa h GLY 236 N 0.00 0.52 0.91 2.16 0.00 -0.85 -1.49 103.07 104.33 3kqa h GLY 236 Ca 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3kqa h GLY 236 CO -0.09 0.20 0.01 -0.84 0.00 0.00 0.00 176.54 175.82 3kqa h THR 237 N 0.50 1.26 -0.00 4.70 2.02 -0.12 -1.62 112.91 119.63 3kqa h THR 237 Ca 0.13 -0.95 -0.12 0.00 0.77 0.00 0.00 66.41 66.24 3kqa h THR 237 Cb -0.00 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3kqa h THR 237 CO -0.02 0.32 -0.57 -0.26 0.37 0.00 0.00 175.52 175.35 3kqa h PHE 238 N 0.42 0.02 -0.52 3.16 -1.00 -0.86 -1.38 116.94 116.78 3kqa h PHE 238 Ca 0.10 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 3kqa h PHE 238 Cb 0.44 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 3kqa h PHE 238 CO 0.03 0.58 0.12 -0.07 -1.61 0.00 0.00 178.31 177.37 3kqa h LEU 239 N 0.01 0.79 -0.71 1.54 3.38 -1.17 -2.80 115.31 116.34 3kqa h LEU 239 Ca -0.01 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3kqa h LEU 239 Cb 1.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3kqa h LEU 239 CO 0.07 0.82 0.09 0.58 0.09 0.00 0.00 178.44 180.09 3kqa h VAL 240 N 0.72 1.26 -0.90 1.22 2.07 -1.02 -0.54 116.25 119.06 3kqa h VAL 240 Ca 0.16 -1.05 0.12 0.00 0.82 0.00 0.00 66.70 66.75 3kqa h VAL 240 Cb 0.34 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 3kqa h VAL 240 CO 0.00 0.39 0.58 0.00 0.02 0.00 0.00 177.57 178.56 3kqa h ALA 241 N 1.08 1.70 0.18 1.67 0.00 -1.03 -0.27 119.26 122.60 3kqa h ALA 241 Ca 0.20 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 3kqa h ALA 241 Cb 0.45 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kqa h ALA 241 CO 0.02 0.08 -1.46 0.00 0.00 0.00 0.00 179.25 177.88 3kqa h ALA 242 N 1.57 0.05 0.00 0.00 0.00 -1.21 -3.26 119.26 116.41 3kqa h ALA 242 Ca 0.44 -0.96 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kqa h ALA 242 Cb 0.55 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kqa h ALA 242 CO -0.20 0.92 -0.01 0.00 0.00 0.00 0.00 179.25 179.95 3kqa h ALA 243 N 0.35 1.05 -0.01 0.00 0.00 -0.04 -0.38 119.26 120.22 3kqa h ALA 243 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kqa h ALA 243 Cb 2.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.86 3kqa h ALA 243 CO 0.22 0.02 -0.69 0.44 0.00 0.00 0.00 179.25 179.23 3kqa n ILE 244 N -3.17 0.00 -0.80 0.00 -5.35 -0.21 -4.06 119.36 105.76 3kqa n ILE 244 Ca -0.02 -0.15 0.08 0.00 -0.27 0.00 0.00 62.75 62.39 3kqa n ILE 244 Cb 0.17 1.12 0.13 0.00 -1.74 0.00 0.00 39.64 39.32 3kqa n ILE 244 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3kqa n SER 245 N -0.76 2.55 -1.32 7.28 3.41 -0.91 -4.88 113.62 118.99 3kqa n SER 245 Ca 0.06 -2.81 -0.14 0.00 -0.26 0.00 0.00 58.87 55.72 3kqa n SER 245 Cb 0.38 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 3kqa n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqa n GLY 246 N -1.01 0.72 2.12 5.00 0.00 -1.15 -4.34 105.19 106.53 3kqa n GLY 246 Ca 0.13 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 3kqa n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 247 N -1.14 0.12 3.08 -0.02 0.00 -0.20 -3.51 105.19 103.51 3kqa n GLY 247 Ca -0.15 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 3kqa n GLY 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kqa s LYS 248 N -4.08 0.22 0.06 1.61 2.20 -1.22 -1.31 119.74 117.23 3kqa s LYS 248 Ca 0.38 0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 56.49 3kqa s LYS 248 Cb -0.02 -0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 3kqa s LYS 248 CO 0.25 -0.18 0.21 -1.50 -0.36 0.00 0.00 175.35 173.77 3kqa s ILE 249 N 1.45 0.12 -0.07 5.43 2.07 0.15 -0.73 121.20 129.63 3kqa s ILE 249 Ca -0.08 -0.99 0.04 0.00 -1.41 0.00 0.00 60.65 58.21 3kqa s ILE 249 Cb -0.10 -1.10 0.00 0.00 0.13 0.00 0.00 42.46 41.38 3kqa s ILE 249 CO -0.09 -0.54 -0.18 -0.69 -1.91 0.00 0.00 174.94 171.53 3kqa s VAL 250 N -3.15 1.54 -0.32 4.00 1.01 -0.70 -0.88 120.40 121.90 3kqa s VAL 250 Ca -0.01 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 3kqa s VAL 250 Cb 0.02 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3kqa s VAL 250 CO -0.07 0.44 0.15 0.00 0.00 0.00 0.00 175.10 175.62 3kqa s ARG 252 N 1.58 3.65 -1.31 0.00 1.81 0.10 -2.23 118.95 122.55 3kqa s ARG 252 Ca 0.04 0.09 -0.04 0.00 -1.72 0.00 0.00 55.73 54.09 3kqa s ARG 252 Cb -0.17 -2.59 0.01 0.00 -0.45 0.00 0.00 34.95 31.75 3kqa s ARG 252 CO 0.06 0.15 1.00 0.09 -0.68 0.00 0.00 175.30 175.91 3kqa n ASN 253 N -1.10 -3.50 -4.89 0.23 4.13 -1.00 -0.65 115.26 108.48 3kqa n ASN 253 Ca -0.01 -0.65 -0.24 0.00 1.68 0.00 0.00 54.58 55.36 3kqa n ASN 253 Cb 0.54 -4.74 -0.02 0.00 -1.54 0.00 0.00 39.78 34.02 3kqa n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kqa s ALA 254 N -3.40 4.24 -0.38 5.41 0.00 -0.47 -4.42 121.76 122.74 3kqa s ALA 254 Ca 0.26 -1.63 0.03 0.00 0.00 0.00 0.00 51.96 50.61 3kqa s ALA 254 Cb -0.12 -0.85 0.16 0.00 0.00 0.00 0.00 23.12 22.31 3kqa s ALA 254 CO 0.76 -0.37 0.36 -1.14 0.00 0.00 0.00 175.76 175.37 3kqa s GLN 255 N -4.22 0.69 0.48 0.00 0.74 -1.26 -4.15 119.66 111.93 3kqa s GLN 255 Ca 0.42 -1.13 0.22 0.00 0.05 0.00 0.00 55.36 54.91 3kqa s GLN 255 Cb -0.02 -0.88 1.23 0.00 1.10 0.00 0.00 33.01 34.44 3kqa s GLN 255 CO 0.25 -1.23 1.93 -1.35 -0.55 0.00 0.00 175.29 174.33 3kqa h PRO 256 N 6.73 0.21 0.00 1.67 0.11 -1.84 -2.68 132.00 136.20 3kqa h PRO 256 Ca 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3kqa h PRO 256 Cb 1.02 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kqa h PRO 256 CO 0.22 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 177.75 3kqa n ASP 257 N -4.42 0.00 -0.78 -2.05 3.85 -1.26 -0.72 116.55 111.16 3kqa n ASP 257 Ca 0.15 -0.04 0.11 0.00 -0.71 0.00 0.00 54.79 54.30 3kqa n ASP 257 Cb 0.66 -0.19 0.07 0.00 -1.35 0.00 0.00 41.12 40.30 3kqa n ASP 257 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3kqa n THR 258 N -1.19 0.00 -0.81 2.12 -2.24 -1.01 -4.44 114.28 106.71 3kqa n THR 258 Ca 0.07 -0.46 0.06 0.00 -2.27 0.00 0.00 64.05 61.44 3kqa n THR 258 Cb 0.08 1.41 0.09 0.00 -2.10 0.00 0.00 70.33 69.80 3kqa n THR 258 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqa n LEU 259 N 0.98 2.02 -0.30 3.22 4.77 0.10 -4.88 117.00 122.92 3kqa n LEU 259 Ca 0.12 -2.54 -0.00 0.00 -0.03 0.00 0.00 56.01 53.55 3kqa n LEU 259 Cb 0.51 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 3kqa n LEU 259 CO 0.15 0.60 0.64 0.44 -1.33 0.00 0.00 