#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 6.32 0.25 6.12 1.11 -1.26 -4.69 116.67 124.52 3kqa s ASP 2 Ca 0.00 3.05 0.01 0.00 0.18 0.00 0.00 52.55 55.79 3kqa s ASP 2 Cb 0.00 -2.66 -0.05 0.00 1.07 0.00 0.00 42.92 41.28 3kqa s ASP 2 CO 0.00 -0.91 0.08 -1.59 1.18 0.00 0.00 175.17 173.93 3kqa s LYS 3 N -1.65 1.38 -0.15 8.23 -2.85 -0.80 -2.61 119.74 121.30 3kqa s LYS 3 Ca 0.56 -1.74 -0.00 0.00 -1.00 0.00 0.00 55.97 53.79 3kqa s LYS 3 Cb -0.47 -0.28 -0.01 0.00 -2.06 0.00 0.00 37.83 35.01 3kqa s LYS 3 CO 0.59 -0.27 -0.13 -0.06 0.10 0.00 0.00 175.35 175.58 3kqa s PHE 4 N -3.73 2.81 -0.32 1.78 2.99 -0.35 -1.07 117.98 120.09 3kqa s PHE 4 Ca 0.36 -0.85 -0.11 0.00 0.00 0.00 0.00 56.93 56.33 3kqa s PHE 4 Cb 0.08 -1.88 -0.02 0.00 0.00 0.00 0.00 43.02 41.20 3kqa s PHE 4 CO 0.13 -0.36 0.20 0.50 -0.00 0.00 0.00 175.22 175.69 3kqa s ARG 5 N 0.64 3.47 -0.03 0.44 3.52 0.13 -1.29 118.95 125.83 3kqa s ARG 5 Ca -0.07 -0.65 0.06 0.00 -0.13 0.00 0.00 55.73 54.93 3kqa s ARG 5 Cb -0.16 -3.69 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 3kqa s ARG 5 CO 0.03 -0.41 -0.19 0.08 -0.81 0.00 0.00 175.30 173.99 3kqa s VAL 6 N 1.68 2.63 -0.15 7.11 1.01 0.32 -0.65 120.40 132.35 3kqa s VAL 6 Ca 0.06 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3kqa s VAL 6 Cb -0.17 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3kqa s VAL 6 CO 0.09 0.58 -0.20 -1.10 0.00 0.00 0.00 175.10 174.47 3kqa s GLN 7 N -0.71 2.83 0.28 2.72 -0.21 -0.42 -0.23 119.66 123.92 3kqa s GLN 7 Ca 0.11 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.73 3kqa s GLN 7 Cb -0.10 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 3kqa s GLN 7 CO 0.00 -0.09 0.06 0.41 -2.12 0.00 0.00 175.29 173.55 3kqa n GLY 8 N 4.28 3.64 3.76 3.09 0.00 -0.55 -4.19 105.19 115.23 3kqa n GLY 8 Ca -0.20 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.29 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 -3.05 4.72 0.06 1.61 0.04 -0.82 -2.33 135.00 135.23 3kqa s PRO 9 Ca 0.08 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.50 3kqa s PRO 9 Cb 0.00 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 3kqa s PRO 9 CO 0.06 0.53 -0.12 0.95 0.04 0.00 0.00 177.00 178.46 3kqa s THR 10 N -1.11 0.91 -0.07 1.26 -4.23 0.97 -4.97 115.64 108.40 3kqa s THR 10 Ca 0.39 -1.18 -0.14 0.00 -1.18 0.00 0.00 61.69 59.58 3kqa s THR 10 Cb -0.25 -0.90 -0.05 0.00 1.34 0.00 0.00 72.50 72.65 3kqa s THR 10 CO 0.29 -0.25 0.37 -0.60 -0.54 0.00 0.00 174.62 173.89 3kqa s ARG 11 N -1.59 4.03 -0.36 3.99 3.52 -1.26 -4.42 118.95 122.86 3kqa s ARG 11 Ca -0.04 0.29 -0.11 0.00 -0.13 0.00 0.00 55.73 55.74 3kqa s ARG 11 Cb -0.10 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 30.00 3kqa s ARG 11 CO 0.01 0.50 0.20 -0.51 -0.81 0.00 0.00 175.30 174.70 3kqa s LEU 12 N -0.41 4.55 0.10 -0.88 1.43 -1.26 -4.66 118.68 117.56 3kqa s LEU 12 Ca 0.22 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 3kqa s LEU 12 Cb -0.15 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.06 3kqa s LEU 12 CO 0.10 -0.32 0.37 0.00 0.23 0.00 0.00 176.35 176.73 3kqa s GLN 13 N 1.60 1.01 0.00 1.70 -2.07 -0.03 -3.60 119.66 118.26 3kqa s GLN 13 Ca 0.03 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 3kqa s GLN 13 Cb -0.18 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 3kqa s GLN 13 CO 0.07 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 174.08 3kqa n GLY 14 N -0.06 0.33 3.27 2.60 0.00 -0.64 -4.42 105.19 106.26 3kqa n GLY 14 Ca -0.16 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 3kqa n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kqa s GLU 15 N -1.06 1.10 -0.09 1.61 2.02 -1.26 -2.11 118.70 118.90 3kqa s GLU 15 Ca 0.00 -1.45 -0.13 0.00 0.02 0.00 0.00 54.97 53.42 3kqa s GLU 15 Cb 0.00 -0.75 0.03 0.00 0.10 0.00 0.00 34.13 33.51 3kqa s GLU 15 CO 0.00 0.11 0.33 0.54 0.02 0.00 0.00 175.26 176.25 3kqa s VAL 16 N -3.11 0.02 -0.29 2.63 0.11 -0.69 -4.74 120.40 114.34 3kqa s VAL 16 Ca 0.17 -0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 58.99 3kqa s VAL 16 Cb 0.01 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 3kqa s VAL 16 CO 0.02 -0.08 0.11 -0.89 -3.33 0.00 0.00 175.10 170.93 3kqa s THR 17 N -0.28 4.39 0.10 5.04 2.01 -1.26 -0.28 115.64 125.36 3kqa s THR 17 Ca -0.04 -0.38 -0.31 0.00 0.31 0.00 0.00 61.69 61.27 3kqa s THR 17 Cb -0.03 -3.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.22 3kqa s THR 17 CO 0.02 0.17 1.55 -0.63 -0.69 0.00 0.00 174.62 175.04 3kqa s ILE 18 N 1.59 3.00 0.79 1.82 -1.09 -0.53 -4.94 121.20 121.85 3kqa s ILE 18 Ca 0.05 0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 58.96 3kqa s ILE 18 Cb -0.16 -3.39 0.06 0.00 -1.58 0.00 0.00 42.46 37.39 3kqa s ILE 18 CO 0.05 0.02 1.10 -0.44 -1.23 0.00 0.00 174.94 174.44 3kqa s SER 19 N 1.68 4.63 0.60 3.58 0.01 -1.26 -4.79 113.70 118.14 3kqa s SER 19 Ca 0.70 1.22 -0.16 0.00 1.31 0.00 0.00 55.95 59.02 3kqa s SER 19 Cb -0.40 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 3kqa s SER 19 CO 0.31 -1.87 1.06 -0.83 0.41 0.00 0.00 173.24 172.32 3kqa s GLY 20 N -4.04 2.12 -0.17 3.44 0.00 -1.24 -1.51 107.32 105.92 3kqa s GLY 20 Ca 0.60 0.40 -0.29 0.00 0.00 0.00 0.00 44.72 45.43 3kqa s GLY 20 CO 0.53 0.72 1.31 0.00 0.00 0.00 0.00 173.10 175.66 3kqa s ALA 21 N -2.46 3.63 0.33 3.20 0.00 -0.68 -4.32 121.76 121.46 3kqa s ALA 21 Ca 0.64 0.47 0.03 0.00 0.00 0.00 0.00 51.96 53.10 3kqa s ALA 21 Cb -0.16 -3.65 0.62 0.00 0.00 0.00 0.00 23.12 19.93 3kqa s ALA 21 CO 0.38 -1.25 1.93 -0.22 0.00 0.00 0.00 175.76 176.60 3kqa h LYS 22 N 8.44 0.88 0.00 0.00 3.64 -1.92 0.23 116.57 127.84 3kqa h LYS 22 Ca -0.28 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3kqa h LYS 22 Cb 1.11 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3kqa h LYS 22 CO 0.97 0.58 0.00 0.09 -2.27 0.00 0.00 179.45 178.83 3kqa n ASN 23 N -4.48 0.00 -0.04 4.20 3.02 -1.26 -0.96 115.26 115.73 3kqa n ASN 23 Ca 0.12 0.42 -0.05 0.00 -0.03 0.00 0.00 54.58 55.05 3kqa n ASN 23 Cb 0.21 -0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.45 1.78 -0.08 5.41 0.00 -0.12 -4.50 120.51 121.54 3kqa n ALA 24 Ca 0.03 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 3kqa n ALA 24 Cb 0.12 0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 0.38 0.34 0.60 0.00 0.00 -0.13 -2.68 119.26 117.77 3kqa h ALA 25 Ca -0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3kqa h ALA 25 Cb 1.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3kqa h ALA 25 CO 0.01 0.06 -0.44 -0.07 0.00 0.00 0.00 179.25 178.81 3kqa h LEU 26 N 0.23 -1.13 -2.24 0.00 3.38 -1.30 0.19 115.31 114.43 3kqa h LEU 26 Ca 0.07 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kqa h LEU 26 Cb 0.39 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3kqa h LEU 26 CO 0.01 -0.64 -0.00 1.55 0.09 0.00 0.00 178.44 179.45 3kqa h PRO 27 N -1.00 0.00 -0.11 1.13 0.13 -1.79 -1.93 132.00 128.44 3kqa h PRO 27 Ca -0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.90 3kqa h PRO 27 Cb 0.83 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.97 3kqa h PRO 27 CO 0.03 0.00 -0.55 0.82 -0.23 0.00 0.00 178.00 178.07 3kqa h ILE 28 N 0.00 1.35 -0.33 -3.56 2.04 -1.07 -1.81 117.51 114.14 3kqa h ILE 28 Ca -0.00 -1.86 0.04 0.00 1.00 0.00 0.00 64.86 64.04 3kqa h ILE 28 Cb 0.01 2.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3kqa h ILE 28 CO 0.00 0.56 0.11 -0.07 0.00 0.00 0.00 178.15 178.75 3kqa h LEU 29 N 0.18 0.11 -0.82 1.44 3.38 0.13 0.56 115.31 120.30 3kqa h LEU 29 Ca -0.04 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3kqa h LEU 29 Cb 1.20 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3kqa h LEU 29 CO 0.11 0.10 0.17 -0.26 0.09 0.00 0.00 178.44 178.66 3kqa h PHE 30 N 0.25 1.10 0.00 1.13 -1.00 -1.48 -1.93 116.94 115.01 3kqa h PHE 30 Ca 0.15 -0.12 -0.03 0.00 2.81 0.00 0.00 57.97 60.78 3kqa h PHE 30 Cb 0.12 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.36 3kqa h PHE 30 CO -0.14 0.90 -0.15 0.00 -1.61 0.00 0.00 178.31 177.31 3kqa h ALA 31 N 1.17 1.49 -0.02 2.45 0.00 -0.40 0.12 119.26 124.07 3kqa h ALA 31 Ca 0.21 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kqa h ALA 31 Cb 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kqa h ALA 31 CO -0.00 0.18 0.13 0.00 0.00 0.00 0.00 179.25 179.56 3kqa h ALA 32 N 1.85 1.21 0.00 0.00 0.00 -0.09 0.21 119.26 122.44 3kqa h ALA 32 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kqa h ALA 32 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kqa h ALA 32 CO 0.02 -0.13 0.00 -0.07 0.00 0.00 0.00 179.25 179.06 3kqa h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.03 -0.03 115.31 117.63 3kqa h LEU 33 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kqa h LEU 33 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kqa h LEU 33 CO -0.00 0.00 -0.20 -0.07 0.09 0.00 0.00 178.44 178.26 3kqa h LEU 34 N 0.00 0.00 -9.05 1.67 3.38 -0.76 -3.46 115.31 107.09 3kqa h LEU 34 Ca 0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3kqa h LEU 34 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3kqa h LEU 34 CO 0.00 0.00 0.94 0.00 0.09 0.00 0.00 178.44 179.47 3kqa s ALA 35 N -3.23 3.51 -0.92 1.53 0.00 -0.03 -4.18 121.76 118.44 3kqa s ALA 35 Ca 0.06 0.26 0.27 0.00 0.00 0.00 0.00 51.96 52.56 3kqa s ALA 35 Cb 0.07 -3.70 1.09 0.00 0.00 0.00 0.00 23.12 20.58 3kqa s ALA 35 CO 0.69 -1.48 1.86 0.39 0.00 0.00 0.00 175.76 177.22 3kqa n GLU 36 N 6.97 0.07 -4.31 0.00 1.02 -0.83 -4.13 120.64 119.43 3kqa n GLU 36 Ca 0.14 0.08 -0.21 0.00 -0.02 0.00 0.00 57.16 57.15 3kqa n GLU 36 Cb 0.46 -1.58 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 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 -3.03 1.21 0.15 3.49 2.02 -1.26 -4.08 118.70 117.20 3kqa s GLU 37 Ca 0.13 -1.37 -0.27 0.00 0.02 0.00 0.00 54.97 53.47 3kqa s GLU 37 Cb 0.17 -1.21 -0.16 0.00 0.10 0.00 0.00 34.13 33.03 3kqa s GLU 37 CO 0.53 0.24 0.56 -2.30 0.02 0.00 0.00 175.26 174.31 3kqa n PRO 38 N 0.34 0.00 -4.44 0.39 -0.02 -1.26 -3.54 135.00 126.46 3kqa n PRO 38 Ca -0.14 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.15 3kqa n PRO 38 Cb 0.57 -0.98 -0.15 0.00 -0.02 0.00 0.00 33.50 32.92 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 -0.74 0.85 -0.19 -1.45 1.01 0.78 -0.36 120.40 120.30 3kqa s VAL 39 Ca 0.62 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3kqa s VAL 39 Cb -0.89 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 34.80 3kqa s VAL 39 CO 0.51 0.21 -0.13 -0.70 0.00 0.00 0.00 175.10 174.98 3kqa s GLU 40 N -0.34 2.34 -0.33 2.72 2.12 0.12 -0.49 118.70 124.84 3kqa s GLU 40 Ca 0.04 -0.86 -0.10 0.00 0.36 0.00 0.00 54.97 54.41 3kqa s GLU 40 Cb -0.04 -2.47 0.00 0.00 0.26 0.00 0.00 34.13 31.88 3kqa s GLU 40 CO -0.00 -0.36 0.16 0.42 -0.54 0.00 0.00 175.26 174.94 3kqa s ILE 41 N 1.34 4.56 0.28 -3.70 1.01 -0.42 -0.53 121.20 123.75 3kqa s ILE 41 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3kqa s ILE 41 Cb -0.15 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 3kqa s ILE 41 CO -0.09 -0.02 0.45 -1.10 0.00 0.00 0.00 174.94 174.18 3kqa s GLN 42 N 1.59 3.49 -0.96 2.79 -0.21 0.41 -0.36 119.66 126.40 3kqa s GLN 42 Ca 0.04 -0.45 -0.05 0.00 0.02 0.00 0.00 55.36 54.92 3kqa s GLN 42 Cb -0.18 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.07 3kqa s GLN 42 CO 0.06 0.30 0.84 -1.71 -2.12 0.00 0.00 175.29 172.65 3kqa n ASN 43 N -1.36 -4.67 -4.66 5.90 5.15 -1.13 -0.63 115.26 113.86 3kqa n ASN 43 Ca -0.06 -0.40 -0.38 0.00 -0.60 0.00 0.00 54.58 53.14 3kqa n ASN 43 Cb 0.56 -3.79 -0.08 0.00 -0.53 0.00 0.00 39.78 35.93 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 -3.24 5.22 0.78 3.44 1.01 -0.82 -3.69 120.40 123.10 3kqa s VAL 44 Ca 0.36 0.59 -0.11 0.00 0.00 0.00 0.00 61.98 62.82 3kqa s VAL 44 Cb -0.16 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.60 3kqa s VAL 44 CO 0.53 0.25 1.09 -2.16 0.00 0.00 0.00 175.10 174.80 3kqa s PRO 45 N 1.41 2.21 -0.75 2.72 0.04 -1.26 -4.74 135.00 134.62 3kqa s PRO 45 Ca 0.16 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 3kqa s PRO 45 Cb -0.15 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.64 3kqa s PRO 45 CO 0.08 -1.63 0.83 0.15 0.04 0.00 0.00 177.00 176.47 3kqa s LYS 46 N -4.96 3.36 0.09 4.56 1.02 -1.26 -4.87 119.74 117.68 3kqa s LYS 46 Ca 0.61 -1.78 0.04 0.00 0.02 0.00 0.00 55.97 54.85 3kqa s LYS 46 Cb -0.16 -4.49 -0.04 0.00 -0.52 0.00 0.00 37.83 32.62 3kqa s LYS 46 CO 0.56 -1.53 -0.10 -0.51 -0.92 0.00 0.00 175.35 172.85 3kqa s LEU 47 N 1.93 2.41 0.21 3.17 1.43 -1.26 -4.84 118.68 121.73 3kqa s LEU 47 Ca 0.19 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 3kqa s LEU 47 Cb -0.15 -0.29 0.23 0.00 0.03 0.00 0.00 46.19 46.02 3kqa s LEU 47 CO -0.03 -0.27 1.60 0.50 0.23 0.00 0.00 176.35 178.39 3kqa h LYS 48 N 3.56 -0.05 -0.41 1.70 3.64 -1.85 0.10 116.57 123.27 3kqa h LYS 48 Ca -0.37 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.07 3kqa h LYS 48 Cb 1.19 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 3kqa h LYS 48 CO 0.53 -0.03 0.28 -0.44 -2.27 0.00 0.00 179.45 177.52 3kqa h ASP 49 N -0.05 0.26 -0.31 4.20 3.32 -1.97 0.14 116.42 122.01 3kqa h ASP 49 Ca 0.31 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 3kqa h ASP 49 Cb 0.53 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3kqa h ASP 49 CO -0.72 0.17 -0.08 0.40 -1.72 0.00 0.00 179.24 177.29 3kqa h ILE 50 N 0.30 1.28 -0.02 0.35 1.08 -1.33 -0.30 117.51 118.88 3kqa h ILE 50 Ca 0.18 -1.12 -0.00 0.00 -0.39 0.00 0.00 64.86 63.53 3kqa h ILE 50 Cb 0.34 1.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 3kqa h ILE 50 CO -0.04 0.36 0.01 0.44 -0.69 0.00 0.00 178.15 178.23 3kqa h ASP 51 N 0.36 0.02 -0.60 1.72 3.32 -0.59 -1.12 116.42 119.53 3kqa h ASP 51 Ca 0.08 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.19 3kqa h ASP 51 Cb 0.57 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.03 3kqa h ASP 51 CO 0.03 0.05 0.18 0.74 -1.72 0.00 0.00 179.24 178.52 3kqa h THR 52 N -0.01 0.71 -0.70 0.35 2.02 -0.76 -1.91 112.91 112.61 3kqa h THR 52 Ca 0.01 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3kqa h THR 52 Cb 0.03 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 3kqa h THR 52 CO -0.00 0.06 0.32 0.74 0.37 0.00 0.00 175.52 177.01 3kqa h THR 53 N 0.33 1.24 0.03 3.16 2.02 -0.45 -0.89 112.91 118.35 3kqa h THR 53 Ca 0.31 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3kqa h THR 53 Cb 0.42 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3kqa h THR 53 CO -0.35 0.28 -0.03 0.24 0.37 0.00 0.00 175.52 176.03 3kqa h MET 54 N 0.98 -0.07 -0.61 6.66 2.07 -0.50 0.36 114.93 123.83 3kqa h MET 54 Ca 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.88 3kqa h MET 54 Cb 0.15 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.86 3kqa h MET 54 CO -0.03 -0.05 0.39 0.87 1.07 0.00 0.00 176.91 179.17 3kqa h LYS 55 N -0.07 0.81 0.13 1.72 1.57 -1.25 0.13 116.57 119.60 3kqa h LYS 55 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3kqa h LYS 55 Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3kqa h LYS 55 CO -0.02 0.55 -0.06 1.25 -0.57 0.00 0.00 179.45 180.60 3kqa h LEU 56 N 0.83 -0.15 -0.93 2.94 6.46 -0.17 -1.63 115.31 122.67 3kqa h LEU 56 Ca 0.22 -0.24 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 3kqa h LEU 56 Cb -0.08 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.83 3kqa h LEU 56 CO -0.05 0.17 0.60 -0.07 -0.62 0.00 0.00 178.44 178.47 3kqa h LEU 57 N -0.47 0.98 -0.37 2.25 3.38 0.22 -2.45 115.31 118.84 3kqa h LEU 57 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kqa h LEU 57 Cb 0.38 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3kqa h LEU 57 CO 0.03 0.65 0.21 0.74 0.09 0.00 0.00 178.44 180.16 3kqa h THR 58 N 1.13 1.02 -0.21 0.22 2.02 -0.67 -0.55 112.91 115.88 3kqa h THR 58 Ca 0.38 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.48 3kqa h THR 58 Cb 0.07 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3kqa h THR 58 CO -0.14 0.08 0.25 -0.61 0.37 0.00 0.00 175.52 175.46 3kqa h GLN 59 N 0.43 0.00 -0.00 6.66 5.75 -0.81 0.32 115.11 127.45 3kqa h GLN 59 Ca 0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3kqa h GLN 59 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 3kqa h GLN 59 CO -0.08 0.00 -0.21 1.28 -2.65 0.00 0.00 178.83 177.17 3kqa n LEU 60 N -3.72 0.65 0.00 -2.39 4.77 -0.25 -4.80 117.00 111.25 3kqa n LEU 60 Ca 0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3kqa n LEU 60 Cb 0.38 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3kqa n LEU 60 CO 0.27 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3kqa n GLY 61 N 1.34 1.14 3.79 -0.72 0.00 0.10 -2.21 105.19 108.64 3kqa n GLY 61 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 4.42 -0.22 2.61 2.01 -0.96 -3.80 115.64 117.70 3kqa s THR 62 Ca 0.00 1.58 -0.17 0.00 0.31 0.00 0.00 61.69 63.40 3kqa s THR 62 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3kqa s THR 62 CO 0.00 0.38 0.48 -0.54 -0.69 0.00 0.00 174.62 174.26 3kqa s LYS 63 N -1.51 4.13 0.00 4.92 1.02 -0.40 -4.14 119.74 123.78 3kqa s LYS 63 Ca 0.39 0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.71 3kqa s LYS 63 Cb -0.21 -3.59 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 3kqa s LYS 63 CO 0.24 -0.20 -0.04 0.08 -0.92 0.00 0.00 175.35 174.51 3kqa s VAL 64 N 1.82 0.29 0.01 3.17 1.01 -1.26 -0.99 120.40 124.44 3kqa s VAL 64 Ca 0.21 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.66 3kqa s VAL 64 Cb -0.15 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 36.01 3kqa s VAL 64 CO 0.09 -0.00 0.57 -1.83 0.00 0.00 0.00 175.10 173.92 3kqa s GLU 65 N -0.31 1.02 0.33 2.72 -1.05 -0.90 -5.00 118.70 115.51 3kqa s GLU 65 Ca -0.01 -0.05 0.05 0.00 -0.15 0.00 0.00 54.97 54.82 3kqa s GLU 65 Cb -0.03 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 3kqa s GLU 65 CO -0.00 -0.35 0.30 -0.98 0.95 0.00 0.00 175.26 175.19 3kqa s ARG 66 N -1.91 1.76 0.00 -4.83 1.70 -1.26 0.41 118.95 114.82 3kqa s ARG 66 Ca -0.08 -1.97 0.00 0.00 -0.47 0.00 0.00 55.73 53.21 3kqa s ARG 66 Cb -0.01 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 3kqa s ARG 66 CO 0.03 -0.66 0.00 -0.40 -1.08 0.00 0.00 175.30 173.18 3kqa n ASP 67 N -1.48 0.00 0.04 -2.89 5.68 -1.26 -4.97 116.55 111.66 3kqa n ASP 67 Ca 0.06 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.47 3kqa n ASP 67 Cb 0.62 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.67 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 4.27 -1.28 3.82 6.12 0.00 -1.26 -5.14 105.19 111.72 3kqa n GLY 68 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.09 5.00 -0.13 1.61 0.01 -1.26 -1.95 113.70 112.88 3kqa s SER 69 Ca 0.04 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.62 3kqa s SER 69 Cb 0.14 -0.75 0.02 0.00 0.21 0.00 0.00 66.02 65.64 3kqa s SER 69 CO 0.78 -0.45 -0.14 -0.69 0.41 0.00 0.00 173.24 173.15 3kqa s VAL 70 N -2.41 1.53 -0.17 3.43 1.01 0.52 -4.20 120.40 120.11 3kqa s VAL 70 Ca 0.42 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 3kqa s VAL 70 Cb -0.03 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3kqa s VAL 70 CO 0.26 0.45 0.24 0.26 0.00 0.00 0.00 175.10 176.31 3kqa s TRP 71 N 1.33 3.46 -0.05 5.22 0.51 0.16 -1.30 118.94 128.27 3kqa s TRP 71 Ca 0.01 0.52 0.05 0.00 -2.12 0.00 0.00 56.10 54.56 3kqa s TRP 71 Cb -0.13 -2.27 -0.01 0.00 -0.81 0.00 0.00 33.47 30.25 3kqa s TRP 71 CO -0.07 0.28 -0.20 0.42 -0.51 0.00 0.00 176.95 176.87 3kqa s ILE 72 N 0.34 1.62 -0.32 2.03 -1.09 0.35 -2.11 121.20 122.02 3kqa s ILE 72 Ca 0.14 -0.82 -0.01 0.00 -2.23 0.00 0.00 60.65 57.73 3kqa s ILE 72 Cb -0.12 -1.38 0.11 0.00 -1.58 0.00 0.00 42.46 39.48 3kqa s ILE 72 CO 0.02 0.46 0.12 -0.62 -1.23 0.00 0.00 174.94 173.70 3kqa s ASP 73 N -0.02 3.85 -0.06 3.58 3.68 -0.16 -0.15 116.67 127.38 3kqa s ASP 73 Ca -0.04 -1.70 0.19 0.00 2.13 0.00 0.00 52.55 53.13 3kqa s ASP 73 Cb -0.12 -0.76 0.66 0.00 -1.45 0.00 0.00 42.92 41.24 3kqa s ASP 73 CO 0.03 -0.40 1.55 0.00 0.13 0.00 0.00 175.17 176.48 3kqa n ALA 74 N 4.75 2.77 0.25 3.66 0.00 -1.26 -1.27 120.51 129.41 3kqa n ALA 74 Ca -0.01 -1.37 0.10 0.00 0.00 0.00 0.00 53.44 52.16 3kqa n ALA 74 Cb 0.41 -0.99 0.49 0.00 0.00 0.00 0.00 19.45 19.36 3kqa n ALA 74 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kqa n SER 75 N 1.28 0.53 -0.32 0.00 3.41 -1.26 -2.74 113.62 114.52 3kqa n SER 75 Ca 0.24 0.69 0.08 0.00 -0.26 0.00 0.00 58.87 59.63 3kqa n SER 75 Cb 0.74 -0.78 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 3kqa n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kqa n ASN 76 N -2.15 2.77 -4.65 4.04 3.02 -1.26 -5.04 115.26 111.98 3kqa n ASN 76 Ca 0.00 -2.90 -0.48 0.00 -0.03 0.00 0.00 54.58 51.17 3kqa n ASN 76 Cb 0.11 -0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 38.83 3kqa n ASN 76 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kqa n VAL 77 N -0.98 0.06 -0.62 2.41 0.31 -1.11 -4.80 118.33 113.60 3kqa n VAL 77 Ca 0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3kqa n VAL 77 Cb 0.66 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 3.51 0.06 -4.09 4.52 0.23 -0.96 -5.01 115.26 113.51 3kqa n ASN 78 Ca 0.18 -0.69 -0.29 0.00 -0.53 0.00 0.00 54.58 53.25 3kqa n ASN 78 Cb 0.26 0.03 -0.17 0.00 -2.08 0.00 0.00 39.78 37.82 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 -0.03 2.55 -0.38 0.53 2.47 -0.94 -5.04 114.94 114.10 3kqa s ASN 79 Ca 0.00 -0.46 0.06 0.00 0.42 0.00 0.00 52.86 52.88 3kqa s ASN 79 Cb 0.00 -1.16 0.51 0.00 -1.45 0.00 0.00 41.25 39.16 3kqa s ASN 79 CO 0.00 0.05 1.59 0.49 -3.72 0.00 0.00 177.10 175.51 3kqa n PHE 80 N 4.01 2.06 -3.76 0.43 3.72 -1.26 -4.57 117.46 118.09 3kqa n PHE 80 Ca -0.20 -2.01 -0.18 0.00 -0.05 0.00 0.00 57.45 55.01 3kqa n PHE 80 Cb 0.52 -0.71 -0.17 0.00 -0.94 0.00 0.00 39.48 38.18 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 -2.41 0.67 -0.50 4.37 0.15 -1.26 -0.81 113.70 113.90 3kqa s SER 81 Ca 0.51 0.03 -0.21 0.00 0.70 0.00 0.00 55.95 56.99 3kqa s SER 81 Cb 0.44 -0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.64 3kqa s SER 81 CO 0.02 -0.17 0.71 0.00 1.20 0.00 0.00 173.24 174.99 3kqa s ALA 82 N 1.55 3.32 0.77 5.45 0.00 0.18 -4.88 121.76 128.15 3kqa s ALA 82 Ca -0.03 -1.51 -0.12 0.00 0.00 0.00 0.00 51.96 50.30 3kqa s ALA 82 Cb -0.13 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.62 3kqa s ALA 82 CO -0.03 -2.05 1.14 -1.25 0.00 0.00 0.00 175.76 173.57 3kqa s PRO 83 N 2.99 2.05 0.31 0.00 0.04 -1.26 -1.78 135.00 137.34 3kqa s PRO 83 Ca 0.20 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.72 3kqa s PRO 83 Cb -0.16 -1.85 0.57 0.00 0.04 0.00 0.00 34.50 33.09 3kqa s PRO 83 CO 0.15 -1.85 1.90 -0.92 0.04 0.00 0.00 177.00 176.33 3kqa h TYR 84 N -0.84 1.03 0.00 0.56 3.20 -1.93 -2.25 116.97 116.73 3kqa h TYR 84 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3kqa h TYR 84 Cb 1.26 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.19 3kqa h TYR 84 CO 0.53 0.51 0.00 0.38 -1.64 0.00 0.00 178.16 177.93 3kqa h ASP 85 N 0.98 0.00 0.14 -2.11 2.03 -1.98 0.35 116.42 115.83 3kqa h ASP 85 Ca 0.41 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.63 3kqa h ASP 85 Cb 0.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 3kqa h ASP 85 CO -0.17 0.00 -1.94 0.18 -1.03 0.00 0.00 179.24 176.28 3kqa n LEU 86 N -2.31 0.13 -0.00 0.15 4.77 -0.87 -4.56 117.00 114.31 3kqa n LEU 86 Ca 0.02 0.05 0.07 0.00 -0.03 0.00 0.00 56.01 56.12 3kqa n LEU 86 Cb 0.22 0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 3kqa n LEU 86 CO 0.19 0.08 -0.39 1.33 -1.33 0.00 0.00 177.39 177.28 3kqa n VAL 87 N -2.43 0.00 0.02 4.08 0.24 -1.03 -4.70 118.33 114.51 3kqa n VAL 87 Ca -0.09 -0.26 0.22 0.00 -2.04 0.00 0.00 64.34 62.17 3kqa n VAL 87 Cb 0.69 0.54 0.71 0.00 -1.47 0.00 0.00 33.84 34.31 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 0.00 -0.01 7.34 2.10 -1.18 -0.58 116.57 124.24 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 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 3kqa h LYS 88 CO 0.00 0.00 -0.45 0.25 -2.00 0.00 0.00 179.45 177.25 3kqa n THR 89 N -3.72 0.00 -3.60 0.07 -2.24 -1.26 -4.87 114.28 98.65 3kqa n THR 89 Ca 0.11 -0.16 -0.26 0.00 -2.27 0.00 0.00 64.05 61.47 3kqa n THR 89 Cb 0.77 0.80 -0.17 0.00 -2.10 0.00 0.00 70.33 69.64 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 -2.59 0.08 0.53 -0.78 -2.45 -0.23 -4.99 119.30 108.87 3kqa s MET 90 Ca 0.19 -0.13 0.19 0.00 -1.25 0.00 0.00 55.69 54.69 3kqa s MET 90 Cb 0.18 -1.75 1.36 0.00 1.25 0.00 0.00 34.83 35.87 3kqa s MET 90 CO 0.60 -0.71 2.14 0.00 1.05 0.00 0.00 175.02 178.09 3kqa h ARG 91 N 8.42 0.00 0.00 4.11 2.47 -1.90 -2.00 114.38 125.48 3kqa h ARG 91 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3kqa h ARG 91 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 3kqa h ARG 91 CO 0.31 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.84 3kqa n ALA 92 N -2.53 1.31 0.05 0.04 0.00 -1.26 -2.10 120.51 116.02 3kqa n ALA 92 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.51 3kqa n ALA 92 Cb 0.17 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.89 0.05 0.26 0.00 3.41 -0.75 -0.73 113.62 113.96 3kqa n SER 93 Ca 0.01 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 3kqa n SER 93 Cb 0.10 -0.53 0.68 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 0.76 0.00 -1.33 6.09 -1.67 -2.29 117.51 119.06 3kqa h ILE 94 Ca 0.00 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3kqa h ILE 94 Cb 0.02 1.28 0.00 0.00 0.47 0.00 0.00 36.82 38.59 3kqa h ILE 94 CO 0.00 0.12 0.00 0.79 -3.07 0.00 0.00 178.15 175.99 3kqa n TRP 95 N -3.92 0.00 0.17 2.19 8.01 0.09 -1.67 117.44 122.30 3kqa n TRP 95 Ca -0.02 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.26 3kqa n TRP 95 Cb 0.21 -0.23 0.09 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 2.38 0.82 0.61 6.99 0.00 -1.63 -3.38 119.26 125.05 3kqa h ALA 96 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3kqa h ALA 96 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kqa h ALA 96 CO 0.00 0.20 -0.30 1.25 0.00 0.00 0.00 179.25 180.41 3kqa h LEU 97 N 0.00 -0.71 0.05 0.00 5.85 -1.52 -2.45 115.31 116.52 3kqa h LEU 97 Ca -0.01 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3kqa h LEU 97 Cb 1.13 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 3kqa h LEU 97 CO 0.02 -0.50 -0.18 1.23 -0.34 0.00 0.00 178.44 178.66 3kqa h GLY 98 N -0.82 -0.29 1.01 3.75 0.00 -1.77 -1.66 103.07 103.30 3kqa h GLY 98 Ca -0.08 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3kqa h GLY 98 CO 0.13 -0.17 0.56 -2.55 0.00 0.00 0.00 176.54 174.51 3kqa h PRO 99 N -0.32 1.21 0.58 4.80 0.11 -1.73 0.22 132.00 136.86 3kqa h PRO 99 Ca 0.04 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3kqa h PRO 99 Cb 0.37 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3kqa h PRO 99 CO -0.14 0.83 -0.29 -0.07 -0.21 0.00 0.00 178.00 178.12 3kqa h LEU 100 N 1.23 -0.70 -0.77 2.35 3.38 -1.22 -0.78 115.31 118.81 3kqa h LEU 100 Ca 0.32 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.22 3kqa h LEU 100 Cb -0.08 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kqa h LEU 100 CO -0.06 -0.49 -0.12 1.62 0.09 0.00 0.00 178.44 179.48 3kqa h VAL 101 N -0.80 1.26 0.00 1.22 3.04 -1.24 0.37 116.25 120.11 3kqa h VAL 101 Ca -0.08 -1.20 -0.03 0.00 -1.01 0.00 0.00 66.70 64.38 3kqa h VAL 101 Cb 0.62 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3kqa h VAL 101 CO 0.12 0.41 -0.15 0.00 -1.01 0.00 0.00 177.57 176.94 3kqa h ALA 102 N 1.14 1.13 0.00 3.17 0.00 -0.38 -2.27 119.26 122.05 3kqa h ALA 102 Ca 0.12 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3kqa h ALA 102 Cb 0.62 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3kqa h ALA 102 CO 0.04 0.19 -1.63 -2.13 0.00 0.00 0.00 179.25 175.73 3kqa n ARG 103 N -3.47 1.69 -0.00 0.00 0.63 -0.31 -4.79 116.66 110.41 3kqa n ARG 103 Ca -0.01 0.02 0.06 0.00 -0.92 0.00 0.00 57.85 57.00 3kqa n ARG 103 Cb 0.32 -1.23 -0.08 0.00 0.45 0.00 0.00 32.46 31.93 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 -2.52 0.00 -0.50 -0.14 3.01 0.13 -5.01 117.46 112.44 3kqa n PHE 104 