177.39 177.89 3kqa h ASP 260 N 0.00 -1.09 -0.50 -1.43 3.32 -1.77 0.71 116.42 115.67 3kqa h ASP 260 Ca 0.00 0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3kqa h ASP 260 Cb 0.88 0.61 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 3kqa h ASP 260 CO 0.00 -0.29 0.19 0.00 -1.72 0.00 0.00 179.24 177.42 3kqa h ALA 261 N 1.47 0.64 -0.19 3.45 0.00 -1.89 -0.69 119.26 122.05 3kqa h ALA 261 Ca 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kqa h ALA 261 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kqa h ALA 261 CO -0.86 0.26 0.05 0.28 0.00 0.00 0.00 179.25 178.99 3kqa h VAL 262 N 0.66 1.19 -0.55 0.00 2.07 -1.60 -0.92 116.25 117.10 3kqa h VAL 262 Ca 0.16 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3kqa h VAL 262 Cb 0.21 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3kqa h VAL 262 CO -0.01 0.19 0.34 -0.07 0.02 0.00 0.00 177.57 178.04 3kqa h LEU 263 N 0.13 0.65 -0.39 2.57 3.38 -0.70 0.24 115.31 121.20 3kqa h LEU 263 Ca 0.06 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3kqa h LEU 263 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kqa h LEU 263 CO -0.00 0.51 0.19 0.00 0.09 0.00 0.00 178.44 179.22 3kqa h ALA 264 N 1.17 0.48 -0.55 1.53 0.00 -1.09 0.13 119.26 120.93 3kqa h ALA 264 Ca 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3kqa h ALA 264 Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3kqa h ALA 264 CO -0.04 -0.18 0.18 -0.22 0.00 0.00 0.00 179.25 179.00 3kqa h LYS 265 N 0.38 0.82 -0.32 0.00 1.63 -0.57 -1.43 116.57 117.07 3kqa h LYS 265 Ca 0.17 -0.14 -0.12 0.00 -0.85 0.00 0.00 60.65 59.70 3kqa h LYS 265 Cb 0.08 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3kqa h LYS 265 CO -0.12 0.70 -0.31 -0.07 -3.45 0.00 0.00 179.45 176.20 3kqa h LEU 266 N 0.80 0.70 -1.02 5.20 3.38 0.61 -2.35 115.31 122.63 3kqa h LEU 266 Ca 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kqa h LEU 266 Cb 0.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3kqa h LEU 266 CO -0.01 0.96 0.35 0.03 0.09 0.00 0.00 178.44 179.86 3kqa h ARG 267 N 0.58 1.04 0.00 1.13 3.08 -0.19 -1.46 114.38 118.56 3kqa h ARG 267 Ca 0.07 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3kqa h ARG 267 Cb 0.81 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3kqa h ARG 267 CO 0.07 0.81 -0.22 0.93 -1.07 0.00 0.00 179.97 180.48 3kqa h GLU 268 N 1.04 0.00 -0.02 0.04 5.08 -0.97 -0.72 114.58 119.03 3kqa h GLU 268 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3kqa h GLU 268 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kqa h GLU 268 CO -0.03 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 3kqa n ALA 269 N -2.37 2.63 -0.00 3.43 0.00 -0.62 -4.77 120.51 118.81 3kqa n ALA 269 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3kqa n ALA 269 Cb 0.31 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3kqa n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqa n GLY 270 N 0.94 0.89 3.75 0.00 0.00 -0.28 0.12 105.19 110.62 3kqa n GLY 270 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3kqa n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 271 N -2.00 3.33 -0.47 4.61 0.00 -0.81 -4.86 121.76 121.56 3kqa s ALA 271 Ca 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 3kqa s ALA 271 Cb 0.00 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.96 3kqa s ALA 271 CO 0.00 0.20 0.49 0.34 0.00 0.00 0.00 175.76 176.79 3kqa s ASP 272 N -1.21 6.19 -0.03 0.00 2.15 -0.56 -4.41 116.67 118.80 3kqa s ASP 272 Ca 0.42 -1.02 0.06 0.00 0.43 0.00 0.00 52.55 52.44 3kqa s ASP 272 Cb -0.25 -2.23 -0.02 0.00 -0.30 0.00 0.00 42.92 40.11 3kqa s ASP 272 CO 0.32 -0.73 -0.21 -0.63 -0.17 0.00 0.00 175.17 173.75 3kqa s ILE 273 N 2.14 2.52 0.05 4.11 1.01 -1.26 -1.39 121.20 128.38 3kqa s ILE 273 Ca 0.10 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3kqa s ILE 273 Cb -0.21 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3kqa s ILE 273 CO 0.10 0.57 -0.11 -1.61 0.00 0.00 0.00 174.94 173.89 3kqa s GLU 274 N -0.71 0.71 0.05 2.79 2.02 -0.86 -4.99 118.70 117.72 3kqa s GLU 274 Ca 0.11 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.29 3kqa s GLU 274 Cb -0.10 -0.63 -0.03 0.00 0.10 0.00 0.00 34.13 33.47 3kqa s GLU 274 CO -0.00 0.14 -0.06 0.95 0.02 0.00 0.00 175.26 176.31 3kqa s THR 275 N -1.20 0.43 0.08 3.63 -4.23 -1.26 -0.56 115.64 112.53 3kqa s THR 275 Ca -0.04 -1.33 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3kqa s THR 275 Cb -0.09 -0.88 -0.00 0.00 1.34 0.00 0.00 72.50 72.86 3kqa s THR 275 CO 0.01 -0.60 0.03 0.61 -0.54 0.00 0.00 174.62 174.13 3kqa n GLY 276 N 0.98 3.95 0.30 3.99 0.00 -0.57 -4.98 105.19 108.86 3kqa n GLY 276 Ca -0.20 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3kqa n GLY 276 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kqa h GLU 277 N 0.00 0.70 0.00 1.61 4.11 -2.02 -3.29 114.58 115.69 3kqa h GLU 277 Ca -0.06 -0.10 -0.06 0.00 0.07 0.00 0.00 59.36 59.21 3kqa h GLU 277 Cb 0.24 -0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.23 3kqa h GLU 277 CO 0.10 0.57 -0.58 -0.40 0.07 0.00 0.00 179.01 178.77 3kqa n ASP 278 N -4.35 1.08 -3.80 3.06 3.85 -1.26 -4.63 116.55 110.49 3kqa n ASP 278 Ca 0.04 -2.57 -0.09 0.00 -0.71 0.00 0.00 54.79 51.46 3kqa n ASP 278 Cb 0.15 -0.34 -0.06 0.00 -1.35 0.00 0.00 41.12 39.52 3kqa n ASP 278 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 3kqa s TRP 279 N -1.15 0.08 -0.03 2.11 1.48 -1.24 -1.37 118.94 118.82 3kqa s TRP 279 Ca 0.24 -0.46 -0.02 0.00 -1.06 0.00 0.00 56.10 54.80 3kqa s TRP 279 Cb 0.25 0.06 0.01 0.00 -1.16 0.00 0.00 33.47 32.62 3kqa s TRP 279 CO -0.06 -0.64 0.07 0.42 -4.06 0.00 0.00 176.95 172.68 3kqa s ILE 280 N -3.86 -0.00 0.05 0.66 1.01 -0.95 -1.51 121.20 116.60 3kqa s ILE 280 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.78 3kqa s ILE 280 Cb 0.03 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.37 3kqa s ILE 280 CO -0.09 0.00 -0.18 -0.94 0.00 0.00 0.00 174.94 173.73 3kqa s SER 281 N 0.05 2.11 -0.01 3.58 1.04 0.28 -0.07 113.70 120.69 3kqa s SER 281 Ca -0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3kqa s SER 281 Cb -0.01 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.98 3kqa s SER 281 CO 0.00 0.08 0.01 -0.22 0.98 0.00 0.00 173.24 174.09 3kqa s LEU 282 N -1.31 1.66 -0.03 2.42 0.20 -0.06 -2.03 118.68 119.53 3kqa s LEU 282 Ca 0.04 0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.87 