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3kqa n PHE 104 Cb 0.76 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 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 1.35 0.75 3.59 1.37 0.00 -0.85 -4.98 105.19 106.41 3kqa n GLY 105 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.50 0.65 -0.09 1.61 -2.07 -1.25 -1.60 119.66 116.41 3kqa s GLN 106 Ca 0.00 0.32 -0.30 0.00 -1.82 0.00 0.00 55.36 53.56 3kqa s GLN 106 Cb 0.00 0.31 0.08 0.00 -1.09 0.00 0.00 33.01 32.31 3kqa s GLN 106 CO 0.00 -0.17 0.73 0.20 -1.32 0.00 0.00 175.29 174.74 3kqa s GLY 107 N -0.68 -0.52 -0.11 2.60 0.00 -0.75 -3.76 107.32 104.09 3kqa s GLY 107 Ca -0.02 1.50 -0.06 0.00 0.00 0.00 0.00 44.72 46.15 3kqa s GLY 107 CO 0.01 1.05 0.26 1.62 0.00 0.00 0.00 173.10 176.03 3kqa s GLN 108 N -1.03 0.22 -0.12 2.90 0.74 0.01 -1.34 119.66 121.03 3kqa s GLN 108 Ca -0.09 0.56 0.02 0.00 0.05 0.00 0.00 55.36 55.90 3kqa s GLN 108 Cb -0.01 -0.11 0.02 0.00 1.10 0.00 0.00 33.01 34.01 3kqa s GLN 108 CO 0.08 -0.17 -0.17 0.08 -0.55 0.00 0.00 175.29 174.57 3kqa s VAL 109 N 1.30 1.65 0.48 1.34 1.01 -0.67 -0.65 120.40 124.87 3kqa s VAL 109 Ca -0.09 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 3kqa s VAL 109 Cb -0.10 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 3kqa s VAL 109 CO -0.09 0.47 0.98 -0.55 0.00 0.00 0.00 175.10 175.91 3kqa s SER 110 N 1.05 6.70 0.00 3.32 0.15 -0.73 -1.21 113.70 122.98 3kqa s SER 110 Ca -0.04 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.25 3kqa s SER 110 Cb -0.15 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 3kqa s SER 110 CO -0.04 -0.53 0.00 0.18 1.20 0.00 0.00 173.24 174.06 3kqa n LEU 111 N -1.21 0.00 -4.72 3.45 4.77 -0.72 -4.80 117.00 113.77 3kqa n LEU 111 Ca 0.07 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 3kqa n LEU 111 Cb 0.54 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.73 3kqa n LEU 111 CO 0.43 0.00 0.77 -2.16 -1.33 0.00 0.00 177.39 175.09 3kqa s PRO 112 N 0.00 1.98 1.09 3.23 0.04 -1.26 -3.77 135.00 136.32 3kqa s PRO 112 Ca 0.00 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3kqa s PRO 112 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3kqa s PRO 112 CO 0.00 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.51 3kqa n GLY 113 N 0.20 1.08 2.42 0.56 0.00 -1.19 -5.03 105.19 103.23 3kqa n GLY 113 Ca 0.13 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 1.53 0.00 -0.02 0.00 -1.26 -4.61 105.19 100.83 3kqa n GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.78 0.00 -0.09 4.61 0.00 -1.26 -4.89 120.51 119.66 3kqa n ALA 116 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 3kqa n ALA 116 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 1.28 -4.31 0.00 2.04 -2.06 -3.45 117.51 111.01 3kqa h ILE 117 Ca 0.00 -1.60 -0.51 0.00 1.00 0.00 0.00 64.86 63.75 3kqa h ILE 117 Cb 0.00 1.46 0.10 0.00 -0.74 0.00 0.00 36.82 37.64 3kqa h ILE 117 CO 0.00 0.53 0.35 -0.83 0.00 0.00 0.00 178.15 178.20 3kqa s GLY 118 N -3.91 1.66 0.33 5.37 0.00 -1.26 -4.97 107.32 104.54 3kqa s GLY 118 Ca -0.10 0.02 -0.27 0.00 0.00 0.00 0.00 44.72 44.37 3kqa s GLY 118 CO 0.87 0.37 0.98 0.00 0.00 0.00 0.00 173.10 175.33 3kqa n ALA 119 N -3.27 -0.18 -3.72 3.20 0.00 -1.26 -5.00 120.51 110.28 3kqa n ALA 119 Ca 0.08 0.34 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 3kqa n ALA 119 Cb 0.54 -2.02 -0.16 0.00 0.00 0.00 0.00 19.45 17.81 3kqa n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kqa s ARG 120 N -1.67 0.26 0.30 0.00 1.81 -1.26 -5.04 118.95 113.34 3kqa s ARG 120 Ca 0.60 0.11 0.03 0.00 -1.72 0.00 0.00 55.73 54.75 3kqa s ARG 120 Cb -0.66 -0.50 0.76 0.00 -0.45 0.00 0.00 34.95 34.10 3kqa s ARG 120 CO 0.59 -0.17 1.64 -1.35 -0.68 0.00 0.00 175.30 175.33 3kqa h PRO 121 N 7.43 0.18 -0.18 3.54 0.11 -1.95 0.20 132.00 141.32 3kqa h PRO 121 Ca -0.39 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.77 3kqa h PRO 121 Cb 1.13 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3kqa h PRO 121 CO 0.43 0.12 0.18 -0.24 -0.21 0.00 0.00 178.00 178.28 3kqa h VAL 122 N 0.19 0.57 -0.70 3.15 3.04 -1.96 -2.53 116.25 118.00 3kqa h VAL 122 Ca 0.58 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 66.35 3kqa h VAL 122 Cb 1.19 0.86 -0.07 0.00 -2.01 0.00 0.00 31.29 31.27 3kqa h VAL 122 CO -0.68 0.00 0.37 0.44 -1.01 0.00 0.00 177.57 176.69 3kqa h ASP 123 N 0.00 0.51 0.05 3.17 3.32 -0.95 0.16 116.42 122.68 3kqa h ASP 123 Ca 0.09 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3kqa h ASP 123 Cb 0.45 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3kqa h ASP 123 CO -0.00 0.30 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.50 3kqa h LEU 124 N 0.64 0.33 -0.08 1.55 3.38 -1.60 -0.73 115.31 118.80 3kqa h LEU 124 Ca 0.34 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3kqa h LEU 124 Cb 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kqa h LEU 124 CO -0.24 0.59 -0.05 0.45 0.09 0.00 0.00 178.44 179.28 3kqa h HIS 125 N 0.30 0.21 -0.67 1.13 3.86 -1.22 -2.45 115.15 116.31 3kqa h HIS 125 Ca 0.05 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3kqa h HIS 125 Cb 0.61 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 3kqa h HIS 125 CO 0.01 0.57 0.44 0.82 0.86 0.00 0.00 177.93 180.63 3kqa h ILE 126 N -0.20 1.14 0.07 2.45 2.04 -0.56 -1.88 117.51 120.58 3kqa h ILE 126 Ca 0.02 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3kqa h ILE 126 Cb 0.52 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3kqa h ILE 126 CO 0.01 0.16 -0.03 0.15 0.00 0.00 0.00 178.15 178.44 3kqa h PHE 127 N 0.88 -0.08 -0.18 1.37 3.04 -1.14 0.42 116.94 121.24 3kqa h PHE 127 Ca 0.25 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.25 3kqa h PHE 127 Cb -0.06 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 3kqa h PHE 127 CO -0.03 0.04 -0.09 0.78 -2.02 0.00 0.00 178.31 177.00 3kqa h GLY 128 N -0.20 0.08 1.46 2.40 0.00 -1.26 -0.29 103.07 105.26 3kqa h GLY 128 Ca -0.01 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 3kqa h GLY 128 CO 0.02 -0.11 0.05 1.41 0.00 0.00 0.00 176.54 177.91 3kqa h LEU 129 N -0.06 0.63 -0.50 3.11 3.38 -1.23 -2.32 115.31 118.32 3kqa h LEU 129 Ca 0.10 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3kqa h LEU 129 Cb 0.21 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3kqa h LEU 129 CO -0.23 0.67 0.14 -0.08 0.09 0.00 0.00 178.44 179.03 3kqa h GLU 130 N 0.64 0.29 0.00 1.13 4.57 0.11 -1.87 114.58 119.45 3kqa h GLU 130 Ca 0.14 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3kqa h GLU 130 Cb 0.33 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3kqa h GLU 130 CO 0.01 0.19 -0.27 0.87 -1.18 0.00 0.00 179.01 178.63 3kqa h LYS 131 N 0.30 0.00 0.00 1.92 1.79 -0.56 -2.09 116.57 117.92 3kqa h LYS 131 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 3kqa h LYS 131 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3kqa h LYS 131 CO -0.29 0.27 0.00 1.28 -1.08 0.00 0.00 179.45 179.64 3kqa n LEU 132 N -3.85 0.00 0.00 2.94 4.77 -0.74 -4.71 117.00 115.41 3kqa n LEU 132 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3kqa n LEU 132 Cb 0.36 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3kqa n LEU 132 CO 0.35 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3kqa n GLY 133 N 0.80 1.17 3.89 -0.72 0.00 -0.79 -0.05 105.19 109.49 3kqa n GLY 133 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 3.89 -0.22 4.61 0.00 -0.96 -4.80 121.76 122.29 3kqa s ALA 134 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 3kqa s ALA 134 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 3kqa s ALA 134 CO 0.00 0.66 0.47 -2.00 0.00 0.00 0.00 175.76 174.89 3kqa s GLU 135 N -1.43 4.15 0.04 0.00 2.12 0.21 -4.34 118.70 119.45 3kqa s GLU 135 Ca 0.21 0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.87 3kqa s GLU 135 Cb -0.13 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 3kqa s GLU 135 CO 0.11 -0.16 0.06 0.42 -0.54 0.00 0.00 175.26 175.15 3kqa s ILE 136 N 1.68 4.49 -0.08 -3.70 -1.09 -1.26 -1.22 121.20 120.03 3kqa s ILE 136 Ca 0.21 -0.66 -0.02 0.00 -2.23 0.00 0.00 60.65 57.95 3kqa s ILE 136 Cb -0.15 -3.11 0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3kqa s ILE 136 CO 0.09 0.23 0.05 -0.54 -1.23 0.00 0.00 174.94 173.53 3kqa s LYS 137 N -2.07 0.18 -0.11 2.79 -0.14 -0.90 -4.99 119.74 114.50 3kqa s LYS 137 Ca 0.26 0.18 -0.01 0.00 -1.36 0.00 0.00 55.97 55.03 3kqa s LYS 137 Cb -0.12 -0.95 -0.03 0.00 -1.68 0.00 0.00 37.83 35.05 3kqa s LYS 137 CO 0.18 -0.40 -0.07 -1.17 -0.76 0.00 0.00 175.35 173.13 3kqa s LEU 138 N 2.09 3.14 0.26 3.17 2.96 -1.26 -0.71 118.68 128.32 3kqa s LEU 138 Ca 0.04 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3kqa s LEU 138 Cb -0.13 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 3kqa s LEU 138 CO -0.05 0.26 0.09 -1.61 -1.32 0.00 0.00 176.35 173.72 3kqa s GLU 139 N -0.19 1.42 0.51 1.98 0.41 -0.17 -5.02 118.70 117.64 3kqa s GLU 139 Ca 0.03 -1.77 0.29 0.00 -0.41 0.00 0.00 54.97 53.11 3kqa s GLU 139 Cb -0.13 -0.31 1.36 0.00 -1.78 0.00 0.00 34.13 33.27 3kqa s GLU 139 CO 0.03 -0.28 2.01 0.93 -0.49 0.00 0.00 175.26 177.46 3kqa h GLU 140 N 2.37 0.00 -0.02 1.61 5.08 -1.92 -3.10 114.58 118.60 3kqa h GLU 140 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3kqa h GLU 140 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3kqa h GLU 140 CO 0.62 0.13 -0.06 0.41 -1.00 0.00 0.00 179.01 179.10 3kqa n GLY 141 N -0.37 0.39 3.72 -3.84 0.00 -1.26 -3.20 105.19 100.63 3kqa n GLY 141 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.49 3kqa n GLY 141 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kqa s TYR 142 N -1.66 -0.02 -0.04 1.61 -0.85 -1.17 -1.75 117.35 113.47 3kqa s TYR 142 Ca 0.21 -0.09 -0.01 0.00 -0.52 0.00 0.00 57.07 56.66 3kqa s TYR 142 Cb 0.16 0.55 0.03 0.00 0.38 0.00 0.00 41.96 43.08 3kqa s TYR 142 CO 0.27 -0.28 0.03 0.54 -1.52 0.00 0.00 175.55 174.59 3kqa s VAL 143 N -2.29 0.04 0.33 -3.49 0.11 -0.35 -1.00 120.40 113.75 3kqa s VAL 143 Ca 0.18 0.28 0.08 0.00 -2.93 0.00 0.00 61.98 59.59 3kqa s VAL 143 Cb 0.03 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 3kqa s VAL 143 CO -0.03 0.17 0.22 -0.54 -3.33 0.00 0.00 175.10 171.59 3kqa s LYS 144 N 1.74 2.59 -0.18 1.54 1.02 0.11 -1.66 119.74 124.89 3kqa s LYS 144 Ca -0.00 -1.38 -0.23 0.00 0.02 0.00 0.00 55.97 54.38 3kqa s LYS 144 Cb -0.12 -2.36 0.06 0.00 -0.52 0.00 0.00 37.83 34.89 3kqa s LYS 144 CO -0.03 0.13 0.60 0.00 -0.92 0.00 0.00 175.35 175.13 3kqa s ALA 145 N -2.34 -1.51 0.08 5.17 0.00 -0.45 -2.12 121.76 120.59 3kqa s ALA 145 Ca 0.39 1.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.74 3kqa s ALA 145 Cb -0.05 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.38 3kqa s ALA 145 CO 0.25 -0.30 0.36 -1.54 0.00 0.00 0.00 175.76 174.52 3kqa s SER 146 N -0.10 -0.18 -0.28 0.00 1.04 -0.36 -1.81 113.70 112.00 3kqa s SER 146 Ca -0.03 -0.24 -0.19 0.00 0.48 0.00 0.00 55.95 55.96 3kqa s SER 146 Cb -0.04 0.42 0.12 0.00 0.10 0.00 0.00 66.02 66.63 3kqa s SER 146 CO 0.03 -0.74 0.94 0.54 0.98 0.00 0.00 173.24 174.99 3kqa s VAL 147 N -3.18 0.00 -0.62 5.02 0.11 -0.63 -0.62 120.40 120.47 3kqa s VAL 147 Ca -0.01 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.76 3kqa s VAL 147 Cb 0.01 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 3kqa s VAL 147 CO -0.07 0.00 1.21 0.20 -3.33 0.00 0.00 175.10 173.11 3kqa s ASN 148 N 0.98 6.36 0.00 3.54 -0.87 -1.26 -4.49 114.94 119.21 3kqa s ASN 148 Ca -0.05 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.18 3kqa s ASN 148 Cb -0.04 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.63 3kqa s ASN 148 CO -0.12 -1.58 0.00 0.61 -2.57 0.00 0.00 177.10 173.44 3kqa n GLY 149 N 5.15 -0.38 3.81 0.66 0.00 -1.26 -4.94 105.19 108.23 3kqa n GLY 149 Ca 0.07 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 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 4.33 0.91 1.61 0.52 -1.26 -4.76 118.95 120.29 3kqa s ARG 150 Ca 0.00 1.12 -0.12 0.00 -0.52 0.00 0.00 55.73 56.22 3kqa s ARG 150 Cb 0.00 -2.49 0.13 0.00 0.52 0.00 0.00 34.95 33.12 3kqa s ARG 150 CO 0.00 0.14 1.10 -0.51 0.02 0.00 0.00 175.30 176.04 3kqa s LEU 151 N -2.65 2.13 -0.03 2.53 1.43 -1.26 -4.80 118.68 116.03 3kqa s LEU 151 Ca 0.55 1.34 0.05 0.00 -1.03 0.00 0.00 54.13 55.04 3kqa s LEU 151 Cb -0.13 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.35 3kqa s LEU 151 CO 0.18 -2.64 -0.18 -0.54 0.23 0.00 0.00 176.35 173.40 3kqa s LYS 152 N -5.01 1.62 0.60 1.70 1.02 0.93 0.19 119.74 120.80 3kqa s LYS 152 Ca 0.63 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.81 3kqa s LYS 152 Cb -0.17 -1.49 -0.10 0.00 -0.52 0.00 0.00 37.83 35.55 3kqa s LYS 152 CO 0.56 0.33 0.24 0.41 -0.92 0.00 0.00 175.35 175.97 3kqa n GLY 153 N 2.86 -2.25 3.38 -3.33 0.00 0.46 -4.45 105.19 101.86 3kqa n GLY 153 Ca -0.16 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.86 -1.27 -0.44 4.61 0.00 -1.19 -4.87 121.76 116.74 3kqa s ALA 154 Ca 0.63 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 3kqa s ALA 154 Cb -0.43 0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3kqa s ALA 154 CO 0.60 -0.40 0.54 -1.58 0.00 0.00 0.00 175.76 174.93 3kqa s HIS 155 N -1.83 3.11 -0.15 0.00 2.46 -1.26 -1.60 115.29 116.03 3kqa s HIS 155 Ca -0.09 -0.25 -0.01 0.00 0.47 0.00 0.00 55.06 55.19 3kqa s HIS 155 Cb -0.02 -3.15 -0.01 0.00 -0.13 0.00 0.00 32.58 29.27 3kqa s HIS 155 CO 0.03 -0.80 -0.12 0.42 -2.47 0.00 0.00 174.74 171.79 3kqa s ILE 156 N 2.48 3.01 -0.11 0.89 1.01 -0.19 -4.97 121.20 123.32 3kqa s ILE 156 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3kqa s ILE 156 Cb -0.16 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 3kqa s ILE 156 CO 0.16 0.51 -0.12 -0.69 0.00 0.00 0.00 174.94 174.80 3kqa s VAL 157 N 0.61 3.19 -0.02 2.92 1.01 -1.26 -0.23 120.40 126.62 3kqa s VAL 157 Ca -0.07 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3kqa s VAL 157 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3kqa s VAL 157 CO 0.03 0.54 -0.03 -0.04 0.00 0.00 0.00 175.10 175.60 