3kqa s LEU 282 Cb -0.09 -0.04 0.03 0.00 -0.43 0.00 0.00 46.19 45.66 3kqa s LEU 282 CO 0.02 -0.05 0.01 -0.62 -0.29 0.00 0.00 176.35 175.43 3kqa s ASP 283 N 0.39 0.42 0.00 3.68 -1.08 -0.48 -0.67 116.67 118.93 3kqa s ASP 283 Ca -0.03 -0.00 0.24 0.00 -0.52 0.00 0.00 52.55 52.24 3kqa s ASP 283 Cb -0.05 -0.18 0.29 0.00 -1.46 0.00 0.00 42.92 41.52 3kqa s ASP 283 CO -0.01 -0.12 1.30 0.23 0.52 0.00 0.00 175.17 177.08 3kqa n MET 284 N 4.27 1.69 -3.71 4.34 2.81 -0.42 -1.50 117.12 124.60 3kqa n MET 284 Ca -0.25 -1.32 -0.28 0.00 -1.81 0.00 0.00 57.70 54.04 3kqa n MET 284 Cb 0.50 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 3kqa n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3kqa n HIS 285 N 0.50 -1.93 -1.18 2.03 8.25 -1.26 -0.41 115.22 121.23 3kqa n HIS 285 Ca 0.13 0.67 -0.06 0.00 -0.26 0.00 0.00 57.72 58.20 3kqa n HIS 285 Cb 0.50 -3.28 -0.03 0.00 1.12 0.00 0.00 29.99 28.30 3kqa n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqa n GLY 286 N -1.38 0.81 3.68 -1.41 0.00 -1.23 -5.01 105.19 100.65 3kqa n GLY 286 Ca 0.02 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 3kqa n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqa s LYS 287 N -2.13 2.81 0.62 1.61 -0.14 0.45 -4.91 119.74 118.06 3kqa s LYS 287 Ca 0.00 -0.58 -0.18 0.00 -1.36 0.00 0.00 55.97 53.85 3kqa s LYS 287 Cb 0.00 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.45 3kqa s LYS 287 CO 0.00 0.64 1.19 1.03 -0.76 0.00 0.00 175.35 177.44 3kqa s ARG 288 N -1.43 2.85 0.85 1.68 0.52 -1.26 -4.38 118.95 117.77 3kqa s ARG 288 Ca 0.18 1.73 -0.12 0.00 -0.52 0.00 0.00 55.73 57.01 3kqa s ARG 288 Cb -0.11 -1.92 0.10 0.00 0.52 0.00 0.00 34.95 33.53 3kqa s ARG 288 CO 0.09 -1.28 1.10 -1.25 0.02 0.00 0.00 175.30 173.98 3kqa s PRO 289 N -3.52 1.67 -0.20 3.54 0.04 -1.26 -4.85 135.00 130.41 3kqa s PRO 289 Ca 0.75 0.67 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 3kqa s PRO 289 Cb -0.28 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3kqa s PRO 289 CO 0.35 -1.91 0.01 0.15 0.04 0.00 0.00 177.00 175.64 3kqa s LYS 290 N -5.09 3.65 0.32 4.56 1.02 0.12 -1.31 119.74 123.01 3kqa s LYS 290 Ca 0.62 -0.50 -0.27 0.00 0.02 0.00 0.00 55.97 55.84 3kqa s LYS 290 Cb -0.16 -3.12 -0.13 0.00 -0.52 0.00 0.00 37.83 33.90 3kqa s LYS 290 CO 0.55 0.01 0.94 0.00 -0.92 0.00 0.00 175.35 175.93 3kqa n ALA 291 N 4.27 -0.41 -2.39 5.17 0.00 -0.33 -4.22 120.51 122.60 3kqa n ALA 291 Ca -0.17 0.35 -0.20 0.00 0.00 0.00 0.00 53.44 53.42 3kqa n ALA 291 Cb 0.52 -1.99 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 3kqa n ALA 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kqa s VAL 292 N -1.13 0.74 -0.12 0.00 -7.23 -1.26 -4.82 120.40 106.59 3kqa s VAL 292 Ca 0.60 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.77 3kqa s VAL 292 Cb -0.68 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.60 3kqa s VAL 292 CO 0.59 0.00 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.38 3kqa s THR 293 N -3.52 3.29 -0.01 5.32 2.01 -1.26 -3.37 115.64 118.10 3kqa s THR 293 Ca 0.35 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.79 3kqa s THR 293 Cb 0.07 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 3kqa s THR 293 CO 0.15 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.82 3kqa s VAL 294 N 0.06 0.83 -0.14 3.82 1.01 -0.46 -4.92 120.40 120.60 3kqa s VAL 294 Ca -0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3kqa s VAL 294 Cb -0.14 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.57 3kqa s VAL 294 CO 0.04 0.24 0.00 -0.60 0.00 0.00 0.00 175.10 174.78 3kqa s ARG 295 N -0.13 0.82 0.70 2.72 3.52 -1.26 0.10 118.95 125.43 3kqa s ARG 295 Ca 0.02 -0.22 -0.12 0.00 -0.13 0.00 0.00 55.73 55.28 3kqa s ARG 295 Cb -0.05 -1.62 0.02 0.00 -1.56 0.00 0.00 34.95 31.73 3kqa s ARG 295 CO -0.00 -0.45 1.08 0.95 -0.81 0.00 0.00 175.30 176.06 3kqa s THR 296 N 1.86 3.67 -0.06 4.11 -4.23 0.62 -4.43 115.64 117.19 3kqa s THR 296 Ca 0.02 0.60 -0.31 0.00 -1.18 0.00 0.00 61.69 60.82 3kqa s THR 296 Cb -0.15 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.62 3kqa s THR 296 CO -0.07 -0.65 1.25 0.00 -0.54 0.00 0.00 174.62 174.61 3kqa s ALA 297 N -2.83 -2.16 0.95 3.99 0.00 -0.79 -4.00 121.76 116.92 3kqa s ALA 297 Ca 0.61 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 53.36 3kqa s ALA 297 Cb -0.16 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.23 3kqa s ALA 297 CO 0.51 -0.93 0.39 -2.30 0.00 0.00 0.00 175.76 173.43 3kqa n PRO 298 N -0.38 -0.28 -2.28 0.00 -0.02 -1.26 -4.28 135.00 126.50 3kqa n PRO 298 Ca -0.06 -0.04 -0.36 0.00 -2.02 0.00 0.00 63.50 61.02 3kqa n PRO 298 Cb 0.61 -1.84 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 3kqa n PRO 298 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kqa s HIS 299 N -2.38 2.84 -0.90 6.00 2.46 -1.26 0.02 115.29 122.07 3kqa s HIS 299 Ca 0.57 1.54 0.03 0.00 0.47 0.00 0.00 55.06 57.67 3kqa s HIS 299 Cb -0.21 -3.33 0.19 0.00 -0.13 0.00 0.00 32.58 29.09 3kqa s HIS 299 CO 0.68 -1.46 0.81 -0.35 -2.47 0.00 0.00 174.74 171.94 3kqa n PRO 300 N -0.71 1.86 -1.70 2.88 -0.04 -1.26 -4.86 135.00 131.18 3kqa n PRO 300 Ca 0.08 -0.71 -0.30 0.00 -0.04 0.00 0.00 63.50 62.53 3kqa n PRO 300 Cb 0.49 -1.64 0.22 0.00 -0.04 0.00 0.00 33.50 32.53 3kqa n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kqa s ALA 301 N -1.43 1.71 -0.09 0.55 0.00 0.10 -4.41 121.76 118.20 3kqa s ALA 301 Ca 0.12 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 3kqa s ALA 301 Cb 0.09 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.38 3kqa s ALA 301 CO 0.04 -2.92 2.07 0.12 0.00 0.00 0.00 175.76 175.06 3kqa s PHE 302 N -3.71 1.26 0.30 0.00 5.36 -1.26 -4.78 117.98 115.15 3kqa s PHE 302 Ca 0.75 0.02 -0.30 0.00 -0.96 0.00 0.00 56.93 56.44 3kqa s PHE 302 Cb -0.04 -4.10 -0.12 0.00 -0.34 0.00 0.00 43.02 38.43 3kqa s PHE 302 CO 0.54 -4.82 1.56 -0.35 -1.46 0.00 0.00 175.22 170.69 3kqa n PRO 303 N 8.09 2.63 0.22 10.12 -0.04 -1.26 -1.88 135.00 152.88 3kqa n PRO 303 Ca 0.24 0.93 0.05 0.00 -0.04 0.00 0.00 63.50 64.68 3kqa n PRO 303 Cb 0.43 -2.70 0.48 0.00 -0.04 0.00 0.00 33.50 31.67 3kqa n PRO 303 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kqa h THR 304 N 3.26 1.15 0.00 0.52 1.03 -1.92 -2.37 112.91 114.58 3kqa h THR 304 Ca -0.47 -0.75 0.00 0.00 -0.01 0.00 0.00 66.41 65.18 3kqa h THR 304 Cb 1.23 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 