3kqa s MET 158 N 0.04 2.73 -0.13 2.72 -1.94 -0.53 -4.95 119.30 117.24 3kqa s MET 158 Ca -0.04 -0.62 0.17 0.00 -1.71 0.00 0.00 55.69 53.50 3kqa s MET 158 Cb -0.14 -2.62 -0.25 0.00 2.01 0.00 0.00 34.83 33.83 3kqa s MET 158 CO 0.04 0.63 0.19 -0.40 -0.01 0.00 0.00 175.02 175.47 3kqa n ASP 159 N 1.63 0.53 -4.28 3.03 3.85 -1.26 -4.68 116.55 115.37 3kqa n ASP 159 Ca -0.16 0.00 -0.32 0.00 -0.71 0.00 0.00 54.79 53.60 3kqa n ASP 159 Cb 0.53 1.28 -0.16 0.00 -1.35 0.00 0.00 41.12 41.41 3kqa n ASP 159 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3kqa s LYS 160 N -2.76 3.19 0.01 0.11 1.02 -1.26 -5.08 119.74 114.98 3kqa s LYS 160 Ca -0.08 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 3kqa s LYS 160 Cb 0.08 -2.46 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 3kqa s LYS 160 CO 0.77 0.17 1.46 0.08 -0.92 0.00 0.00 175.35 176.91 3kqa s VAL 161 N 0.41 3.57 -0.17 3.17 1.01 -1.26 -4.98 120.40 122.15 3kqa s VAL 161 Ca -0.14 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 3kqa s VAL 161 Cb -0.17 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3kqa s VAL 161 CO 0.06 -0.01 -0.04 -0.55 0.00 0.00 0.00 175.10 174.57 3kqa s SER 162 N 2.04 2.82 0.16 3.32 0.15 -1.26 -5.00 113.70 115.92 3kqa s SER 162 Ca 0.66 -0.67 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 3kqa s SER 162 Cb -0.33 -0.87 0.04 0.00 -1.71 0.00 0.00 66.02 63.14 3kqa s SER 162 CO 0.28 -0.20 1.73 0.58 1.20 0.00 0.00 173.24 176.83 3kqa h VAL 163 N 6.40 1.20 0.07 4.45 2.07 -1.97 -1.61 116.25 126.86 3kqa h VAL 163 Ca -0.23 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3kqa h VAL 163 Cb 1.11 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3kqa h VAL 163 CO 0.39 0.23 -0.03 1.23 0.02 0.00 0.00 177.57 179.40 3kqa h GLY 164 N 0.66 -0.10 1.41 2.17 0.00 -2.00 -2.73 103.07 102.49 3kqa h GLY 164 Ca 0.17 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 3kqa h GLY 164 CO -0.02 -0.04 -0.22 0.00 0.00 0.00 0.00 176.54 176.27 3kqa h ALA 165 N 0.71 0.96 -0.73 3.60 0.00 -1.90 -2.59 119.26 119.31 3kqa h ALA 165 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.59 3kqa h ALA 165 Cb 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3kqa h ALA 165 CO 0.02 0.60 0.43 1.15 0.00 0.00 0.00 179.25 181.46 3kqa h THR 166 N 0.60 1.03 -0.03 0.00 2.02 -1.23 -0.87 112.91 114.43 3kqa h THR 166 Ca 0.09 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3kqa h THR 166 Cb 0.69 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3kqa h THR 166 CO 0.05 0.15 0.01 0.58 0.37 0.00 0.00 175.52 176.68 3kqa h VAL 167 N 0.82 1.15 -0.30 3.16 2.07 -1.26 -1.21 116.25 120.67 3kqa h VAL 167 Ca 0.31 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3kqa h VAL 167 Cb 0.12 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3kqa h VAL 167 CO -0.15 0.12 0.06 0.74 0.02 0.00 0.00 177.57 178.36 3kqa h THR 168 N -0.14 0.86 -0.24 2.57 2.02 -1.22 0.57 112.91 117.33 3kqa h THR 168 Ca 0.01 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3kqa h THR 168 Cb 0.19 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3kqa h THR 168 CO -0.00 0.03 -0.04 0.40 0.37 0.00 0.00 175.52 176.28 3kqa h ILE 169 N 0.17 1.28 -0.51 3.11 2.04 -1.13 -1.16 117.51 121.32 3kqa h ILE 169 Ca 0.14 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3kqa h ILE 169 Cb 0.15 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3kqa h ILE 169 CO -0.18 0.31 0.21 -0.03 0.00 0.00 0.00 178.15 178.47 3kqa h MET 170 N 0.19 0.76 0.05 2.37 4.05 -1.12 0.17 114.93 121.40 3kqa h MET 170 Ca 0.06 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 3kqa h MET 170 Cb 0.49 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 3kqa h MET 170 CO 0.02 0.66 -0.02 0.77 0.23 0.00 0.00 176.91 178.57 3kqa h SER 171 N 0.68 -0.06 -0.64 1.39 0.02 -0.87 -2.88 113.55 111.20 3kqa h SER 171 Ca 0.17 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3kqa h SER 171 Cb 0.18 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3kqa h SER 171 CO -0.02 0.18 0.20 0.00 -1.14 0.00 0.00 176.83 176.06 3kqa h ALA 172 N 0.65 1.11 0.00 3.77 0.00 -1.16 -2.93 119.26 120.69 3kqa h ALA 172 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kqa h ALA 172 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kqa h ALA 172 CO 0.01 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3kqa h ALA 173 N 1.24 1.00 0.00 0.00 0.00 -0.53 -2.96 119.26 118.01 3kqa h ALA 173 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kqa h ALA 173 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kqa h ALA 173 CO -0.01 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.03 3kqa h THR 174 N 0.00 0.00 -0.36 0.00 1.35 -1.31 -2.22 112.91 110.36 3kqa h THR 174 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3kqa h THR 174 Cb 0.21 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3kqa h THR 174 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3kqa n LEU 175 N -3.09 2.96 -4.87 3.87 4.77 -1.12 -1.42 117.00 118.10 3kqa n LEU 175 Ca 0.00 -2.00 -0.30 0.00 -0.03 0.00 0.00 56.01 53.68 3kqa n LEU 175 Cb 0.27 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3kqa n LEU 175 CO 0.26 0.74 0.74 0.00 -1.33 0.00 0.00 177.39 177.80 3kqa s ALA 176 N -1.00 2.87 -0.29 -1.18 0.00 -0.84 -4.46 121.76 116.85 3kqa s ALA 176 Ca 0.24 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 3kqa s ALA 176 Cb 0.12 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 3kqa s ALA 176 CO 0.16 -1.11 0.36 -2.00 0.00 0.00 0.00 175.76 173.18 3kqa s GLU 177 N -5.29 3.87 0.00 0.00 2.12 0.13 -3.76 118.70 115.77 3kqa s GLU 177 Ca 0.58 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.78 3kqa s GLU 177 Cb -0.11 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.57 3kqa s GLU 177 CO 0.53 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 3kqa n GLY 178 N 4.80 -0.41 3.29 -1.50 0.00 -1.26 -0.41 105.19 109.70 3kqa n GLY 178 Ca -0.09 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 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 2.22 -0.07 2.61 2.01 -1.26 -0.55 115.64 120.59 3kqa s THR 179 Ca 0.00 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.02 3kqa s THR 179 Cb 0.00 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 3kqa s THR 179 CO 0.00 0.57 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.48 3kqa s THR 180 N -0.12 3.17 -0.10 -0.82 2.01 0.11 -3.14 115.64 116.76 3kqa s THR 180 Ca -0.04 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.32 3kqa s THR 180 Cb -0.14 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.10 3kqa s THR 180 CO 0.04 0.57 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.74 3kqa s ILE 181 N -0.45 1.62 -0.36 1.82 1.01 -0.63 0.34 121.20 124.56 3kqa s ILE 181 Ca 0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 3kqa s ILE 181 Cb -0.12 -1.44 0.04 0.00 0.01 0.00 0.00 42.46 40.95 3kqa s ILE 181 CO 0.02 0.46 0.15 -0.63 0.00 0.00 0.00 174.94 174.95 3kqa s ILE 182 N 0.66 4.10 -0.03 2.92 1.01 0.76 -1.02 121.20 129.60 3kqa s ILE 182 Ca -0.13 -1.06 -0.21 0.00 0.00 0.00 0.00 60.65 59.25 3kqa s ILE 182 Cb -0.16 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3kqa s ILE 182 CO 0.03 -0.23 0.59 -1.61 0.00 0.00 0.00 174.94 173.73 3kqa s GLU 183 N 1.46 4.34 -0.85 2.79 0.41 0.69 -2.15 118.70 125.37 3kqa s GLU 183 Ca -0.00 0.71 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 3kqa s GLU 183 Cb -0.20 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 3kqa s GLU 183 CO 0.04 0.29 0.00 -1.71 -0.49 0.00 0.00 175.26 173.39 3kqa n ASN 184 N 3.05 -3.36 -4.69 -0.19 4.05 0.17 -1.46 115.26 112.83 3kqa n ASN 184 Ca -0.06 -0.01 -0.32 0.00 0.45 0.00 0.00 54.58 54.64 3kqa n ASN 184 Cb 0.51 -2.61 0.14 0.00 1.23 0.00 0.00 39.78 39.05 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 -2.50 1.70 0.49 5.20 0.00 -0.59 -4.65 121.76 121.40 3kqa s ALA 185 Ca 0.00 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 52.38 3kqa s ALA 185 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3kqa s ALA 185 CO 0.00 -2.47 1.27 0.00 0.00 0.00 0.00 175.76 174.56 3kqa s ALA 186 N -2.49 2.96 -0.26 0.00 0.00 -1.26 -4.62 121.76 116.09 3kqa s ALA 186 Ca 0.68 1.16 0.10 0.00 0.00 0.00 0.00 51.96 53.90 3kqa s ALA 186 Cb -0.24 -3.48 0.24 0.00 0.00 0.00 0.00 23.12 19.63 3kqa s ALA 186 CO 0.55 -0.99 1.17 0.54 0.00 0.00 0.00 175.76 177.03 3kqa n ARG 187 N -0.61 2.49 -2.07 0.00 1.74 -1.26 -4.61 116.66 112.34 3kqa n ARG 187 Ca 0.08 -2.14 -0.36 0.00 -0.77 0.00 0.00 57.85 54.65 3kqa n ARG 187 Cb 0.46 -1.34 0.02 0.00 -1.02 0.00 0.00 32.46 30.58 3kqa n ARG 187 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kqa s GLU 188 N -1.83 3.18 0.47 5.56 8.01 -1.26 -4.74 118.70 128.08 3kqa s GLU 188 Ca 0.21 1.83 0.23 0.00 0.01 0.00 0.00 54.97 57.25 3kqa s GLU 188 Cb 0.16 -2.05 1.25 0.00 -4.31 0.00 0.00 34.13 29.18 3kqa s GLU 188 CO 0.06 -1.04 1.87 -1.35 0.01 0.00 0.00 175.26 174.81 3kqa h PRO 189 N 1.19 0.23 -0.30 0.39 0.11 -1.97 0.16 132.00 131.81 3kqa h PRO 189 Ca -0.50 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 3kqa h PRO 189 Cb 1.28 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3kqa h PRO 189 CO 0.56 0.15 -0.15 0.93 -0.21 0.00 0.00 178.00 179.28 3kqa h GLU 190 N 0.23 0.52 -0.08 1.05 3.07 -1.90 0.84 114.58 118.31 3kqa h GLU 190 Ca 0.45 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 3kqa h GLU 190 Cb 1.38 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.24 3kqa h GLU 190 CO -0.11 0.66 0.01 0.82 -1.40 0.00 0.00 179.01 178.99 3kqa h ILE 191 N 0.47 1.23 -0.50 3.13 1.08 -1.04 -1.13 117.51 120.76 3kqa h ILE 191 Ca 0.08 -0.73 0.05 0.00 -0.39 0.00 0.00 64.86 63.87 3kqa h ILE 191 Cb 0.54 1.56 -0.05 0.00 -3.07 0.00 0.00 36.82 35.81 3kqa h ILE 191 CO 0.03 0.21 0.24 0.58 -0.69 0.00 0.00 178.15 178.52 3kqa h VAL 192 N -0.12 0.93 -0.37 1.67 2.07 -1.09 -0.06 116.25 119.28 3kqa h VAL 192 Ca 0.02 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3kqa h VAL 192 Cb 0.32 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3kqa h VAL 192 CO 0.00 0.08 0.01 -0.78 0.02 0.00 0.00 177.57 176.91 3kqa h ASP 193 N 0.46 0.55 -0.11 0.57 3.58 -0.69 0.99 116.42 121.77 3kqa h ASP 193 Ca 0.23 -0.11 -0.19 0.00 0.42 0.00 0.00 57.03 57.38 3kqa h ASP 193 Cb 0.16 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.07 3kqa h ASP 193 CO -0.17 0.61 -0.65 0.74 -2.88 0.00 0.00 179.24 176.89 3kqa h THR 194 N 0.56 1.30 0.04 2.25 2.02 -0.55 -1.30 112.91 117.23 3kqa h THR 194 Ca 0.12 -1.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 3kqa h THR 194 Cb 0.34 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3kqa h THR 194 CO 0.01 0.60 -0.02 0.00 0.37 0.00 0.00 175.52 176.48 3kqa h ALA 195 N 0.73 -0.06 -0.45 6.16 0.00 -0.68 -2.16 119.26 122.82 3kqa h ALA 195 Ca -0.02 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kqa h ALA 195 Cb 1.25 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3kqa h ALA 195 CO 0.13 -0.46 0.30 -0.91 0.00 0.00 0.00 179.25 178.31 3kqa h ASN 196 N -0.20 0.36 -0.11 0.00 2.35 -0.75 -1.21 115.58 116.02 3kqa h ASN 196 Ca -0.01 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3kqa h ASN 196 Cb 0.18 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3kqa h ASN 196 CO 0.01 0.25 0.04 0.15 -1.65 0.00 0.00 177.43 176.22 3kqa h PHE 197 N 0.42 0.17 -0.09 1.19 3.57 -0.79 -0.77 116.94 120.64 3kqa h PHE 197 Ca 0.19 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3kqa h PHE 197 Cb 0.22 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3kqa h PHE 197 CO -0.00 0.29 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.27 3kqa h LEU 198 N -0.00 -0.11 -0.97 0.59 3.38 -0.77 -0.88 115.31 116.54 3kqa h LEU 198 Ca 0.04 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.24 3kqa h LEU 198 Cb 0.20 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.91 3kqa h LEU 198 CO -0.00 -0.04 0.56 0.58 0.09 0.00 0.00 178.44 179.62 3kqa h VAL 199 N -0.02 0.62 0.00 1.22 2.07 -1.12 0.58 116.25 119.61 3kqa h VAL 199 Ca 0.05 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3kqa h VAL 199 Cb 0.09 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3kqa h VAL 199 CO -0.11 0.12 -0.11 0.00 0.02 0.00 0.00 177.57 177.49 3kqa h ALA 200 N 1.67 1.18 0.00 1.67 0.00 0.27 -1.77 119.26 122.28 3kqa h ALA 200 Ca 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3kqa h ALA 200 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3kqa h ALA 200 CO -0.43 0.13 -0.44 1.28 0.00 0.00 0.00 179.25 179.80 3kqa n LEU 201 N -3.48 0.48 0.00 0.00 4.77 0.19 -4.90 117.00 114.06 3kqa n LEU 201 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3kqa n LEU 201 Cb 0.26 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3kqa n LEU 201 CO 0.29 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3kqa n GLY 202 N 1.45 0.67 3.74 -0.72 0.00 -0.66 -1.45 105.19 108.22 3kqa n GLY 202 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.65 1.78 -0.31 4.61 0.00 -0.59 -4.94 121.76 120.65 3kqa s ALA 203 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3kqa s ALA 203 Cb 0.00 -3.20 0.09 0.00 0.00 0.00 0.00 23.12 20.01 3kqa s ALA 203 CO 0.00 -2.15 0.02 0.15 0.00 0.00 0.00 175.76 173.77 3kqa s LYS 204 N -4.95 1.51 0.01 0.00 1.02 -1.26 -4.28 119.74 111.79 3kqa s LYS 204 Ca 0.63 -1.58 0.03 0.00 0.02 0.00 0.00 55.97 55.07 3kqa s LYS 204 Cb -0.17 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.21 3kqa s LYS 204 CO 0.56 -0.85 -0.10 0.42 -0.92 0.00 0.00 175.35 174.46 3kqa s ILE 205 N 1.09 0.80 -0.01 2.17 1.01 -1.26 -1.31 121.20 123.68 3kqa s ILE 205 Ca 0.06 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 3kqa s ILE 205 Cb -0.19 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.57 3kqa s ILE 205 CO -0.10 0.06 0.19 -0.94 0.00 0.00 0.00 174.94 174.15 3kqa s SER 206 N -0.67 -0.05 0.00 3.58 1.04 -0.58 -4.88 113.70 112.13 3kqa s SER 206 Ca 0.01 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3kqa s SER 206 Cb -0.06 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3kqa s SER 206 CO 0.00 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3kqa n GLY 207 N 1.56 0.68 3.64 7.32 0.00 -1.26 -0.55 105.19 116.58 3kqa n GLY 207 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.66 3.81 0.00 1.61 0.00 -1.26 -0.49 119.66 122.67 3kqa s GLN 208 Ca 0.00 2.37 0.00 0.00 -0.00 0.00 0.00 55.36 57.73 3kqa s GLN 208 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 33.01 28.79 3kqa s GLN 208 CO 0.00 -1.32 0.00 0.41 0.00 0.00 0.00 175.29 174.38 3kqa n GLY 209 N 4.91 1.83 3.92 2.60 0.00 -1.26 -4.83 105.19 112.36 3kqa n GLY 209 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.65 2.80 -2.00 2.61 -4.23 0.36 -4.79 115.64 108.74 3kqa s THR 210 Ca 0.00 -1.24 0.11 0.00 -1.18 0.00 0.00 61.69 59.38 3kqa s THR 210 Cb 0.00 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 71.13 3kqa s THR 210 CO 0.00 -0.01 1.06 -0.90 -0.54 0.00 0.00 174.62 174.24 3kqa n ASP 211 N -1.63 0.00 -3.69 3.99 3.85 -1.26 -4.55 116.55 113.25 3kqa n ASP 211 Ca 0.05 -0.41 -0.18 0.00 -0.71 0.00 0.00 54.79 53.54 3kqa n ASP 211 Cb 0.61 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.21 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 -2.00 -0.04 -0.09 0.11 3.52 -1.26 0.46 118.95 119.65 3kqa s ARG 212 Ca 0.16 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 56.15 3kqa s ARG 212 Cb 0.07 -0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.05 3kqa s ARG 212 CO 0.12 -0.28 -0.13 0.42 -0.81 0.00 0.00 175.30 174.62 3kqa s ILE 213 N 1.92 3.16 -0.12 4.11 1.01 -0.92 -4.37 121.20 125.99 3kqa s ILE 213 Ca 0.01 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3kqa s ILE 213 Cb -0.12 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 3kqa s ILE 213 CO -0.04 0.56 -0.19 -0.89 0.00 0.00 0.00 174.94 174.38 3kqa s THR 214 N -0.19 2.50 -0.09 2.92 2.01 0.29 -0.17 115.64 122.91 3kqa s THR 214 Ca 0.00 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.18 3kqa s THR 214 Cb -0.13 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.38 3kqa s THR 214 CO 0.03 0.54 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.68 3kqa s ILE 215 N 0.37 1.69 -0.25 1.82 1.09 0.15 -1.53 121.20 124.54 3kqa s ILE 215 Ca -0.15 -0.80 -0.07 0.00 -1.10 0.00 0.00 60.65 58.53 3kqa s ILE 215 Cb -0.17 -1.49 -0.02 0.00 -1.06 0.00 0.00 42.46 39.72 3kqa s ILE 215 CO 0.07 0.48 0.07 -0.70 -0.10 0.00 0.00 174.94 174.76 3kqa s GLU 216 N 0.54 3.60 0.62 2.79 2.12 -0.43 0.06 118.70 128.00 3kqa s GLU 216 Ca -0.16 -0.51 -0.18 0.00 0.36 0.00 0.00 54.97 54.48 3kqa s GLU 216 Cb -0.17 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 3kqa s GLU 216 CO 0.06 -0.22 1.17 0.20 -0.54 0.00 0.00 175.26 175.93 3kqa s GLY 217 N 1.61 2.54 0.36 -1.50 0.00 0.29 -4.01 107.32 106.60 3kqa s GLY 217 Ca 0.06 0.87 0.04 0.00 0.00 0.00 0.00 44.72 45.68 3kqa s GLY 217 CO 0.04 1.25 0.08 -1.34 0.00 0.00 0.00 173.10 173.12 3kqa s VAL 218 N -1.83 1.00 0.02 1.40 -7.23 -0.51 -4.70 120.40 108.54 3kqa s VAL 218 Ca 0.74 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.72 3kqa s VAL 218 Cb -0.27 -2.63 -0.21 0.00 0.56 0.00 0.00 36.38 33.83 3kqa s VAL 218 CO 0.36 0.00 1.15 -0.33 -0.31 0.00 0.00 175.10 175.97 3kqa h GLU 219 N 2.00 0.43 -1.93 4.82 5.08 -1.89 -3.40 114.58 119.68 3kqa h GLU 219 Ca -0.39 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 57.53 3kqa h GLU 219 Cb 1.26 0.10 -0.20 0.00 0.50 0.00 0.00 28.75 30.41 3kqa h GLU 219 CO 0.66 1.05 0.25 -0.98 -1.00 0.00 0.00 179.01 178.99 3kqa s ARG 220 N -3.42 0.98 0.19 2.33 1.70 -1.26 -4.99 118.95 114.48 3kqa s ARG 220 Ca -0.13 0.25 0.01 0.00 -0.47 0.00 0.00 55.73 55.39 3kqa s ARG 220 Cb 0.04 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 3kqa s ARG 220 CO 0.81 -0.31 0.36 -0.51 -1.08 0.00 0.00 175.30 174.57 3kqa s LEU 221 N -1.16 4.27 0.00 -1.89 1.43 -1.26 -4.97 118.68 115.09 3kqa s LEU 221 Ca -0.09 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 3kqa s LEU 221 Cb -0.00 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.17 3kqa s LEU 221 CO 0.09 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.25 3kqa n GLY 222 N -0.74 3.63 0.00 -3.19 0.00 -0.53 -1.96 105.19 102.40 3kqa n GLY 222 Ca -0.06 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 1.86 0.00 -0.02 0.00 -1.23 -4.06 105.19 106.74 3kqa n GLY 223 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 5.00 0.74 2.98 -0.02 0.00 0.51 -4.69 105.19 109.71 3kqa n GLY 224 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.35 0.79 -0.09 1.61 1.01 -1.26 0.14 120.40 120.26 3kqa s VAL 225 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 3kqa s VAL 225 Cb 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.67 3kqa s VAL 225 CO 0.00 0.27 0.22 -0.47 0.00 0.00 0.00 175.10 175.12 3kqa s TYR 226 N 0.51 -0.26 -0.25 5.22 5.04 0.31 -4.96 117.35 122.96 3kqa s TYR 226 Ca -0.08 0.63 -0.09 0.00 -2.44 0.00 0.00 57.07 55.09 3kqa s TYR 226 Cb -0.12 0.07 -0.04 0.00 0.35 0.00 0.00 41.96 42.22 3kqa s TYR 226 CO 0.01 -0.15 0.12 0.50 -1.34 0.00 0.00 175.55 174.69 3kqa s ARG 227 N 0.46 3.82 0.27 4.97 3.52 -1.26 -0.45 118.95 130.27 3kqa s ARG 227 Ca -0.03 -0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 54.88 3kqa s ARG 227 Cb -0.04 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.79 3kqa s ARG 227 CO -0.02 -0.12 1.45 0.08 -0.81 0.00 0.00 175.30 175.87 3kqa s VAL 228 N 1.51 2.57 0.75 7.11 1.01 0.20 -4.94 120.40 128.61 3kqa s VAL 228 Ca 0.06 0.49 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 3kqa s VAL 228 Cb -0.15 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 32.97 3kqa s VAL 228 CO 0.06 0.08 1.15 -1.48 0.00 0.00 0.00 175.10 174.91 3kqa s LEU 229 N -0.56 3.21 0.73 3.92 2.34 -1.26 -4.77 118.68 122.29 3kqa s LEU 229 Ca 0.59 2.13 -0.15 0.00 0.06 0.00 0.00 54.13 56.76 3kqa s LEU 229 Cb -0.43 -4.56 0.04 0.00 -0.56 0.00 0.00 46.19 40.68 3kqa s LEU 229 CO 0.45 -2.18 1.20 -2.84 -1.06 0.00 0.00 176.35 171.92 3kqa s PRO 230 N -4.26 2.18 -0.68 1.48 0.02 -1.26 -1.69 135.00 130.80 3kqa s PRO 230 Ca 0.69 1.74 -0.27 0.00 0.02 0.00 0.00 61.00 63.17 3kqa s PRO 230 Cb -0.23 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.47 3kqa s PRO 230 CO 0.48 -1.80 1.26 0.34 -0.33 0.00 0.00 177.00 176.96 3kqa s ASP 231 N -2.06 6.24 0.43 2.53 -1.08 -0.57 -4.33 116.67 117.82 3kqa s ASP 231 Ca 0.74 -0.23 0.11 0.00 -0.52 0.00 0.00 52.55 52.65 3kqa s ASP 231 Cb -0.29 -2.56 0.93 0.00 -1.46 0.00 0.00 42.92 39.55 3kqa s ASP 231 CO 0.45 -1.73 2.00 0.08 0.52 0.00 0.00 175.17 176.49 3kqa h ARG 232 N 9.98 0.19 -0.05 4.34 0.11 -1.92 -0.76 114.38 126.28 3kqa h ARG 232 Ca -0.27 -0.03 -0.15 0.00 0.10 0.00 0.00 59.98 59.63 3kqa h ARG 232 Cb 1.05 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 32.11 3kqa h ARG 232 CO 1.25 0.26 -0.55 0.82 0.10 0.00 0.00 179.97 181.85 3kqa h ILE 233 N 0.19 1.40 -0.74 0.08 1.08 -1.96 0.24 117.51 117.80 3kqa h ILE 233 Ca 0.04 -1.95 0.03 0.00 -0.39 0.00 0.00 64.86 62.59 3kqa h ILE 233 Cb 0.22 2.41 -0.04 0.00 -3.07 0.00 0.00 36.82 36.33 3kqa h ILE 233 CO 0.01 0.58 0.47 -0.08 -0.69 0.00 0.00 178.15 178.43 3kqa h GLU 234 N -0.00 0.89 0.31 2.37 4.81 -1.91 0.32 114.58 121.36 3kqa h GLU 234 Ca -0.06 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3kqa h GLU 234 Cb 1.23 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3kqa h GLU 234 CO 0.11 0.59 -0.15 1.15 -0.73 0.00 0.00 179.01 179.98 3kqa h THR 235 N 0.91 0.69 -0.96 0.32 2.02 -1.04 -1.79 112.91 113.07 3kqa h THR 235 Ca 0.29 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.63 3kqa h THR 235 Cb 0.01 0.69 -0.08 0.00 -1.74 0.00 0.00 68.15 67.03 3kqa h THR 235 CO -0.11 0.00 0.61 1.23 0.37 0.00 0.00 175.52 177.62 3kqa h GLY 236 N -0.42 1.46 0.92 2.16 0.00 0.28 -1.93 103.07 105.53 3kqa h GLY 236 Ca -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3kqa h GLY 236 CO 0.07 0.06 0.12 -0.84 0.00 0.00 0.00 176.54 175.94 3kqa h THR 237 N 0.77 1.17 0.00 4.70 2.02 0.39 -2.18 112.91 119.78 3kqa h THR 237 Ca 0.50 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3kqa h THR 237 Cb 0.75 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3kqa h THR 237 CO -0.27 0.18 -0.33 -0.26 0.37 0.00 0.00 175.52 175.21 3kqa h PHE 238 N 0.31 0.00 -0.67 3.16 -1.00 -0.97 -1.62 116.94 116.14 3kqa h PHE 238 Ca 0.09 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.79 3kqa h PHE 238 Cb 0.17 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 3kqa h PHE 238 CO -0.01 0.33 0.09 -0.07 -1.61 0.00 0.00 178.31 177.04 3kqa h LEU 239 N 0.00 1.08 -0.51 1.54 3.38 -1.09 -2.64 115.31 117.07 3kqa h LEU 239 Ca -0.00 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 3kqa h LEU 239 Cb 0.91 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3kqa h LEU 239 CO 0.04 1.07 -0.16 0.58 0.09 0.00 0.00 178.44 180.07 3kqa h VAL 240 N 1.04 1.27 -0.60 1.22 2.07 -1.09 -1.50 116.25 118.66 3kqa h VAL 240 Ca 0.20 -1.32 0.12 0.00 0.82 0.00 0.00 66.70 66.52 3kqa h VAL 240 Cb 0.47 1.06 -0.10 0.00 -1.52 0.00 0.00 31.29 31.20 3kqa h VAL 240 CO 0.02 0.46 0.02 0.00 0.02 0.00 0.00 177.57 178.08 3kqa h ALA 241 N 0.89 0.61 -0.00 1.67 0.00 -0.96 0.74 119.26 122.20 3kqa h ALA 241 Ca 0.12 0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.95 3kqa h ALA 241 Cb 0.74 0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.85 3kqa h ALA 241 CO 0.06 -0.38 -1.02 0.00 0.00 0.00 0.00 179.25 177.91 3kqa h ALA 242 N 1.54 0.13 0.00 0.00 0.00 -1.34 -3.06 119.26 116.52 3kqa h ALA 242 Ca 0.31 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3kqa h ALA 242 Cb 0.50 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kqa h ALA 242 CO -0.50 0.67 -0.04 0.00 0.00 0.00 0.00 179.25 179.38 3kqa h ALA 243 N 0.40 1.20 0.00 0.00 0.00 -0.36 -0.11 119.26 120.40 3kqa h ALA 243 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kqa h ALA 243 Cb 1.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3kqa h ALA 243 CO 0.20 0.05 -1.13 0.44 0.00 0.00 0.00 179.25 178.81 3kqa n ILE 244 N -3.43 0.04 0.16 0.00 -5.35 0.17 -4.14 119.36 106.81 3kqa n ILE 244 Ca -0.02 -0.14 0.08 0.00 -0.27 0.00 0.00 62.75 62.39 3kqa n ILE 244 Cb 0.16 0.58 0.14 0.00 -1.74 0.00 0.00 39.64 38.78 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 -1.74 2.80 -1.40 7.28 3.41 -0.83 -4.91 113.62 118.23 3kqa n SER 245 Ca 0.02 -1.83 -0.13 0.00 -0.26 0.00 0.00 58.87 56.68 3kqa n SER 245 Cb 0.40 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.87 0.04 0.00 5.00 0.00 -0.92 -4.52 105.19 105.66 3kqa n GLY 246 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.07 1.33 3.09 -0.02 0.00 -0.11 -3.58 105.19 104.83 3kqa n GLY 247 Ca -0.15 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 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 0.05 0.24 0.01 1.61 2.20 -1.24 -1.25 119.74 121.36 3kqa s LYS 248 Ca 0.00 0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 56.04 3kqa s LYS 248 Cb 0.00 -0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 3kqa s LYS 248 CO 0.00 -0.14 0.16 -1.50 -0.36 0.00 0.00 175.35 173.51 3kqa s ILE 249 N 1.03 0.09 -0.15 5.43 2.07 0.13 -1.63 121.20 128.18 3kqa s ILE 249 Ca -0.07 -0.72 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 3kqa s ILE 249 Cb -0.08 -0.53 0.01 0.00 0.13 0.00 0.00 42.46 41.99 3kqa s ILE 249 CO -0.07 -0.39 -0.19 -0.69 -1.91 0.00 0.00 174.94 171.69 3kqa s VAL 250 N -1.57 1.89 -0.34 4.00 1.01 -0.90 0.08 120.40 124.57 3kqa s VAL 250 Ca -0.13 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 3kqa s VAL 250 Cb -0.06 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 3kqa s VAL 250 CO 0.01 0.52 0.22 0.00 0.00 0.00 0.00 175.10 175.84 3kqa s ARG 252 N 1.67 3.57 -1.47 0.00 1.81 0.61 -2.58 118.95 122.56 3kqa s ARG 252 Ca 0.05 0.42 -0.07 0.00 -1.72 0.00 0.00 55.73 54.41 3kqa s ARG 252 Cb -0.18 -2.26 0.02 0.00 -0.45 0.00 0.00 34.95 32.09 3kqa s ARG 252 CO 0.09 -0.34 0.80 0.09 -0.68 0.00 0.00 175.30 175.25 3kqa n ASN 253 N -2.43 -5.81 -5.01 0.23 3.02 -0.79 -1.45 115.26 103.02 3kqa n ASN 253 Ca 0.03 -0.42 -0.21 0.00 -0.03 0.00 0.00 54.58 53.95 3kqa n ASN 253 Cb 0.55 -4.66 0.04 0.00 -0.61 0.00 0.00 39.78 35.10 3kqa n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqa s ALA 254 N -3.20 4.63 -0.34 5.41 0.00 -0.13 -4.56 121.76 123.57 3kqa s ALA 254 Ca 0.43 -1.95 0.02 0.00 0.00 0.00 0.00 51.96 50.46 3kqa s ALA 254 Cb -0.20 -1.33 0.15 0.00 0.00 0.00 0.00 23.12 21.74 3kqa s ALA 254 CO 0.53 -0.72 0.35 -1.14 0.00 0.00 0.00 175.76 174.78 3kqa s GLN 255 N -4.56 0.52 0.55 0.00 0.74 -1.26 -3.94 119.66 111.72 3kqa s GLN 255 Ca 0.56 -0.57 0.23 0.00 0.05 0.00 0.00 55.36 55.64 3kqa s GLN 255 Cb -0.05 -0.68 1.51 0.00 1.10 0.00 0.00 33.01 34.88 3kqa s GLN 255 CO 0.35 -1.13 2.14 -1.35 -0.55 0.00 0.00 175.29 174.75 3kqa h PRO 256 N 7.53 0.00 0.00 1.67 0.11 -1.85 -2.83 132.00 136.62 3kqa h PRO 256 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3kqa h PRO 256 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kqa h PRO 256 CO 0.25 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.64 3kqa n ASP 257 N -4.19 0.08 -0.90 -2.05 3.85 -1.26 -1.42 116.55 110.66 3kqa n ASP 257 Ca -0.00 0.53 0.12 0.00 -0.71 0.00 0.00 54.79 54.73 3kqa n ASP 257 Cb 0.22 -0.54 0.24 0.00 -1.35 0.00 0.00 41.12 39.68 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 -1.60 0.20 -1.56 2.12 -2.24 -1.07 -4.36 114.28 105.78 3kqa n THR 258 Ca 0.02 -0.53 0.05 0.00 -2.27 0.00 0.00 64.05 61.33 3kqa n THR 258 Cb 0.11 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 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 1.08 1.23 -0.41 3.22 4.77 -0.51 -4.92 117.00 121.47 3kqa n LEU 259 Ca 0.17 -2.11 -0.08 0.00 -0.03 0.00 0.00 56.01 53.96 3kqa n LEU 259 Cb 0.53 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3kqa n LEU 259 CO 0.15 0.51 0.50 0.47 -1.33 0.00 0.00 177.39 177.69 3kqa n ASP 260 N -0.71 -0.94 -0.06 -1.43 8.00 -1.23 -1.14 116.55 119.05 3kqa n ASP 260 Ca 0.08 1.75 -0.01 0.00 0.71 0.00 0.00 54.79 57.32 3kqa n ASP 260 Cb 0.68 -0.27 0.25 0.00 -0.02 0.00 0.00 41.12 41.76 3kqa n ASP 260 