3kqa h THR 304 CO 0.77 0.21 0.00 0.47 -0.01 0.00 0.00 175.52 176.96 3kqa n ASP 305 N -4.26 0.00 -0.34 0.00 8.00 -1.26 -1.54 116.55 117.15 3kqa n ASP 305 Ca -0.02 0.23 0.04 0.00 0.71 0.00 0.00 54.79 55.75 3kqa n ASP 305 Cb 0.28 -0.32 0.04 0.00 -0.02 0.00 0.00 41.12 41.10 3kqa n ASP 305 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kqa n MET 306 N -1.32 0.24 -0.13 -1.24 2.81 -0.89 -4.74 117.12 111.85 3kqa n MET 306 Ca 0.03 -1.02 -0.09 0.00 -1.81 0.00 0.00 57.70 54.81 3kqa n MET 306 Cb 0.06 -1.16 -0.01 0.00 -0.71 0.00 0.00 33.22 31.40 3kqa n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3kqa h GLN 307 N 1.62 0.56 -0.71 0.03 -0.00 -1.33 -2.14 115.11 113.14 3kqa h GLN 307 Ca 0.00 -0.10 -0.05 0.00 -0.00 0.00 0.00 58.65 58.50 3kqa h GLN 307 Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.71 3kqa h GLN 307 CO 0.00 0.54 0.23 0.00 0.00 0.00 0.00 178.83 179.60 3kqa h ALA 308 N 1.00 1.07 -0.12 3.38 0.00 -1.85 -1.14 119.26 121.60 3kqa h ALA 308 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3kqa h ALA 308 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kqa h ALA 308 CO -0.01 0.64 -0.32 1.96 0.00 0.00 0.00 179.25 181.51 3kqa h GLN 309 N 1.05 0.22 0.00 0.00 7.50 -1.80 -1.76 115.11 120.32 3kqa h GLN 309 Ca 0.23 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.30 3kqa h GLN 309 Cb 0.28 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.79 3kqa h GLN 309 CO -0.01 0.53 -0.09 0.74 -1.50 0.00 0.00 178.83 178.50 3kqa h PHE 310 N 0.20 0.00 -0.21 2.96 -1.00 -1.00 -2.29 116.94 115.59 3kqa h PHE 310 Ca 0.03 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.66 3kqa h PHE 310 Cb 0.67 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.23 3kqa h PHE 310 CO 0.01 0.00 -0.45 1.15 -1.61 0.00 0.00 178.31 177.41 3kqa h THR 311 N 0.00 1.32 -0.78 -1.55 2.02 -0.66 -2.08 112.91 111.17 3kqa h THR 311 Ca 0.00 -1.68 -0.00 0.00 0.77 0.00 0.00 66.41 65.50 3kqa h THR 311 Cb 0.97 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 3kqa h THR 311 CO 0.00 0.53 0.48 0.25 0.37 0.00 0.00 175.52 177.14 3kqa h LEU 312 N 0.37 0.93 -0.52 2.58 5.85 -1.28 -1.99 115.31 121.26 3kqa h LEU 312 Ca 0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kqa h LEU 312 Cb 1.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3kqa h LEU 312 CO 0.10 0.72 0.30 0.25 -0.34 0.00 0.00 178.44 179.47 3kqa h LEU 313 N 1.07 0.64 -0.98 2.25 6.46 -1.11 -2.67 115.31 120.96 3kqa h LEU 313 Ca 0.28 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.89 3kqa h LEU 313 Cb -0.05 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 3kqa h LEU 313 CO -0.05 0.52 -0.10 0.78 -0.62 0.00 0.00 178.44 178.97 3kqa h ASN 314 N 0.70 0.61 0.35 1.25 2.35 -1.20 -1.73 115.58 117.89 3kqa h ASN 314 Ca 0.19 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3kqa h ASN 314 Cb 0.01 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3kqa h ASN 314 CO -0.03 0.74 0.00 0.18 -1.65 0.00 0.00 177.43 176.67 3kqa n LEU 315 N -4.19 0.00 -0.06 1.61 4.77 -0.76 -1.77 117.00 116.59 3kqa n LEU 315 Ca 0.01 0.39 0.01 0.00 -0.03 0.00 0.00 56.01 56.39 3kqa n LEU 315 Cb 0.33 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3kqa n LEU 315 CO 0.41 -0.22 0.39 1.33 -1.33 0.00 0.00 177.39 177.98 3kqa n VAL 316 N -1.39 0.64 -2.57 4.08 0.24 -0.99 -2.09 118.33 116.26 3kqa n VAL 316 Ca 0.05 -0.69 -0.15 0.00 -2.04 0.00 0.00 64.34 61.51 3kqa n VAL 316 Cb 0.13 0.59 0.08 0.00 -1.47 0.00 0.00 33.84 33.17 3kqa n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kqa n ALA 317 N -0.38 0.23 -2.63 2.33 0.00 -0.69 -4.62 120.51 114.75 3kqa n ALA 317 Ca 0.02 -1.33 -0.38 0.00 0.00 0.00 0.00 53.44 51.75 3kqa n ALA 317 Cb 0.43 0.24 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 3kqa n ALA 317 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3kqa s GLU 318 N -4.15 4.04 0.00 0.00 2.02 -0.43 -4.09 118.70 116.09 3kqa s GLU 318 Ca 0.44 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.27 3kqa s GLU 318 Cb -0.03 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.61 3kqa s GLU 318 CO 0.29 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.91 3kqa n GLY 319 N 4.51 -1.41 3.05 -1.39 0.00 -1.26 -1.18 105.19 107.51 3kqa n GLY 319 Ca -0.13 -2.07 -0.20 0.00 0.00 0.00 0.00 46.02 43.62 3kqa n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 320 N 0.00 0.84 0.04 2.61 2.01 -1.26 -1.91 115.64 117.96 3kqa s THR 320 Ca 0.00 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 3kqa s THR 320 Cb 0.00 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 3kqa s THR 320 CO 0.00 0.20 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.27 3kqa s GLY 321 N -0.34 0.36 -0.27 4.40 0.00 -0.75 -4.60 107.32 106.13 3kqa s GLY 321 Ca 0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 3kqa s GLY 321 CO -0.00 -0.97 -0.05 0.14 0.00 0.00 0.00 173.10 172.22 3kqa s VAL 322 N -2.57 2.78 -0.22 1.40 1.01 -1.22 -0.98 120.40 120.60 3kqa s VAL 322 Ca -0.05 -1.28 -0.19 0.00 0.00 0.00 0.00 61.98 60.46 3kqa s VAL 322 Cb -0.02 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3kqa s VAL 322 CO -0.05 0.04 0.57 -0.63 0.00 0.00 0.00 175.10 175.04 3kqa s ILE 323 N 1.26 5.05 -0.22 2.22 -1.09 -0.13 -1.35 121.20 126.93 3kqa s ILE 323 Ca -0.04 1.04 0.02 0.00 -2.23 0.00 0.00 60.65 59.45 3kqa s ILE 323 Cb -0.18 -3.89 0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3kqa s ILE 323 CO -0.03 0.11 -0.15 -0.89 -1.23 0.00 0.00 174.94 172.74 3kqa s THR 324 N 2.04 2.08 -0.15 2.92 2.01 0.28 0.23 115.64 125.07 3kqa s THR 324 Ca 0.25 -1.28 -0.20 0.00 0.31 0.00 0.00 61.69 60.76 3kqa s THR 324 Cb -0.16 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 3kqa s THR 324 CO 0.09 0.24 0.59 -1.61 -0.69 0.00 0.00 174.62 173.24 3kqa s GLU 325 N 1.21 4.29 0.00 4.92 0.41 -0.12 -0.28 118.70 129.13 3kqa s GLU 325 Ca -0.02 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 55.13 3kqa s GLU 325 Cb -0.17 -3.51 0.00 0.00 -1.78 0.00 0.00 34.13 28.68 3kqa s GLU 325 CO -0.09 -0.05 0.89 0.25 -0.49 0.00 0.00 175.26 175.77 3kqa n THR 326 N 4.19 0.78 -0.05 3.63 -2.24 -1.26 -4.65 114.28 114.69 3kqa n THR 326 Ca -0.03 -0.78 -0.07 0.00 -2.27 0.00 0.00 64.05 60.90 3kqa n THR 326 Cb 0.51 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 3kqa n THR 326 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3kqa n ILE 327 N -0.39 0.56 -3.47 2.28 2.08 -1.26 -4.93 119.36 114.23 3kqa n ILE 327 Ca 0.00 -0.22 -0.24 0.00 0.56 0.00 0.00 62.75 62.85 3kqa n ILE 327 Cb 0.30 -0.85 -0.12 0.00 -0.75 0.00 0.00 39.64 38.22 3kqa n ILE 327 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3kqa s PHE 328 N -2.20 0.04 -0.76 1.39 0.40 -1.26 -5.09 117.98 110.50 3kqa s PHE 328 Ca -0.13 -0.68 -0.24 0.00 -0.60 0.00 0.00 56.93 55.28 3kqa s PHE 328 Cb 0.03 -0.72 0.06 0.00 0.51 0.00 0.00 43.02 42.91 3kqa s PHE 328 CO 0.23 -0.87 1.15 -1.21 0.70 0.00 0.00 175.22 175.22 3kqa s GLU 329 N 2.07 3.24 0.00 0.44 2.02 -1.26 -3.14 118.70 122.07 3kqa s GLU 329 Ca 0.10 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3kqa s GLU 329 Cb -0.16 -4.41 0.00 0.00 0.10 0.00 0.00 34.13 29.67 3kqa s GLU 329 CO -0.31 -1.97 0.00 0.27 0.02 0.00 0.00 175.26 173.27 3kqa n ASN 330 N 8.32 0.00 -3.16 -0.19 0.23 -1.26 -5.04 115.26 114.16 3kqa n ASN 330 Ca 0.05 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.75 3kqa n ASN 330 Cb 0.48 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.13 3kqa n ASN 330 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3kqa n ARG 331 N 0.00 3.62 -0.84 -3.83 0.63 -1.19 -4.30 116.66 110.76 3kqa n ARG 331 Ca 0.00 -2.28 0.04 0.00 -0.92 0.00 0.00 57.85 54.69 3kqa n ARG 331 Cb 0.00 -2.66 0.06 0.00 0.45 0.00 0.00 32.46 30.31 3kqa n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kqa n PHE 332 N 3.06 0.00 0.28 -0.14 0.99 -1.26 -4.84 117.46 115.54 3kqa n PHE 332 Ca 0.71 -0.55 0.15 0.00 -0.00 0.00 0.00 57.45 57.76 3kqa n PHE 332 Cb 0.32 -0.13 0.90 0.00 -1.00 0.00 0.00 39.48 39.57 3kqa n PHE 332 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 3kqa h MET 333 N 0.53 0.00 0.00 -1.08 2.86 -2.02 -1.88 114.93 113.34 3kqa h MET 333 Ca -0.09 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 3kqa h MET 333 Cb 1.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.12 3kqa h MET 333 CO 0.04 0.00 -0.49 1.12 1.06 0.00 0.00 176.91 178.64 3kqa h HIS 334 N 0.00 0.00 -0.38 -0.22 2.07 -1.92 -3.32 115.15 111.37 3kqa h HIS 334 Ca 0.02 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.61 3kqa h HIS 334 Cb 0.09 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.00 3kqa h HIS 334 CO 0.00 0.49 -0.03 0.28 -3.07 0.00 0.00 177.93 175.59 3kqa h VAL 335 N 0.00 0.68 -0.42 6.12 2.07 -1.73 0.13 116.25 123.10 3kqa h VAL 335 Ca -0.00 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3kqa h VAL 335 Cb 0.98 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3kqa h VAL 335 CO 0.06 0.01 0.07 -0.65 0.02 0.00 0.00 177.57 177.09 3kqa h PRO 336 N 0.07 0.64 -0.26 1.57 0.11 -1.74 0.84 132.00 133.23 3kqa h PRO 336 Ca 0.19 -0.13 -0.13 0.00 0.11 0.00 0.00 66.00 66.04 3kqa h PRO 336 Cb 0.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3kqa h PRO 336 CO -0.34 0.61 -0.35 0.93 -0.21 0.00 0.00 178.00 178.63 3kqa h GLU 337 N 0.62 0.71 -0.39 1.05 4.39 -1.49 -1.78 114.58 117.69 3kqa h GLU 337 Ca 0.14 -0.41 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 3kqa h GLU 337 Cb 0.28 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3kqa h GLU 337 CO 0.00 1.03 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.75 3kqa h LEU 338 N 0.44 0.62 -1.12 1.33 3.38 -0.44 -1.75 115.31 117.76 3kqa h LEU 338 Ca 0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3kqa h LEU 338 Cb 0.94 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3kqa h LEU 338 CO 0.08 0.73 -0.07 0.40 0.09 0.00 0.00 178.44 179.67 3kqa h ILE 339 N 0.60 1.22 0.00 1.22 2.04 -0.66 0.84 117.51 122.77 3kqa h ILE 339 Ca 0.12 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3kqa h ILE 339 Cb 0.46 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3kqa h ILE 339 CO 0.02 0.31 0.00 0.03 0.00 0.00 0.00 178.15 178.52 3kqa h ARG 340 N 0.50 0.00 -0.04 2.37 3.08 -0.46 -1.33 114.38 118.51 3kqa h ARG 340 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3kqa h ARG 340 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3kqa h ARG 340 CO 0.02 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.59 3kqa n MET 341 N -2.45 1.66 0.00 0.04 2.81 0.25 -4.90 117.12 114.54 3kqa n MET 341 Ca 0.01 -0.97 0.00 0.00 -1.81 0.00 0.00 57.70 54.94 3kqa n MET 341 Cb 0.23 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3kqa n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kqa n GLY 342 N 1.17 1.19 3.92 3.03 0.00 -0.50 0.10 105.19 114.09 3kqa n GLY 342 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3kqa n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 343 N -2.00 3.24 -0.27 4.61 0.00 -0.95 -4.93 121.76 121.45 3kqa s ALA 343 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3kqa s ALA 343 Cb 0.00 -2.63 0.08 0.00 0.00 0.00 0.00 23.12 20.57 3kqa s ALA 343 CO 0.00 -0.96 0.03 -1.01 0.00 0.00 0.00 175.76 173.82 3kqa s HIS 344 N -3.08 2.16 0.07 0.00 0.09 -1.26 -4.60 115.29 108.68 3kqa s HIS 344 Ca 0.56 -1.82 -0.08 0.00 -0.00 0.00 0.00 55.06 53.72 3kqa s HIS 344 Cb -0.11 -1.76 -0.00 0.00 -0.00 0.00 0.00 32.58 30.71 3kqa s HIS 344 CO 0.45 -0.82 0.18 0.00 -0.00 0.00 0.00 174.74 174.55 3kqa s ALA 345 N 1.46 -0.22 -0.04 -1.40 0.00 -1.26 -1.01 121.76 119.30 3kqa s ALA 345 Ca 0.03 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3kqa s ALA 345 Cb -0.18 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3kqa s ALA 345 CO -0.14 -0.45 -0.03 -1.21 0.00 0.00 0.00 175.76 173.94 3kqa s GLU 346 N -3.44 0.60 -0.10 0.00 8.01 -0.42 -4.95 118.70 118.41 3kqa s GLU 346 Ca 0.02 -0.03 -0.10 0.00 0.01 0.00 0.00 54.97 54.86 3kqa s GLU 346 Cb 0.03 -0.68 -0.05 0.00 -4.31 0.00 0.00 34.13 29.13 3kqa s GLU 346 CO -0.09 -0.10 0.22 0.42 0.01 0.00 0.00 175.26 175.73 3kqa s ILE 347 N 0.92 5.36 -0.26 -1.63 1.01 -1.26 0.32 121.20 125.66 3kqa s ILE 347 Ca -0.11 0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 3kqa s ILE 347 Cb -0.14 -3.51 0.15 0.00 0.01 0.00 0.00 42.46 38.97 3kqa s ILE 347 CO -0.01 0.57 0.42 -1.61 0.00 0.00 0.00 174.94 174.31 3kqa s GLU 348 N -0.74 0.39 4.92 2.79 2.02 -0.05 -4.99 118.70 123.05 3kqa s GLU 348 Ca 0.17 0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.76 3kqa s GLU 348 Cb -0.13 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.83 3kqa s GLU 348 CO 0.06 -0.66 0.00 0.45 0.02 0.00 0.00 175.26 175.12 3kqa n SER 349 N 5.38 0.00 -1.89 -0.19 2.88 -1.26 -2.42 113.62 116.12 3kqa n SER 349 Ca -0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.37 3kqa n SER 349 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3kqa n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3kqa n ASN 350 N -0.42 6.14 -3.75 -3.46 6.94 -1.26 -4.87 115.26 114.59 3kqa n ASN 350 Ca 0.00 -2.90 -0.12 0.00 -0.02 0.00 0.00 54.58 51.54 3kqa n ASN 350 Cb 0.00 -1.12 -0.08 0.00 -2.36 0.00 0.00 39.78 36.22 3kqa n ASN 350 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3kqa s THR 351 N -1.55 0.07 -0.07 5.53 -4.23 -1.02 -0.95 115.64 113.42 3kqa s THR 351 Ca 0.30 -0.57 0.04 0.00 -1.18 0.00 0.00 61.69 60.29 3kqa s THR 351 Cb 0.21 -0.81 -0.00 0.00 1.34 0.00 0.00 72.50 73.24 3kqa s THR 351 CO -0.03 -0.31 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.84 3kqa s VAL 352 N -2.01 1.74 -0.28 2.29 1.01 0.14 -0.87 120.40 122.42 3kqa s VAL 352 Ca -0.09 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 3kqa s VAL 352 Cb -0.03 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3kqa s VAL 352 CO 0.00 0.49 0.19 -0.63 0.00 0.00 0.00 175.10 175.16 3kqa s ILE 353 N 0.24 5.31 -0.18 2.22 -1.09 0.15 -0.96 121.20 126.89 3kqa s ILE 353 Ca -0.12 0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 58.44 3kqa s ILE 353 Cb -0.15 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 3kqa s ILE 353 CO 0.05 0.25 -0.06 0.00 -1.23 0.00 0.00 174.94 173.95 3kqa s HIS 355 N 0.83 3.42 0.46 0.00 3.76 -0.18 -1.81 115.29 121.77 3kqa s HIS 355 Ca -0.02 -1.98 -0.25 0.00 -0.15 0.00 0.00 55.06 52.66 3kqa s HIS 355 Cb -0.15 -2.77 -0.08 0.00 1.11 0.00 0.00 32.58 30.69 3kqa s HIS 355 CO 0.01 -0.88 1.41 0.20 -0.85 0.00 0.00 174.74 174.64 3kqa s GLY 356 N 1.69 2.92 0.36 -2.22 0.00 -0.80 -4.09 107.32 105.17 3kqa s GLY 356 Ca 0.03 1.44 0.08 0.00 0.00 0.00 0.00 44.72 46.27 3kqa s GLY 356 CO -0.01 2.04 0.06 -1.34 0.00 0.00 0.00 173.10 173.84 3kqa s VAL 357 N -1.22 2.55 0.03 1.40 -7.23 -0.89 -4.77 120.40 110.27 3kqa s VAL 357 Ca 0.62 -1.89 -0.21 0.00 -1.81 0.00 0.00 61.98 58.69 3kqa s VAL 357 Cb -0.43 -2.87 -0.16 0.00 0.56 0.00 0.00 36.38 33.49 3kqa s VAL 357 CO 0.55 -0.14 1.31 -0.33 -0.31 0.00 0.00 175.10 176.18 3kqa h GLU 358 N 1.71 0.33 -3.09 4.82 5.08 -1.89 -3.40 114.58 118.13 3kqa h GLU 358 Ca -0.43 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 57.60 3kqa h GLU 358 Cb 1.25 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.27 3kqa h GLU 358 CO 0.68 0.75 -0.38 0.21 -1.00 0.00 0.00 179.01 179.28 3kqa s LYS 359 N -4.19 0.41 0.49 2.33 2.20 -1.26 -5.05 119.74 114.67 3kqa s LYS 359 Ca -0.14 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 3kqa s LYS 359 Cb 0.05 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 3kqa s LYS 359 CO 0.75 -0.07 0.72 -0.51 -0.36 0.00 0.00 175.35 175.88 3kqa s LEU 360 N -0.27 3.49 0.06 5.43 1.43 -1.26 -4.95 118.68 122.61 3kqa s LEU 360 Ca -0.04 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 3kqa s LEU 360 Cb -0.03 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 3kqa s LEU 360 CO 0.01 -0.88 -0.23 -0.44 0.23 0.00 0.00 176.35 175.04 3kqa s SER 361 N -4.30 2.79 0.73 2.29 0.01 0.11 0.04 113.70 115.38 3kqa s SER 361 Ca 0.52 -0.58 -0.15 0.00 1.31 0.00 0.00 55.95 57.05 3kqa s SER 361 Cb -0.10 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 65.94 3kqa s SER 361 CO 0.38 0.19 1.24 -0.83 0.41 0.00 0.00 173.24 174.63 3kqa s GLY 362 N -1.32 2.46 0.03 3.44 0.00 0.65 -4.58 107.32 108.00 3kqa s GLY 362 Ca 0.09 0.99 -0.29 0.00 0.00 0.00 0.00 44.72 45.51 3kqa s GLY 362 CO 0.02 1.41 1.12 0.00 0.00 0.00 0.00 173.10 175.65 3kqa s ALA 363 N -1.83 -1.96 -0.17 3.20 0.00 -1.16 -4.88 121.76 114.95 3kqa s ALA 363 Ca 0.77 0.62 -0.26 0.00 0.00 0.00 0.00 51.96 53.09 3kqa s ALA 363 Cb -0.32 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3kqa s ALA 363 CO 0.45 -0.96 0.87 -0.65 0.00 0.00 0.00 175.76 175.47 3kqa s GLN 364 N -2.81 4.30 0.25 0.00 -0.21 -1.26 -2.11 119.66 117.83 3kqa s GLN 364 Ca 0.12 1.08 0.02 0.00 0.02 0.00 0.00 55.36 56.60 3kqa s GLN 364 Cb 0.01 -3.58 -0.05 0.00 1.00 0.00 0.00 33.01 30.39 3kqa s GLN 364 CO -0.02 -0.36 0.07 0.14 -2.12 0.00 0.00 175.29 173.01 3kqa s VAL 365 N 2.24 0.66 -0.18 1.09 -7.23 0.01 -4.95 120.40 112.04 3kqa s VAL 365 Ca 0.40 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 3kqa s VAL 365 Cb -0.17 -2.56 0.11 0.00 0.56 0.00 0.00 36.38 34.32 3kqa s VAL 365 CO 0.12 -0.08 0.94 -0.32 -0.31 0.00 0.00 175.10 175.45 3kqa s MET 366 N -3.99 0.65 -0.06 4.82 0.00 -1.26 -1.38 119.30 118.08 3kqa s MET 366 Ca 0.35 0.33 -0.14 0.00 0.00 0.00 0.00 55.69 56.24 3kqa s MET 366 Cb 0.08 0.31 0.03 0.00 0.00 0.00 0.00 34.83 35.24 3kqa s MET 366 CO 0.12 -0.17 0.32 0.00 0.00 0.00 0.00 175.02 175.30 3kqa s ALA 367 N -0.68 -0.81 -1.55 4.11 0.00 -1.26 -4.95 121.76 116.63 3kqa s ALA 367 Ca -0.02 0.57 0.23 0.00 0.00 0.00 0.00 51.96 52.74 3kqa s ALA 367 Cb -0.02 -0.17 0.14 0.00 0.00 0.00 0.00 23.12 23.08 3kqa s ALA 367 CO 0.01 -0.22 1.17 0.25 0.00 0.00 0.00 175.76 176.96 3kqa n THR 368 N 1.89 0.00 -3.61 0.00 -2.24 -1.26 -4.64 114.28 104.42 3kqa n THR 368 Ca -0.18 -0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.11 3kqa n THR 368 Cb 0.57 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.61 3kqa n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kqa s ASP 369 N -2.70 6.43 0.21 3.42 2.15 -1.26 -4.98 116.67 119.94 3kqa s ASP 369 Ca 0.16 0.50 -0.17 0.00 0.43 0.00 0.00 52.55 53.46 3kqa s ASP 369 Cb 0.18 -2.16 0.21 0.00 -0.30 0.00 0.00 42.92 40.85 3kqa s ASP 369 CO 0.67 0.18 1.58 0.25 -0.17 0.00 0.00 175.17 177.67 3kqa h LEU 370 N 6.26 -1.13 -0.51 -1.34 5.85 -1.89 0.99 115.31 123.53 3kqa h LEU 370 Ca -0.44 0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.37 3kqa h LEU 370 Cb 1.18 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 3kqa h LEU 370 CO 0.72 -0.29 -0.61 0.03 -0.34 0.00 0.00 178.44 177.95 3kqa h ARG 371 N -0.08 0.45 -0.29 1.25 2.47 -1.95 -1.66 114.38 114.58 3kqa h ARG 371 Ca 0.30 -0.31 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 3kqa h ARG 371 Cb 0.57 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.93 3kqa h ARG 371 CO -0.80 0.92 -0.21 0.00 0.56 0.00 0.00 179.97 180.44 3kqa h ALA 372 N 1.00 1.09 -0.39 0.04 0.00 -1.76 -1.12 119.26 118.13 3kqa h ALA 372 Ca -0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3kqa h ALA 372 Cb 1.