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kqa h ALA 261 N 0.73 1.30 -0.39 2.24 0.00 -1.90 -0.75 119.26 120.50 3kqa h ALA 261 Ca 0.21 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3kqa h ALA 261 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kqa h ALA 261 CO -0.94 0.48 -0.07 0.28 0.00 0.00 0.00 179.25 179.00 3kqa h VAL 262 N 0.63 1.27 -0.45 0.00 2.07 -1.49 -1.88 116.25 116.40 3kqa h VAL 262 Ca 0.14 -1.13 -0.14 0.00 0.82 0.00 0.00 66.70 66.40 3kqa h VAL 262 Cb 0.31 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3kqa h VAL 262 CO 0.00 0.38 -0.25 -0.07 0.02 0.00 0.00 177.57 177.65 3kqa h LEU 263 N 0.54 0.99 -0.86 2.57 3.38 -0.78 0.25 115.31 121.40 3kqa h LEU 263 Ca 0.10 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3kqa h LEU 263 Cb 0.57 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3kqa h LEU 263 CO 0.03 1.19 0.54 0.00 0.09 0.00 0.00 178.44 180.29 3kqa h ALA 264 N 0.83 1.10 -0.45 1.53 0.00 -1.14 0.13 119.26 121.27 3kqa h ALA 264 Ca 0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3kqa h ALA 264 Cb 0.83 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kqa h ALA 264 CO 0.07 0.54 -0.26 -0.22 0.00 0.00 0.00 179.25 179.38 3kqa h LYS 265 N 1.18 0.95 -0.17 0.00 1.63 -1.10 -1.15 116.57 117.91 3kqa h LYS 265 Ca 0.31 -0.43 -0.11 0.00 -0.85 0.00 0.00 60.65 59.57 3kqa h LYS 265 Cb -0.08 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 3kqa h LYS 265 CO -0.06 1.09 -0.38 -0.07 -3.45 0.00 0.00 179.45 176.59 3kqa h LEU 266 N 0.81 0.38 -0.00 5.20 3.38 -0.29 -1.67 115.31 123.12 3kqa h LEU 266 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kqa h LEU 266 Cb 0.84 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3kqa h LEU 266 CO 0.07 0.73 0.00 0.03 0.09 0.00 0.00 178.44 179.36 3kqa h ARG 267 N 0.31 0.00 -0.14 1.13 3.08 -0.56 -0.98 114.38 117.22 3kqa h ARG 267 Ca 0.03 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.12 3kqa h ARG 267 Cb 0.80 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3kqa h ARG 267 CO 0.06 0.12 0.29 1.49 -1.07 0.00 0.00 179.97 180.87 3kqa h GLU 268 N -0.11 0.00 -0.30 0.04 4.81 -0.80 0.61 114.58 118.83 3kqa h GLU 268 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kqa h GLU 268 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kqa h GLU 268 CO -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 3kqa n ALA 269 N -2.12 2.47 -0.18 2.92 0.00 -0.54 -4.82 120.51 118.24 3kqa n ALA 269 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3kqa n ALA 269 Cb 0.39 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.20 0.85 3.80 0.00 0.00 0.21 -0.25 105.19 110.99 3kqa n GLY 270 Ca 0.16 0.00 -0.37 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 -2.07 3.38 -0.42 4.61 0.00 -0.48 -4.87 121.76 121.90 3kqa s ALA 271 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.07 3kqa s ALA 271 Cb 0.00 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.21 3kqa s ALA 271 CO 0.00 0.29 0.48 0.34 0.00 0.00 0.00 175.76 176.86 3kqa s ASP 272 N -1.52 6.22 -0.10 0.00 2.15 -0.54 -4.31 116.67 118.58 3kqa s ASP 272 Ca 0.43 -0.57 0.03 0.00 0.43 0.00 0.00 52.55 52.87 3kqa s ASP 272 Cb -0.19 -2.24 -0.01 0.00 -0.30 0.00 0.00 42.92 40.18 3kqa s ASP 272 CO 0.23 -0.61 -0.22 -0.63 -0.17 0.00 0.00 175.17 173.78 3kqa s ILE 273 N 2.27 2.29 -0.04 4.11 1.01 -1.26 -1.56 121.20 128.02 3kqa s ILE 273 Ca 0.14 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3kqa s ILE 273 Cb -0.16 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 3kqa s ILE 273 CO 0.15 0.56 -0.20 -1.61 0.00 0.00 0.00 174.94 173.83 3kqa s GLU 274 N 0.23 1.99 0.14 2.79 2.02 -1.04 -5.00 118.70 119.83 3kqa s GLU 274 Ca -0.14 -0.71 0.09 0.00 0.02 0.00 0.00 54.97 54.22 3kqa s GLU 274 Cb -0.17 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 3kqa s GLU 274 CO 0.07 0.31 -0.20 0.95 0.02 0.00 0.00 175.26 176.41 3kqa s THR 275 N -0.08 1.81 0.00 3.63 -4.23 -1.26 -1.02 115.64 114.48 3kqa s THR 275 Ca -0.02 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3kqa s THR 275 Cb -0.12 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 71.99 3kqa s THR 275 CO 0.02 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3kqa n GLY 276 N 0.67 5.11 0.09 3.99 0.00 -0.31 -5.00 105.19 109.74 3kqa n GLY 276 Ca -0.16 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 3kqa n GLY 276 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kqa h GLU 277 N 0.00 0.00 -0.11 1.61 4.57 -2.01 -3.41 114.58 115.23 3kqa h GLU 277 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 3kqa h GLU 277 Cb 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.44 3kqa h GLU 277 CO 0.00 0.69 -0.68 -0.40 -1.18 0.00 0.00 179.01 177.44 3kqa n ASP 278 N -4.53 1.95 -3.76 1.04 3.85 -1.26 -4.58 116.55 109.26 3kqa n ASP 278 Ca -0.20 -3.41 -0.10 0.00 -0.71 0.00 0.00 54.79 50.37 3kqa n ASP 278 Cb 0.50 -0.46 -0.05 0.00 -1.35 0.00 0.00 41.12 39.76 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 -2.62 -0.01 -0.12 2.11 1.48 -1.25 -0.95 118.94 117.57 3kqa s TRP 279 Ca 0.38 -0.34 -0.09 0.00 -1.06 0.00 0.00 56.10 55.00 3kqa s TRP 279 Cb 0.38 0.21 0.04 0.00 -1.16 0.00 0.00 33.47 32.93 3kqa s TRP 279 CO -0.08 -0.77 0.30 0.42 -4.06 0.00 0.00 176.95 172.77 3kqa s ILE 280 N -3.87 -0.01 0.10 0.66 1.01 -1.07 -1.17 121.20 116.86 3kqa s ILE 280 Ca 0.08 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.88 3kqa s ILE 280 Cb 0.01 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 3kqa s ILE 280 CO -0.06 0.02 -0.24 -0.94 0.00 0.00 0.00 174.94 173.72 3kqa s SER 281 N 0.61 2.88 -0.06 3.58 1.04 -0.19 0.02 113.70 121.58 3kqa s SER 281 Ca -0.04 -0.69 -0.03 0.00 0.48 0.00 0.00 55.95 55.67 3kqa s SER 281 Cb -0.05 -0.19 0.03 0.00 0.10 0.00 0.00 66.02 65.91 3kqa s SER 281 CO -0.04 0.13 0.15 -0.22 0.98 0.00 0.00 173.24 174.24 3kqa s LEU 282 N -1.84 0.91 -0.05 2.42 0.20 0.11 -2.51 118.68 117.92 3kqa s LEU 282 Ca 0.10 0.30 0.02 0.00 0.69 0.00 0.00 54.13 55.24 3kqa s LEU 282 Cb -0.10 0.41 0.02 0.00 -0.43 0.00 0.00 46.19 46.09 3kqa s LEU 282 CO 0.04 -0.12 -0.08 -0.62 -0.29 0.00 0.00 176.35 175.29 3kqa s ASP 283 N 0.88 1.25 0.00 3.68 -1.08 -0.60 0.23 116.67 121.03 3kqa s ASP 283 Ca -0.07 -0.19 0.25 0.00 -0.52 0.00 0.00 52.55 52.02 3kqa s ASP 283 Cb -0.09 -0.56 0.39 0.00 -1.46 0.00 0.00 42.92 41.21 3kqa s ASP 283 CO -0.04 -0.01 1.35 0.23 0.52 0.00 0.00 175.17 177.22 3kqa n MET 284 N 3.85 1.38 -4.03 4.34 2.81 -0.38 -1.46 117.12 123.63 3kqa n MET 284 Ca -0.24 -1.03 -0.32 0.00 -1.81 0.00 0.00 57.70 54.30 3kqa n MET 284 Cb 0.52 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.55 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 0.09 -2.09 -1.16 2.03 8.25 -1.26 -0.90 115.22 120.17 3kqa n HIS 285 Ca 0.12 0.87 -0.06 0.00 -0.26 0.00 0.00 57.72 58.39 3kqa n HIS 285 Cb 0.44 -3.60 -0.02 0.00 1.12 0.00 0.00 29.99 27.93 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 -1.59 0.68 3.92 -1.41 0.00 -1.23 -5.00 105.19 100.56 3kqa n GLY 286 Ca 0.05 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.05 2.93 0.55 1.61 -0.14 -0.08 -4.94 119.74 117.62 3kqa s LYS 287 Ca 0.00 -1.15 -0.12 0.00 -1.36 0.00 0.00 55.97 53.34 3kqa s LYS 287 Cb 0.00 -2.65 -0.05 0.00 -1.68 0.00 0.00 37.83 33.45 3kqa s LYS 287 CO 0.00 0.09 0.97 1.03 -0.76 0.00 0.00 175.35 176.67 3kqa s ARG 288 N -4.08 3.72 0.70 1.68 0.52 -1.26 -4.17 118.95 116.06 3kqa s ARG 288 Ca 0.43 0.73 -0.11 0.00 -0.52 0.00 0.00 55.73 56.26 3kqa s ARG 288 Cb -0.08 -2.16 0.01 0.00 0.52 0.00 0.00 34.95 33.25 3kqa s ARG 288 CO 0.29 -0.39 1.07 -1.25 0.02 0.00 0.00 175.30 175.05 3kqa s PRO 289 N -4.66 2.87 -0.17 3.54 0.04 -1.26 -4.91 135.00 130.46 3kqa s PRO 289 Ca 0.55 0.66 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 3kqa s PRO 289 Cb -0.11 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3kqa s PRO 289 CO 0.44 -1.07 0.04 0.15 0.04 0.00 0.00 177.00 176.59 3kqa s LYS 290 N -5.22 3.85 0.53 4.56 -0.14 0.66 -1.49 119.74 122.49 3kqa s LYS 290 Ca 0.58 -0.38 -0.21 0.00 -1.36 0.00 0.00 55.97 54.59 3kqa s LYS 290 Cb -0.12 -3.12 -0.07 0.00 -1.68 0.00 0.00 37.83 32.84 3kqa s LYS 290 CO 0.53 0.30 1.05 0.00 -0.76 0.00 0.00 175.35 176.47 3kqa n ALA 291 N 3.43 0.45 -2.15 5.17 0.00 0.05 -4.35 120.51 123.11 3kqa n ALA 291 Ca -0.17 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3kqa n ALA 291 Cb 0.52 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 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 -1.40 0.12 -0.19 0.00 -7.23 -1.26 -4.87 120.40 105.56 3kqa s VAL 292 Ca 0.70 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.89 3kqa s VAL 292 Cb -0.46 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 3kqa s VAL 292 CO 0.51 -0.48 0.05 -0.89 -0.31 0.00 0.00 175.10 173.98 3kqa s THR 293 N -4.04 4.60 -0.02 5.32 2.01 -1.26 -2.93 115.64 119.33 3kqa s THR 293 Ca 0.24 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.20 3kqa s THR 293 Cb 0.07 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 3kqa s THR 293 CO 0.02 0.44 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.50 3kqa s VAL 294 N 0.59 1.54 -0.17 3.82 1.01 0.77 -4.95 120.40 123.00 3kqa s VAL 294 Ca 0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 3kqa s VAL 294 Cb -0.13 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.02 3kqa s VAL 294 CO 0.01 0.43 0.00 -0.60 0.00 0.00 0.00 175.10 174.95 3kqa s ARG 295 N -0.46 0.92 0.41 2.72 3.52 -1.26 0.01 118.95 124.82 3kqa s ARG 295 Ca 0.07 -0.41 -0.24 0.00 -0.13 0.00 0.00 55.73 55.02 3kqa s ARG 295 Cb -0.08 -1.95 -0.08 0.00 -1.56 0.00 0.00 34.95 31.28 3kqa s ARG 295 CO -0.01 -0.53 1.11 0.95 -0.81 0.00 0.00 175.30 176.01 3kqa s THR 296 N 1.78 3.39 0.17 4.11 -4.23 -0.75 -4.28 115.64 115.84 3kqa s THR 296 Ca -0.00 1.11 -0.24 0.00 -1.18 0.00 0.00 61.69 61.37 3kqa s THR 296 Cb -0.16 -3.59 0.06 0.00 1.34 0.00 0.00 72.50 70.15 3kqa s THR 296 CO -0.07 0.05 0.96 0.00 -0.54 0.00 0.00 174.62 175.02 3kqa s ALA 297 N -1.53 -1.61 0.59 3.99 0.00 -0.36 -3.95 121.76 118.88 3kqa s ALA 297 Ca 0.58 0.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 3kqa s ALA 297 Cb -0.27 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 3kqa s ALA 297 CO 0.33 -1.05 1.01 -2.30 0.00 0.00 0.00 175.76 173.75 3kqa n PRO 298 N -0.50 0.99 -1.71 0.00 -0.02 -1.26 -4.35 135.00 128.15 3kqa n PRO 298 Ca -0.06 0.38 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 3kqa n PRO 298 Cb 0.60 -2.20 0.02 0.00 -0.02 0.00 0.00 33.50 31.90 3kqa n PRO 298 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3kqa n HIS 299 N -1.60 2.20 1.49 6.00 -0.00 -1.26 -0.55 115.22 121.50 3kqa n HIS 299 Ca 0.13 0.48 0.01 0.00 0.46 0.00 0.00 57.72 58.80 3kqa n HIS 299 Cb 0.47 -2.38 0.02 0.00 -0.12 0.00 0.00 29.99 27.97 3kqa n HIS 299 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3kqa n PRO 300 N -0.14 1.14 -1.63 1.57 -0.04 -1.26 -4.89 135.00 129.74 3kqa n PRO 300 Ca 0.07 -0.15 -0.28 0.00 -0.04 0.00 0.00 63.50 63.10 3kqa n PRO 300 Cb 0.41 -1.23 0.20 0.00 -0.04 0.00 0.00 33.50 32.83 3kqa n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kqa n ALA 301 N -0.22 -1.78 -1.68 0.55 0.00 0.29 -4.32 120.51 113.35 3kqa n ALA 301 Ca 0.01 -1.61 -0.47 0.00 0.00 0.00 0.00 53.44 51.37 3kqa n ALA 301 Cb 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 3kqa n ALA 301 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kqa n PHE 302 N -3.92 2.33 -2.57 0.00 7.35 -1.26 -4.76 117.46 114.63 3kqa n PHE 302 Ca 0.15 0.06 -0.38 0.00 -0.76 0.00 0.00 57.45 56.52 3kqa n PHE 302 Cb 0.55 -2.64 -0.05 0.00 0.35 0.00 0.00 39.48 37.69 3kqa n PHE 302 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3kqa s PRO 303 N 3.10 4.44 0.47 -7.13 0.04 -1.26 -1.22 135.00 133.44 3kqa s PRO 303 Ca 0.88 1.58 0.21 0.00 0.04 0.00 0.00 61.00 63.71 3kqa s PRO 303 Cb -0.67 -2.85 1.18 0.00 0.04 0.00 0.00 34.50 32.20 3kqa s PRO 303 CO 0.47 0.09 2.00 0.00 0.04 0.00 0.00 177.00 179.59 3kqa h THR 304 N 2.62 0.83 0.00 1.26 1.03 -1.92 -2.60 112.91 114.13 3kqa h THR 304 Ca -0.47 -0.71 0.00 0.00 -0.01 0.00 0.00 66.41 65.21 3kqa h THR 304 Cb 1.21 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 69.71 3kqa h THR 304 CO 0.65 0.18 0.00 0.47 -0.01 0.00 0.00 175.52 176.81 3kqa n ASP 305 N -3.88 0.00 -0.21 0.00 8.00 -1.26 -1.62 116.55 117.58 3kqa n ASP 305 Ca -0.02 0.40 0.06 0.00 0.71 0.00 0.00 54.79 55.95 3kqa n ASP 305 Cb 0.28 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.45 2.15 -0.14 -1.24 2.81 -0.98 -4.65 117.12 113.62 3kqa n MET 306 Ca 0.04 -0.51 -0.03 0.00 -1.81 0.00 0.00 57.70 55.39 3kqa n MET 306 Cb 0.14 -1.16 0.05 0.00 -0.71 0.00 0.00 33.22 31.54 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 1.05 0.22 -0.48 0.03 -0.00 -1.32 0.10 115.11 114.71 3kqa h GLN 307 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.56 3kqa h GLN 307 Cb 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 3kqa h GLN 307 CO 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 178.83 178.97 3kqa h ALA 308 N 1.35 0.65 -0.98 3.38 0.00 -1.83 -1.14 119.26 120.70 3kqa h ALA 308 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kqa h ALA 308 Cb 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3kqa h ALA 308 CO -0.30 0.47 0.62 1.96 0.00 0.00 0.00 179.25 182.00 3kqa h GLN 309 N 0.72 1.31 0.00 0.00 7.50 -1.67 -1.06 115.11 121.91 3kqa h GLN 309 Ca 0.14 -0.10 -0.03 0.00 0.50 0.00 0.00 58.65 59.16 3kqa h GLN 309 Cb 0.53 -0.28 -0.00 0.00 0.05 0.00 0.00 27.48 27.77 3kqa h GLN 309 CO 0.03 0.89 -0.13 0.74 -1.50 0.00 0.00 178.83 178.86 3kqa h PHE 310 N 1.34 0.00 -0.01 2.96 -1.00 -0.65 -2.11 116.94 117.48 3kqa h PHE 310 Ca 0.35 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.13 3kqa h PHE 310 Cb -0.11 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.45 3kqa h PHE 310 CO 0.00 0.13 -0.00 1.15 -1.61 0.00 0.00 178.31 177.98 3kqa h THR 311 N 0.00 1.27 -0.71 -1.55 2.02 -0.01 -1.79 112.91 112.14 3kqa h THR 311 Ca -0.00 -0.80 0.13 0.00 0.77 0.00 0.00 66.41 66.51 3kqa h THR 311 Cb 0.80 1.80 -0.09 0.00 -1.74 0.00 0.00 68.15 68.92 3kqa h THR 311 CO 0.02 0.21 0.28 0.25 0.37 0.00 0.00 175.52 176.65 3kqa h LEU 312 N -0.33 0.28 0.18 2.58 5.85 -1.07 -0.89 115.31 121.90 3kqa h LEU 312 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kqa h LEU 312 Cb 0.34 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3kqa h LEU 312 CO 0.00 0.12 -0.19 0.25 -0.34 0.00 0.00 178.44 178.29 3kqa h LEU 313 N 0.45 -0.51 -0.85 2.25 6.46 -1.09 -2.65 115.31 119.37 3kqa h LEU 313 Ca 0.38 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 58.24 3kqa h LEU 313 Cb 0.54 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.59 3kqa h LEU 313 CO -0.37 -0.28 0.53 0.78 -0.62 0.00 0.00 178.44 178.48 3kqa h ASN 314 N -0.41 0.85 0.23 1.25 2.35 -0.80 -1.31 115.58 117.75 3kqa h ASN 314 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3kqa h ASN 314 Cb 0.39 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3kqa h ASN 314 CO -0.05 0.56 0.00 -0.07 -1.65 0.00 0.00 177.43 176.22 3kqa h LEU 315 N 0.99 0.00 -2.82 1.61 3.38 -0.83 -1.24 115.31 116.40 3kqa h LEU 315 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3kqa h LEU 315 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kqa h LEU 315 CO -0.15 0.00 -0.06 1.33 0.09 0.00 0.00 178.44 179.65 3kqa n VAL 316 N -2.34 1.45 -2.96 1.22 0.24 -0.62 -1.53 118.33 113.77 3kqa n VAL 316 Ca -0.01 -1.70 -0.20 0.00 -2.04 0.00 0.00 64.34 60.40 3kqa n VAL 316 Cb 0.10 0.02 0.06 0.00 -1.47 0.00 0.00 33.84 32.55 3kqa n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kqa s ALA 317 N -2.11 4.54 -0.07 2.33 0.00 -0.47 -4.53 121.76 121.46 3kqa s ALA 317 Ca 0.21 -2.01 -0.14 0.00 0.00 0.00 0.00 51.96 50.03 3kqa s ALA 317 Cb 0.19 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 3kqa s ALA 317 CO 0.02 -0.86 0.34 -1.21 0.00 0.00 0.00 175.76 174.06 3kqa s GLU 318 N -4.69 3.96 0.23 0.00 2.02 -0.56 -4.09 118.70 115.58 3kqa s GLU 318 Ca 0.61 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.86 3kqa s GLU 318 Cb -0.06 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.88 3kqa s GLU 318 CO 0.39 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.63 3kqa n GLY 319 N 2.35 -2.35 3.52 -1.39 0.00 -1.26 -0.77 105.19 105.28 3kqa n GLY 319 Ca -0.14 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.28 3.48 0.23 2.61 2.01 -1.26 -2.68 115.64 119.75 3kqa s THR 320 Ca 0.00 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.52 3kqa s THR 320 Cb 0.00 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 3kqa s THR 320 CO 0.00 0.57 -0.10 -0.83 -0.69 0.00 0.00 174.62 173.57 3kqa s GLY 321 N -0.48 1.58 -0.11 4.40 0.00 -0.16 -4.66 107.32 107.90 3kqa s GLY 321 Ca 0.07 -1.76 -0.00 0.00 0.00 0.00 0.00 44.72 43.03 3kqa s GLY 321 CO 0.02 -1.78 -0.08 0.14 0.00 0.00 0.00 173.10 171.40 3kqa s VAL 322 N -3.02 1.05 -0.31 1.40 1.01 -1.15 0.26 120.40 119.63 3kqa s VAL 322 Ca 0.25 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 3kqa s VAL 322 Cb 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3kqa s VAL 322 CO 0.09 0.37 0.13 -0.63 0.00 0.00 0.00 175.10 175.06 3kqa s ILE 323 N 1.61 4.36 -0.24 2.22 -1.09 -0.69 -0.16 121.20 127.22 3kqa s ILE 323 Ca 0.03 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 57.84 3kqa s ILE 323 Cb -0.13 -3.26 -0.00 0.00 -1.58 0.00 0.00 42.46 37.49 3kqa s ILE 323 CO -0.07 0.04 -0.03 -0.89 -1.23 0.00 0.00 174.94 172.75 3kqa s THR 324 N 1.56 3.38 -0.30 2.92 2.01 0.10 -1.02 115.64 124.30 3kqa s THR 324 Ca 0.03 -0.60 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 3kqa s THR 324 Cb -0.17 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 3kqa s THR 324 CO 0.05 0.34 0.36 -1.61 -0.69 0.00 0.00 174.62 173.07 3kqa s GLU 325 N 1.46 3.82 0.00 4.92 0.41 0.23 -1.81 118.70 127.73 3kqa s GLU 325 Ca 0.04 -0.17 0.06 0.00 -0.41 0.00 0.00 54.97 54.49 3kqa s GLU 325 Cb -0.15 -3.72 0.15 0.00 -1.78 0.00 0.00 34.13 28.63 3kqa s GLU 325 CO -0.03 -0.38 1.06 0.25 -0.49 0.00 0.00 175.26 175.67 3kqa n THR 326 N 5.18 0.82 -0.11 3.63 -2.24 -1.25 -4.70 114.28 115.60 3kqa n THR 326 Ca -0.09 -0.91 -0.18 0.00 -2.27 0.00 0.00 64.05 60.60 3kqa n THR 326 Cb 0.50 0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.11 1.22 -4.77 2.28 2.08 -1.26 -4.98 119.36 114.04 3kqa n ILE 327 Ca 0.06 -0.41 -0.24 0.00 0.56 0.00 0.00 62.75 62.72 3kqa n ILE 327 Cb 0.31 -1.46 -0.15 0.00 -0.75 0.00 0.00 39.64 37.59 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 -2.42 1.51 -0.16 1.39 0.40 -1.26 -5.05 117.98 112.39 3kqa s PHE 328 Ca -0.30 -0.34 0.17 0.00 -0.60 0.00 0.00 56.93 55.87 3kqa s PHE 328 Cb 0.09 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.61 3kqa s PHE 328 CO 0.45 -0.07 1.15 0.93 0.70 0.00 0.00 175.22 178.38 3kqa h GLU 329 N 5.92 0.00 -2.30 0.44 4.39 -1.93 -3.39 114.58 117.71 3kqa h GLU 329 Ca -0.35 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.71 3kqa h GLU 329 Cb 1.16 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.42 3kqa h GLU 329 CO 0.48 0.34 -0.32 -1.71 -1.16 0.00 0.00 179.01 176.64 3kqa n ASN 330 N -3.02 4.77 -2.36 1.42 2.85 -1.26 -4.83 115.26 112.82 3kqa n ASN 330 Ca -0.03 -3.60 -0.26 0.00 -0.11 0.00 0.00 54.58 50.59 3kqa n ASN 330 Cb 0.75 -0.72 0.01 0.00 1.24 0.00 0.00 39.78 41.06 3kqa n ASN 330 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3kqa n ARG 331 N 0.22 3.43 -0.75 1.20 0.63 -1.26 -4.75 116.66 115.38 3kqa n ARG 331 Ca 0.32 -4.39 0.06 0.00 -0.92 0.00 0.00 57.85 52.92 3kqa n ARG 331 Cb 0.38 -2.24 0.15 0.00 0.45 0.00 0.00 32.46 31.21 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 -0.54 0.00 -0.10 -0.14 0.99 -1.26 -4.81 117.46 111.60 3kqa n PHE 332 Ca 0.40 -1.18 0.10 0.00 -0.00 0.00 0.00 57.45 56.76 3kqa n PHE 332 Cb 0.75 -0.21 0.45 0.00 -1.00 0.00 0.00 39.48 39.47 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 0.88 0.50 0.00 -1.08 2.86 -2.00 -2.41 114.93 113.68 3kqa h MET 333 Ca -0.05 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 3kqa h MET 333 Cb 1.21 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 3kqa h MET 333 CO 0.02 0.33 -0.44 1.12 1.06 0.00 0.00 176.91 179.01 3kqa h HIS 334 N 0.52 0.00 0.26 -0.22 2.07 -1.91 -3.33 115.15 112.53 3kqa h HIS 334 Ca 0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 3kqa h HIS 334 Cb 0.41 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.36 3kqa h HIS 334 CO -0.00 0.44 -0.47 0.28 -3.07 0.00 0.00 177.93 175.11 3kqa h VAL 335 N 0.00 0.00 -0.52 6.12 2.07 -1.81 0.27 116.25 122.39 3kqa h VAL 335 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3kqa h VAL 335 Cb 0.88 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 3kqa h VAL 335 CO 0.06 0.00 -0.04 -0.65 0.02 0.00 0.00 177.57 176.96 3kqa h PRO 336 N -0.78 0.08 -0.32 1.57 0.11 -1.73 0.20 132.00 131.12 3kqa h PRO 336 Ca -0.03 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.14 3kqa h PRO 336 Cb 0.73 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.76 3kqa h PRO 336 CO -0.17 0.05 -0.09 0.93 -0.21 0.00 0.00 178.00 178.51 3kqa h GLU 337 N 0.08 -0.01 -0.81 1.05 4.39 -1.57 -0.69 114.58 117.02 3kqa h GLU 337 Ca 0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 3kqa h GLU 337 Cb 0.40 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 3kqa h GLU 337 CO -0.46 -0.01 0.45 -0.07 -1.16 0.00 0.00 179.01 177.76 3kqa h LEU 338 N -0.01 1.01 -1.29 1.33 3.38 0.67 -2.17 115.31 118.23 3kqa h LEU 338 Ca 0.16 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3kqa h LEU 338 Cb 0.25 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3kqa h LEU 338 CO -0.34 0.81 0.51 0.40 0.09 0.00 0.00 178.44 179.91 3kqa h ILE 339 N 1.12 1.07 0.00 1.22 2.04 0.30 0.31 117.51 123.58 3kqa h ILE 339 Ca 0.29 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3kqa h ILE 339 Cb 0.02 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3kqa h ILE 339 CO -0.05 0.16 0.00 0.03 0.00 0.00 0.00 178.15 178.29 3kqa h ARG 340 N 0.88 0.00 -0.15 2.37 3.08 -0.51 -0.93 114.38 119.12 3kqa h ARG 340 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3kqa h ARG 340 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3kqa h ARG 340 CO -0.10 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.47 3kqa n MET 341 N -2.41 1.99 0.00 0.04 2.81 0.10 -4.87 117.12 114.79 3kqa n MET 341 Ca 0.02 -1.47 0.00 0.00 -1.81 0.00 0.00 57.70 54.44 3kqa n MET 341 Cb 0.24 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 1.26 0.79 3.81 3.03 0.00 -0.36 0.81 105.19 114.54 3kqa n GLY 342 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 2.70 -0.29 4.61 0.00 -0.81 -4.93 121.76 121.05 3kqa s ALA 343 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.18 3kqa s ALA 343 Cb 0.00 -3.20 0.08 0.00 0.00 0.00 0.00 23.12 20.01 3kqa s ALA 343 CO 0.00 -1.06 0.01 -1.01 0.00 0.00 0.00 175.76 173.71 3kqa s HIS 344 N -2.81 2.72 0.03 0.00 0.09 -1.26 -4.39 115.29 109.67 3kqa s HIS 344 Ca 0.60 -2.19 -0.04 0.00 -0.00 0.00 0.00 55.06 53.43 3kqa s HIS 344 Cb -0.15 -2.07 -0.01 0.00 -0.00 0.00 0.00 32.58 30.35 3kqa s HIS 344 CO 0.48 -0.86 0.07 0.00 -0.00 0.00 0.00 174.74 174.43 3kqa s ALA 345 N 1.27 -0.05 -0.10 -1.40 0.00 -1.26 -0.87 121.76 119.35 3kqa s ALA 345 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.50 3kqa s ALA 345 Cb -0.19 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3kqa s ALA 345 CO -0.11 -0.26 -0.12 -1.21 0.00 0.00 0.00 175.76 174.06 3kqa s GLU 346 N -2.16 1.87 -0.36 0.00 2.02 -0.49 -4.96 118.70 114.62 3kqa s GLU 346 Ca -0.09 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.32 3kqa s GLU 346 Cb -0.04 -1.68 -0.00 0.00 0.10 0.00 0.00 34.13 32.50 3kqa s GLU 346 CO -0.03 -0.12 0.38 0.42 0.02 0.00 0.00 175.26 175.93 3kqa s ILE 347 N 1.18 5.15 -0.44 -1.63 1.01 -1.26 -0.92 121.20 124.29 3kqa s ILE 347 Ca -0.04 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3kqa s ILE 347 Cb -0.14 -3.87 0.12 0.00 0.01 0.00 0.00 42.46 38.58 3kqa s ILE 347 CO -0.03 -0.16 0.17 -1.61 0.00 0.00 0.00 174.94 173.31 3kqa s GLU 348 N 2.03 1.79 6.91 2.79 2.02 -0.58 -5.01 118.70 128.66 3kqa s GLU 348 Ca 0.12 -2.26 0.00 0.00 0.02 0.00 0.00 54.97 52.85 3kqa s GLU 348 Cb -0.17 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.76 3kqa s GLU 348 CO 0.12 -1.04 0.00 0.45 0.02 0.00 0.00 175.26 174.81 3kqa n SER 349 N 3.69 0.00 -1.32 -0.19 2.88 -1.26 -2.55 113.62 114.87 3kqa n SER 349 Ca 0.04 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.67 3kqa n SER 349 Cb 0.37 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.13 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 10.27 3.88 -4.30 -3.46 6.94 -1.26 -4.94 115.26 122.38 3kqa n ASN 350 Ca 0.00 -2.28 -0.16 0.00 -0.02 0.00 0.00 54.58 52.12 3kqa n ASN 350 Cb 0.00 -0.50 -0.10 0.00 -2.36 0.00 0.00 39.78 36.82 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 -1.65 1.13 -0.05 5.53 -4.23 -1.06 -0.60 115.64 114.71 3kqa s THR 351 Ca 0.42 -2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3kqa s THR 351 Cb 0.26 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 71.99 3kqa s THR 351 CO 0.22 -0.50 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.11 3kqa s VAL 352 N -3.36 0.29 -0.18 2.29 1.01 -0.19 -1.53 120.40 118.74 3kqa s VAL 352 Ca 0.24 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 3kqa s VAL 352 Cb 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 3kqa s VAL 352 CO 0.05 0.20 0.51 -0.63 0.00 0.00 0.00 175.10 175.24 3kqa s ILE 353 N 1.41 5.12 -0.20 2.22 -1.09 -0.10 -1.70 121.20 126.86 3kqa s ILE 353 Ca -0.04 0.95 -0.05 0.00 -2.23 0.00 0.00 60.65 59.28 3kqa s ILE 353 Cb -0.13 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 3kqa s ILE 353 CO -0.03 0.21 0.00 0.00 -1.23 0.00 0.00 174.94 173.90 3kqa s HIS 355 N 1.03 3.55 0.19 0.00 3.76 -0.05 -0.98 115.29 122.80 3kqa s HIS 355 Ca 0.02 -2.54 -0.32 0.00 -0.15 0.00 0.00 55.06 52.07 3kqa s HIS 355 Cb -0.14 -3.39 -0.16 0.00 1.11 0.00 0.00 32.58 30.00 3kqa s HIS 355 CO 0.02 -0.88 1.11 0.41 -0.85 0.00 0.00 174.74 174.55 3kqa n GLY 356 N 3.50 -0.08 3.61 -2.22 0.00 -1.09 -4.14 105.19 104.76 3kqa n GLY 356 Ca 0.11 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.39 3kqa n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqa s VAL 357 N -0.36 3.25 0.32 1.61 -7.23 -0.58 -4.78 120.40 112.62 3kqa s VAL 357 Ca 0.71 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.97 3kqa s VAL 357 Cb -0.84 -2.72 0.07 0.00 0.56 0.00 0.00 36.38 33.45 3kqa s VAL 357 CO 0.54 -0.36 1.76 -0.08 -0.31 0.00 0.00 175.10 176.65 3kqa h GLU 358 N 2.05 0.20 -2.12 4.82 4.57 -1.89 -3.41 114.58 118.80 3kqa h GLU 358 Ca -0.44 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 57.61 3kqa h GLU 358 Cb 1.25 -0.01 -0.21 0.00 -0.16 0.00 0.00 28.75 29.62 3kqa h GLU 358 CO 0.60 0.53 0.09 0.21 -1.18 0.00 0.00 179.01 179.26 3kqa s LYS 359 N -4.26 0.83 0.22 1.92 2.20 -1.26 -5.08 119.74 114.31 3kqa s LYS 359 Ca -0.04 0.79 0.04 0.00 -0.36 0.00 0.00 55.97 56.39 3kqa s LYS 359 Cb 0.14 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.83 3kqa s LYS 359 CO 0.76 -0.14 0.35 -0.51 -0.36 0.00 0.00 175.35 175.44 3kqa s LEU 360 N 0.04 4.32 -0.02 5.43 1.43 -1.26 -4.91 118.68 123.70 3kqa s LEU 360 Ca -0.02 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 3kqa s LEU 360 Cb -0.04 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 3kqa s LEU 360 CO 0.03 -0.04 -0.15 -0.44 0.23 0.00 0.00 176.35 175.98 3kqa s SER 361 N -3.77 4.00 0.91 2.29 0.01 0.24 0.53 113.70 117.91 3kqa s SER 361 Ca 0.34 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 57.24 3kqa s SER 361 Cb -0.10 -0.79 0.14 0.00 0.21 0.00 0.00 66.02 65.49 3kqa s SER 361 CO 0.29 0.31 1.14 -0.83 0.41 0.00 0.00 173.24 174.56 3kqa s GLY 362 N -1.01 1.68 0.05 3.44 0.00 -0.33 -4.46 107.32 106.69 3kqa s GLY 362 Ca 0.13 0.54 -0.28 0.00 0.00 0.00 0.00 44.72 45.11 3kqa s GLY 362 CO 0.03 0.97 1.10 0.00 0.00 0.00 0.00 173.10 175.19 3kqa s ALA 363 N -2.67 -1.92 -0.09 3.20 0.00 -1.21 -4.90 121.76 114.18 3kqa s ALA 363 Ca 0.66 0.53 -0.24 0.00 0.00 0.00 0.00 51.96 52.91 3kqa s