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3kqa h ALA 372 CO 0.11 0.56 0.02 1.03 0.00 0.00 0.00 179.25 180.96 3kqa h SER 373 N 0.49 0.67 -0.58 0.00 0.87 -0.52 -2.15 113.55 112.32 3kqa h SER 373 Ca 0.08 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 3kqa h SER 373 Cb 0.63 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 3kqa h SER 373 CO 0.04 0.80 0.25 0.00 -0.53 0.00 0.00 176.83 177.39 3kqa h ALA 374 N 0.89 1.29 -0.66 6.23 0.00 -1.08 -2.17 119.26 123.76 3kqa h ALA 374 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3kqa h ALA 374 Cb 0.45 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3kqa h ALA 374 CO 0.02 0.53 0.19 0.77 0.00 0.00 0.00 179.25 180.76 3kqa h SER 375 N 0.88 0.95 0.27 0.00 0.02 -0.80 -0.65 113.55 114.22 3kqa h SER 375 Ca 0.21 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 3kqa h SER 375 Cb 0.16 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3kqa h SER 375 CO -0.02 0.90 -0.33 -0.07 -1.14 0.00 0.00 176.83 176.17 3kqa h LEU 376 N 0.98 0.09 -0.30 5.07 3.38 -0.90 0.26 115.31 123.90 3kqa h LEU 376 Ca 0.21 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3kqa h LEU 376 Cb 0.30 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3kqa h LEU 376 CO -0.01 0.42 -0.15 0.58 0.09 0.00 0.00 178.44 179.38 3kqa h VAL 377 N 0.08 1.29 -0.69 1.22 2.07 -0.68 -0.49 116.25 119.05 3kqa h VAL 377 Ca 0.01 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 3kqa h VAL 377 Cb 0.62 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3kqa h VAL 377 CO 0.05 0.40 0.21 -0.07 0.02 0.00 0.00 177.57 178.17 3kqa h LEU 378 N 0.38 1.01 -1.23 2.57 3.38 -0.60 -1.85 115.31 118.98 3kqa h LEU 378 Ca 0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kqa h LEU 378 Cb 0.67 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3kqa h LEU 378 CO 0.04 0.95 0.42 0.00 0.09 0.00 0.00 178.44 179.95 3kqa h ALA 379 N 1.09 1.42 -0.04 1.53 0.00 -0.34 -1.09 119.26 121.84 3kqa h ALA 379 Ca 0.22 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3kqa h ALA 379 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kqa h ALA 379 CO -0.01 0.50 -0.29 0.78 0.00 0.00 0.00 179.25 180.24 3kqa h GLY 380 N 0.99 0.07 1.40 0.00 0.00 -0.29 -0.58 103.07 104.66 3kqa h GLY 380 Ca 0.25 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 3kqa h GLY 380 CO -0.05 0.05 -0.16 0.00 0.00 0.00 0.00 176.54 176.38 3kqa n ILE 382 N -4.15 0.06 -2.28 0.00 -5.35 -1.09 -0.67 119.36 105.88 3kqa n ILE 382 Ca 0.01 -0.10 -0.33 0.00 -0.27 0.00 0.00 62.75 62.06 3kqa n ILE 382 Cb 0.38 0.49 -0.01 0.00 -1.74 0.00 0.00 39.64 38.76 3kqa n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqa s ALA 383 N -3.08 2.86 -0.01 -1.28 0.00 -0.25 -4.43 121.76 115.57 3kqa s ALA 383 Ca 0.07 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 3kqa s ALA 383 Cb 0.16 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 3kqa s ALA 383 CO 0.80 -0.51 1.28 -2.00 0.00 0.00 0.00 175.76 175.33 3kqa s GLU 384 N -3.83 4.34 1.35 0.00 2.56 0.11 -2.50 118.70 120.72 3kqa s GLU 384 Ca 0.63 1.81 0.00 0.00 0.00 0.00 0.00 54.97 57.41 3kqa s GLU 384 Cb -0.14 -3.52 0.00 0.00 2.00 0.00 0.00 34.13 32.46 3kqa s GLU 384 CO 0.30 -0.47 0.00 0.41 -0.56 0.00 0.00 175.26 174.95 3kqa n GLY 385 N 3.45 -1.19 3.73 -1.50 0.00 -0.95 -0.26 105.19 108.47 3kqa n GLY 385 Ca 0.11 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 3kqa n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 386 N 0.00 5.29 0.04 2.61 2.01 -1.26 -0.63 115.64 123.69 3kqa s THR 386 Ca 0.00 0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.23 3kqa s THR 386 Cb 0.00 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 3kqa s THR 386 CO 0.00 0.47 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.26 3kqa s THR 387 N 0.19 1.98 -0.19 -0.82 2.01 0.50 -3.01 115.64 116.31 3kqa s THR 387 Ca 0.08 -1.29 0.01 0.00 0.31 0.00 0.00 61.69 60.79 3kqa s THR 387 Cb -0.11 -1.70 0.04 0.00 0.01 0.00 0.00 72.50 70.74 3kqa s THR 387 CO -0.01 0.35 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 3kqa s VAL 388 N -0.77 1.53 -0.35 3.82 1.01 -0.90 0.31 120.40 125.06 3kqa s VAL 388 Ca 0.10 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 3kqa s VAL 388 Cb -0.10 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3kqa s VAL 388 CO 0.02 0.15 0.28 -0.69 0.00 0.00 0.00 175.10 174.86 3kqa s VAL 389 N 1.44 5.25 0.60 2.92 1.01 0.71 -0.81 120.40 131.53 3kqa s VAL 389 Ca -0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3kqa s VAL 389 Cb -0.16 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 3kqa s VAL 389 CO -0.08 -0.07 0.94 -0.62 0.00 0.00 0.00 175.10 175.28 3kqa s ASP 390 N 1.72 5.72 -1.31 3.32 -1.08 -0.48 -0.69 116.67 123.87 3kqa s ASP 390 Ca 0.08 0.91 -0.07 0.00 -0.52 0.00 0.00 52.55 52.95 3kqa s ASP 390 Cb -0.17 -1.91 -0.00 0.00 -1.46 0.00 0.00 42.92 39.37 3kqa s ASP 390 CO 0.11 -1.04 0.57 0.54 0.52 0.00 0.00 175.17 175.87 3kqa n ARG 391 N -2.65 -2.73 0.00 4.34 1.74 -1.15 -4.50 116.66 111.71 3kqa n ARG 391 Ca 0.05 0.43 0.13 0.00 -0.77 0.00 0.00 57.85 57.69 3kqa n ARG 391 Cb 0.57 -4.41 0.76 0.00 -1.02 0.00 0.00 32.46 28.36 3kqa n ARG 391 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3kqa n ILE 392 N -4.34 0.00 0.28 0.55 -5.35 -1.13 -3.40 119.36 105.97 3kqa n ILE 392 Ca -0.24 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.38 3kqa n ILE 392 Cb 0.65 -0.48 0.82 0.00 -1.74 0.00 0.00 39.64 38.89 3kqa n ILE 392 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 3kqa h TYR 393 N 0.00 0.00 -0.29 4.28 -0.00 -1.89 0.43 116.97 119.49 3kqa h TYR 393 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 3kqa h TYR 393 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 3kqa h TYR 393 CO 0.00 0.06 0.08 0.45 -0.00 0.00 0.00 178.16 178.76 3kqa h HIS 394 N 0.00 0.48 0.10 0.10 3.86 -1.94 -1.91 115.15 115.84 3kqa h HIS 394 Ca -0.00 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3kqa h HIS 394 Cb 0.18 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3kqa h HIS 394 CO 0.00 0.51 -0.05 0.82 0.86 0.00 0.00 177.93 180.07 3kqa h ILE 395 N 0.31 0.95 -1.02 2.45 2.04 -1.25 -2.90 117.51 118.08 3kqa h ILE 395 Ca 0.09 -0.18 0.27 0.00 1.00 0.00 0.00 64.86 66.04 3kqa h ILE 395 Cb 0.26 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 3kqa h ILE 395 CO -0.00 0.05 0.69 0.44 0.00 0.00 0.00 178.15 179.32 3kqa h ASP 396 N -0.22 0.28 1.11 1.72 3.32 -0.77 0.22 116.42 122.08 3kqa h ASP 396 Ca -0.01 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 3kqa h ASP 396 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3kqa h ASP 396 CO 0.02 0.07 -0.36 0.03 -1.72 0.00 0.00 179.24 177.29 3kqa h ARG 397 N 0.25 0.00 0.00 3.56 3.08 -1.14 -3.36 114.38 116.77 3kqa h ARG 397 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.59 3kqa h ARG 397 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.69 3kqa h ARG 397 CO -0.17 0.36 -0.69 0.41 -1.07 0.00 0.00 179.97 178.80 3kqa n GLY 398 N 0.55 0.14 3.28 0.04 0.00 -0.11 -4.66 105.19 104.43 3kqa n GLY 398 Ca 0.01 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3kqa n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqa s TYR 399 N -1.92 2.60 -0.32 1.61 1.51 -0.18 -4.90 117.35 115.75 3kqa s TYR 399 Ca 0.00 -0.84 -0.26 0.00 -1.01 0.00 0.00 57.07 54.97 3kqa s TYR 399 Cb 0.04 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 3kqa s TYR 399 CO 0.25 -0.30 0.91 -2.00 -1.11 0.00 0.00 175.55 173.30 3kqa s GLU 400 N 0.18 3.99 -1.11 -0.62 2.12 -1.26 -4.30 118.70 117.69 3kqa s GLU 400 Ca -0.12 0.77 -0.21 0.00 0.36 0.00 0.00 54.97 55.77 3kqa s GLU 400 Cb -0.16 -3.74 0.03 0.00 0.26 0.00 0.00 34.13 30.52 3kqa s GLU 400 CO 0.07 -0.79 0.40 2.89 -0.54 0.00 0.00 175.26 177.29 3kqa n ARG 401 N 6.51 -0.51 0.07 4.30 1.85 -1.26 -4.83 116.66 122.79 3kqa n ARG 401 Ca 0.07 -0.01 0.05 0.00 -1.00 0.00 0.00 57.85 56.96 3kqa n ARG 401 Cb 0.48 -2.24 0.47 0.00 -1.05 0.00 0.00 32.46 30.12 3kqa n ARG 401 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 3kqa h ILE 402 N -1.65 1.09 0.00 8.89 2.10 -1.96 -2.15 117.51 123.83 3kqa h ILE 402 Ca -0.59 -0.20 -0.00 0.00 1.08 0.00 0.00 64.86 65.15 3kqa h ILE 402 Cb 1.19 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 3kqa h ILE 402 CO 0.49 0.09 -0.00 -0.08 -1.08 0.00 0.00 178.15 177.57 3kqa h GLU 403 N 0.39 -0.01 -0.73 2.19 4.81 -1.95 0.70 114.58 119.98 3kqa h GLU 403 Ca 0.10 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3kqa h GLU 403 Cb -0.01 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3kqa h GLU 403 CO -0.02 -0.00 0.31 -0.44 -0.73 0.00 0.00 179.01 178.12 3kqa h ASP 404 N -0.01 1.00 -0.52 1.04 3.32 -1.82 -0.97 116.42 118.46 3kqa h ASP 404 Ca -0.00 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 3kqa h ASP 404 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3kqa h ASP 404 CO 0.00 0.88 -0.11 0.11 -1.72 0.00 0.00 179.24 178.41 3kqa h LYS 405 N 1.04 1.01 -0.38 3.56 1.57 -1.14 -1.60 116.57 120.63 3kqa h LYS 405 Ca 0.25 -0.37 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 3kqa h LYS 405 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3kqa h LYS 405 CO -0.02 1.05 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.53 3kqa h LEU 406 N 0.90 0.88 -1.01 2.94 3.38 -0.71 -2.94 115.31 118.75 3kqa h LEU 406 Ca 0.14 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3kqa h LEU 406 Cb 0.67 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3kqa h LEU 406 CO 0.05 1.12 0.36 -0.09 0.09 0.00 0.00 178.44 179.97 3kqa h ARG 407 N 0.71 1.06 0.00 1.13 2.43 -0.98 -0.46 114.38 118.27 3kqa h ARG 407 Ca 0.08 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3kqa h ARG 407 Cb 0.87 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3kqa h ARG 407 CO 0.08 0.82 0.00 0.00 -1.51 0.00 0.00 179.97 179.35 3kqa n ALA 408 N -2.43 1.50 0.23 2.80 0.00 -0.62 -1.44 120.51 120.55 3kqa n ALA 408 Ca 0.07 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.66 3kqa n ALA 408 Cb 0.13 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.51 3kqa n ALA 408 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kqa n LEU 409 N -1.88 3.37 0.00 0.00 4.77 -0.29 -4.67 117.00 118.29 3kqa n LEU 409 Ca 0.02 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.45 3kqa n LEU 409 Cb 0.15 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3kqa n LEU 409 CO 0.14 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3kqa n GLY 410 N 1.38 0.52 3.77 -0.72 0.00 -0.52 -1.55 105.19 108.07 3kqa n GLY 410 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3kqa n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 411 N -2.00 3.21 -0.80 4.61 0.00 -0.53 -4.88 121.76 121.38 3kqa s ALA 411 Ca 0.00 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 3kqa s ALA 411 Cb 0.00 -3.49 0.21 0.00 0.00 0.00 0.00 23.12 19.84 3kqa s ALA 411 CO 0.00 -0.85 0.71 1.21 0.00 0.00 0.00 175.76 176.83 3kqa s ASN 412 N -0.79 6.45 0.04 0.00 3.84 -1.26 -4.45 114.94 118.77 3kqa s ASN 412 Ca 0.58 -2.77 0.03 0.00 0.21 0.00 0.00 52.86 50.91 3kqa s ASN 412 Cb -0.38 -2.13 -0.02 0.00 -0.55 0.00 0.00 41.25 38.17 3kqa s ASN 412 CO 0.48 -0.51 -0.09 -0.51 -2.79 0.00 0.00 177.10 173.68 3kqa s ILE 413 N 0.04 0.67 -0.09 -5.21 2.07 -1.26 -0.47 121.20 116.94 3kqa s ILE 413 Ca 0.18 -0.99 -0.14 0.00 -1.41 0.00 0.00 60.65 58.29 3kqa s ILE 413 Cb -0.12 -0.68 0.03 0.00 0.13 0.00 0.00 42.46 41.82 3kqa s ILE 413 CO -0.08 -0.25 0.36 -1.83 -1.91 0.00 0.00 174.94 171.23 3kqa s GLU 414 N -1.36 0.53 -0.00 3.50 -1.05 -0.53 -4.97 118.70 114.81 3kqa s GLU 414 Ca -0.06 0.27 -0.23 0.00 -0.15 0.00 0.00 54.97 54.80 3kqa s GLU 414 Cb -0.09 0.25 -0.05 0.00 -0.44 0.00 0.00 34.13 33.80 3kqa s GLU 414 CO 0.01 -0.10 0.69 0.50 0.95 0.00 0.00 175.26 177.30 3kqa s ARG 415 N -0.35 4.42 -0.22 -4.83 3.52 -1.26 -0.31 118.95 119.92 3kqa s ARG 415 Ca -0.05 0.90 -0.02 0.00 -0.13 0.00 0.00 55.73 56.43 3kqa s ARG 415 Cb -0.03 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.99 3kqa s ARG 415 CO 0.02 0.25 -0.09 0.08 -0.81 0.00 0.00 175.30 174.75 3kqa s VAL 416 N 0.13 2.82 0.72 7.11 1.01 0.14 -4.95 120.40 127.38 3kqa s VAL 416 Ca 0.36 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3kqa s VAL 416 Cb -0.19 -2.33 0.06 0.00 0.00 0.00 0.00 36.38 33.92 3kqa s VAL 416 CO 0.20 0.36 1.05 -0.54 0.00 0.00 0.00 175.10 176.17 3kqa s LYS 417 N 1.37 2.22 0.00 2.72 -0.14 -1.26 -0.79 119.74 123.85 3kqa s LYS 417 Ca 0.03 -0.12 0.00 0.00 -1.36 0.00 0.00 55.97 54.53 3kqa s LYS 417 Cb -0.15 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 3kqa s LYS 417 CO -0.06 -1.28 0.00 0.41 -0.76 0.00 0.00 175.35 173.66 3kqa n GLY 418 N -3.00 0.00 2.11 -3.33 0.00 -1.26 -4.86 105.19 94.85 3kqa n GLY 418 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kqa n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48