ALA 363 Cb -0.22 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 3kqa s ALA 363 CO 0.58 -0.98 0.73 -0.65 0.00 0.00 0.00 175.76 175.43 3kqa s GLN 364 N -2.88 4.41 0.17 0.00 -0.21 -1.26 -2.12 119.66 117.76 3kqa s GLN 364 Ca 0.12 0.91 -0.00 0.00 0.02 0.00 0.00 55.36 56.41 3kqa s GLN 364 Cb 0.01 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 3kqa s GLN 364 CO -0.02 -0.02 0.07 0.14 -2.12 0.00 0.00 175.29 173.35 3kqa s VAL 365 N 1.08 0.18 -0.17 1.09 -7.23 0.11 -4.94 120.40 110.52 3kqa s VAL 365 Ca 0.38 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 3kqa s VAL 365 Cb -0.18 -2.24 0.12 0.00 0.56 0.00 0.00 36.38 34.65 3kqa s VAL 365 CO 0.17 -0.29 0.98 -0.32 -0.31 0.00 0.00 175.10 175.33 3kqa s MET 366 N -4.06 0.62 -0.08 4.82 0.00 -1.26 -0.69 119.30 118.65 3kqa s MET 366 Ca 0.30 0.23 -0.15 0.00 0.00 0.00 0.00 55.69 56.06 3kqa s MET 366 Cb 0.07 0.29 0.03 0.00 0.00 0.00 0.00 34.83 35.23 3kqa s MET 366 CO 0.06 -0.18 0.36 0.00 0.00 0.00 0.00 175.02 175.27 3kqa s ALA 367 N -0.91 -0.91 -1.92 4.11 0.00 -1.26 -4.92 121.76 115.95 3kqa s ALA 367 Ca -0.02 0.74 0.26 0.00 0.00 0.00 0.00 51.96 52.95 3kqa s ALA 367 Cb -0.01 -0.27 0.74 0.00 0.00 0.00 0.00 23.12 23.58 3kqa s ALA 367 CO 0.01 -0.23 1.56 0.25 0.00 0.00 0.00 175.76 177.35 3kqa n THR 368 N 2.04 0.00 -3.86 0.00 -2.24 -1.26 -4.64 114.28 104.32 3kqa n THR 368 Ca -0.17 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.10 3kqa n THR 368 Cb 0.57 0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.41 5.96 0.19 3.42 2.15 -1.26 -4.98 116.67 119.73 3kqa s ASP 369 Ca 0.26 0.18 -0.24 0.00 0.43 0.00 0.00 52.55 53.18 3kqa s ASP 369 Cb 0.19 -2.03 0.08 0.00 -0.30 0.00 0.00 42.92 40.86 3kqa s ASP 369 CO 0.49 0.19 1.55 0.25 -0.17 0.00 0.00 175.17 177.48 3kqa h LEU 370 N 6.58 -1.67 -0.46 -1.34 5.85 -1.87 0.14 115.31 122.55 3kqa h LEU 370 Ca -0.40 0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 3kqa h LEU 370 Cb 1.16 0.79 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 3kqa h LEU 370 CO 0.73 -0.29 -0.13 0.03 -0.34 0.00 0.00 178.44 178.43 3kqa h ARG 371 N -0.09 0.90 -0.64 1.25 2.47 -1.95 -0.15 114.38 116.17 3kqa h ARG 371 Ca 0.23 -0.35 -0.07 0.00 -1.26 0.00 0.00 59.98 58.53 3kqa h ARG 371 Cb 0.53 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 3kqa h ARG 371 CO -0.86 1.00 0.14 0.00 0.56 0.00 0.00 179.97 180.81 3kqa h ALA 372 N 0.87 0.84 -0.47 0.04 0.00 -1.85 0.74 119.26 119.44 3kqa h ALA 372 Ca 0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3kqa h ALA 372 Cb 0.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kqa h ALA 372 CO 0.05 0.57 -0.03 1.03 0.00 0.00 0.00 179.25 180.87 3kqa h SER 373 N 0.95 0.84 -0.59 0.00 0.87 -0.55 -1.33 113.55 113.74 3kqa h SER 373 Ca 0.20 -0.32 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 3kqa h SER 373 Cb 0.38 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3kqa h SER 373 CO 0.00 0.96 0.22 0.00 -0.53 0.00 0.00 176.83 177.49 3kqa h ALA 374 N 0.91 1.22 -0.20 6.23 0.00 -0.77 -1.86 119.26 124.78 3kqa h ALA 374 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3kqa h ALA 374 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kqa h ALA 374 CO 0.03 0.56 -0.23 0.77 0.00 0.00 0.00 179.25 180.39 3kqa h SER 375 N 0.91 0.36 -0.17 0.00 0.02 -0.24 -1.26 113.55 113.16 3kqa h SER 375 Ca 0.21 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 3kqa h SER 375 Cb 0.22 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3kqa h SER 375 CO -0.01 0.59 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.03 3kqa h LEU 376 N 0.33 0.57 -0.56 5.07 3.38 -0.61 0.13 115.31 123.62 3kqa h LEU 376 Ca 0.05 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3kqa h LEU 376 Cb 0.58 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kqa h LEU 376 CO 0.04 0.76 -0.22 0.58 0.09 0.00 0.00 178.44 179.69 3kqa h VAL 377 N 0.52 1.27 -0.61 1.22 2.07 -0.65 -1.79 116.25 118.27 3kqa h VAL 377 Ca 0.09 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 3kqa h VAL 377 Cb 0.59 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3kqa h VAL 377 CO 0.04 0.47 0.26 -0.07 0.02 0.00 0.00 177.57 178.29 3kqa h LEU 378 N 0.80 0.82 -1.50 2.57 3.38 -0.61 -2.27 115.31 118.51 3kqa h LEU 378 Ca 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3kqa h LEU 378 Cb 0.78 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3kqa h LEU 378 CO 0.06 0.75 0.04 0.00 0.09 0.00 0.00 178.44 179.39 3kqa h ALA 379 N 1.10 1.60 -0.01 1.53 0.00 -0.55 -1.60 119.26 121.33 3kqa h ALA 379 Ca 0.21 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3kqa h ALA 379 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kqa h ALA 379 CO -0.02 0.30 -0.68 0.78 0.00 0.00 0.00 179.25 179.63 3kqa h GLY 380 N 0.61 0.07 1.22 0.00 0.00 -0.82 -0.16 103.07 104.00 3kqa h GLY 380 Ca 0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 3kqa h GLY 380 CO -0.00 0.09 0.20 0.00 0.00 0.00 0.00 176.54 176.83 3kqa n ILE 382 N -4.27 0.00 -2.30 0.00 -5.35 -1.10 -0.02 119.36 106.31 3kqa n ILE 382 Ca 0.05 -0.19 -0.31 0.00 -0.27 0.00 0.00 62.75 62.03 3kqa n ILE 382 Cb 0.22 0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 39.06 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 -2.56 3.11 -0.12 -1.28 0.00 -0.08 -4.45 121.76 116.38 3kqa s ALA 383 Ca 0.19 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 3kqa s ALA 383 Cb 0.18 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 3kqa s ALA 383 CO 0.60 -0.34 1.09 -2.00 0.00 0.00 0.00 175.76 175.10 3kqa s GLU 384 N -4.38 4.36 0.70 0.00 2.56 0.19 -1.94 118.70 120.18 3kqa s GLU 384 Ca 0.57 1.49 0.00 0.00 0.00 0.00 0.00 54.97 57.03 3kqa s GLU 384 Cb -0.10 -3.58 0.00 0.00 2.00 0.00 0.00 34.13 32.44 3kqa s GLU 384 CO 0.38 -0.44 0.00 0.41 -0.56 0.00 0.00 175.26 175.05 3kqa n GLY 385 N 3.26 -1.19 3.76 -1.50 0.00 -0.98 -1.19 105.19 107.35 3kqa n GLY 385 Ca 0.10 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 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 5.14 -0.04 2.61 2.01 -1.26 -1.48 115.64 122.62 3kqa s THR 386 Ca 0.00 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.13 3kqa s THR 386 Cb 0.00 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 3kqa s THR 386 CO 0.00 0.54 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.38 3kqa s THR 387 N -0.36 1.61 -0.18 -0.82 2.01 0.69 -3.28 115.64 115.31 3kqa s THR 387 Ca 0.10 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 3kqa s THR 387 Cb -0.12 -1.37 -0.00 0.00 0.01 0.00 0.00 72.50 71.02 3kqa s THR 387 CO 0.01 0.46 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.60 3kqa s VAL 388 N -0.10 2.91 -0.31 3.82 1.01 -0.90 -0.52 120.40 126.30 3kqa s VAL 388 Ca -0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 3kqa s VAL 388 Cb -0.11 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.01 3kqa s VAL 388 CO 0.02 0.49 0.11 -0.69 0.00 0.00 0.00 175.10 175.02 3kqa s VAL 389 N 1.03 4.05 0.47 2.92 1.01 -0.41 0.10 120.40 129.56 3kqa s VAL 389 Ca -0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3kqa s VAL 389 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3kqa s VAL 389 CO -0.02 -0.01 0.79 -0.62 0.00 0.00 0.00 175.10 175.24 3kqa s ASP 390 N 1.50 6.30 -1.23 3.32 2.15 0.14 -1.21 116.67 127.64 3kqa s ASP 390 Ca 0.02 0.97 -0.03 0.00 0.43 0.00 0.00 52.55 53.94 3kqa s ASP 390 Cb -0.18 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.17 3kqa s ASP 390 CO 0.03 -0.56 0.80 0.54 -0.17 0.00 0.00 175.17 175.82 3kqa n ARG 391 N -2.11 -4.54 0.00 4.34 1.74 -1.20 -4.48 116.66 110.41 3kqa n ARG 391 Ca 0.01 0.69 0.11 0.00 -0.77 0.00 0.00 57.85 57.89 3kqa n ARG 391 Cb 0.55 -5.31 0.63 0.00 -1.02 0.00 0.00 32.46 27.31 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 -4.09 0.10 0.11 0.55 -5.35 -1.07 -3.26 119.36 106.35 3kqa n ILE 392 Ca -0.25 0.02 0.15 0.00 -0.27 0.00 0.00 62.75 62.41 3kqa n ILE 392 Cb 0.66 -0.67 0.67 0.00 -1.74 0.00 0.00 39.64 38.56 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 -0.06 4.28 -0.00 -1.91 0.31 116.97 119.60 3kqa h TYR 393 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.74 3kqa h TYR 393 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.78 3kqa h TYR 393 CO 0.00 0.00 -0.00 0.45 -0.00 0.00 0.00 178.16 178.61 3kqa h HIS 394 N 0.00 -0.01 -0.10 0.10 3.86 -1.93 -1.60 115.15 115.47 3kqa h HIS 394 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3kqa h HIS 394 Cb 0.58 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3kqa h HIS 394 CO -0.00 -0.01 0.06 0.82 0.86 0.00 0.00 177.93 179.66 3kqa h ILE 395 N 0.02 1.01 -0.69 2.45 2.04 -0.78 -2.53 117.51 119.03 3kqa h ILE 395 Ca 0.03 -0.04 0.20 0.00 1.00 0.00 0.00 64.86 66.05 3kqa h ILE 395 Cb 0.03 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3kqa h ILE 395 CO -0.05 0.02 0.54 0.44 0.00 0.00 0.00 178.15 179.11 3kqa h ASP 396 N 0.12 0.00 1.88 1.72 3.32 -0.27 0.10 116.42 123.29 3kqa h ASP 396 Ca 0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3kqa h ASP 396 Cb -0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3kqa h ASP 396 CO -0.02 0.00 -0.09 0.03 -1.72 0.00 0.00 179.24 177.44 3kqa h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -0.86 -3.37 114.38 116.79 3kqa h ARG 397 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3kqa h ARG 397 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3kqa h ARG 397 CO -0.00 0.09 -0.77 0.41 -1.07 0.00 0.00 179.97 178.62 3kqa n GLY 398 N 1.10 0.19 3.12 0.04 0.00 -0.29 -4.68 105.19 104.66 3kqa n GLY 398 Ca 0.04 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.85 2.46 -0.16 1.61 1.51 0.19 -4.94 117.35 116.18 3kqa s TYR 399 Ca -0.00 -1.29 -0.27 0.00 -1.01 0.00 0.00 57.07 54.51 3kqa s TYR 399 Cb 0.02 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 3kqa s TYR 399 CO 0.10 -0.62 0.89 -2.00 -1.11 0.00 0.00 175.55 172.80 3kqa s GLU 400 N 1.02 4.33 -1.57 -0.62 2.12 -1.26 -4.08 118.70 118.64 3kqa s GLU 400 Ca -0.03 1.13 -0.12 0.00 0.36 0.00 0.00 54.97 56.31 3kqa s GLU 400 Cb -0.15 -3.57 0.09 0.00 0.26 0.00 0.00 34.13 30.77 3kqa s GLU 400 CO -0.05 -0.34 0.71 0.54 -0.54 0.00 0.00 175.26 175.58 3kqa n ARG 401 N 5.23 -3.71 -0.33 4.30 1.74 -1.26 -4.84 116.66 117.79 3kqa n ARG 401 Ca 0.06 0.43 0.09 0.00 -0.77 0.00 0.00 57.85 57.66 3kqa n ARG 401 Cb 0.49 -5.00 0.25 0.00 -1.02 0.00 0.00 32.46 27.18 3kqa n ARG 401 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3kqa h ILE 402 N -1.73 0.78 -0.31 0.55 6.09 -1.96 -1.69 117.51 119.24 3kqa h ILE 402 Ca -0.60 -0.26 0.04 0.00 -1.37 0.00 0.00 64.86 62.67 3kqa h ILE 402 Cb 1.38 -0.06 -0.04 0.00 0.47 0.00 0.00 36.82 38.57 3kqa h ILE 402 CO 0.71 0.14 0.06 -0.08 -3.07 0.00 0.00 178.15 175.91 3kqa h GLU 403 N 0.77 0.17 -0.49 2.19 4.81 -1.94 -1.17 114.58 118.91 3kqa h GLU 403 Ca 0.50 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.64 3kqa h GLU 403 Cb 0.67 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3kqa h GLU 403 CO -0.34 0.11 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.59 3kqa h ASP 404 N 0.17 0.82 0.09 1.04 3.32 -1.71 -1.12 116.42 119.03 3kqa h ASP 404 Ca 0.15 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 3kqa h ASP 404 Cb 0.16 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kqa h ASP 404 CO -0.19 0.90 -0.52 0.11 -1.72 0.00 0.00 179.24 177.81 3kqa h LYS 405 N 0.78 0.48 -0.04 3.56 1.57 -0.93 -1.97 116.57 120.03 3kqa h LYS 405 Ca 0.14 -0.29 -0.25 0.00 -1.87 0.00 0.00 60.65 58.38 3kqa h LYS 405 Cb 0.51 0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.86 3kqa h LYS 405 CO 0.03 0.89 -0.96 -0.07 -0.57 0.00 0.00 179.45 178.76 3kqa h LEU 406 N 0.37 0.86 -1.16 2.94 3.38 -1.13 -2.85 115.31 117.73 3kqa h LEU 406 Ca 0.01 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 3kqa h LEU 406 Cb 1.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3kqa h LEU 406 CO 0.09 1.45 0.28 -0.09 0.09 0.00 0.00 178.44 180.27 3kqa h ARG 407 N 0.40 0.87 0.00 1.13 2.43 -1.15 0.99 114.38 119.06 3kqa h ARG 407 Ca -0.10 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3kqa h ARG 407 Cb 1.61 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3kqa h ARG 407 CO 0.19 0.68 0.00 0.00 -1.51 0.00 0.00 179.97 179.33 3kqa n ALA 408 N -2.45 1.87 1.20 2.80 0.00 -0.75 -1.35 120.51 121.84 3kqa n ALA 408 Ca 0.05 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3kqa n ALA 408 Cb 0.14 -1.40 0.27 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.15 1.64 0.00 0.00 4.77 -0.33 -4.68 117.00 116.24 3kqa n LEU 409 Ca 0.03 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3kqa n LEU 409 Cb 0.29 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3kqa n LEU 409 CO 0.23 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3kqa n GLY 410 N 1.33 0.98 3.78 -0.72 0.00 -0.46 -0.85 105.19 109.24 3kqa n GLY 410 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 2.92 -0.76 4.61 0.00 0.20 -4.81 121.76 121.91 3kqa s ALA 411 Ca 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 3kqa s ALA 411 Cb 0.00 -3.34 0.19 0.00 0.00 0.00 0.00 23.12 19.96 3kqa s ALA 411 CO 0.00 -0.57 0.74 1.21 0.00 0.00 0.00 175.76 177.14 3kqa s ASN 412 N -1.56 6.60 -0.01 0.00 3.84 -1.26 -4.42 114.94 118.13 3kqa s ASN 412 Ca 0.65 -2.37 0.01 0.00 0.21 0.00 0.00 52.86 51.36 3kqa s ASN 412 Cb -0.25 -2.23 0.01 0.00 -0.55 0.00 0.00 41.25 38.22 3kqa s ASN 412 CO 0.30 -0.71 -0.04 -0.51 -2.79 0.00 0.00 177.10 173.35 3kqa s ILE 413 N 0.85 0.37 -0.04 -5.21 2.07 -1.26 -1.30 121.20 116.67 3kqa s ILE 413 Ca 0.16 -0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 3kqa s ILE 413 Cb -0.15 -0.35 0.01 0.00 0.13 0.00 0.00 42.46 42.11 3kqa s ILE 413 CO -0.06 0.13 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.34 3kqa s GLU 414 N 0.22 0.97 -0.20 3.50 2.12 0.18 -4.97 118.70 120.52 3kqa s GLU 414 Ca -0.02 -0.21 -0.23 0.00 0.36 0.00 0.00 54.97 54.87 3kqa s GLU 414 Cb -0.06 -0.91 -0.02 0.00 0.26 0.00 0.00 34.13 33.41 3kqa s GLU 414 CO -0.00 -0.00 0.76 0.50 -0.54 0.00 0.00 175.26 175.97 3kqa s ARG 415 N 0.64 4.24 -0.25 4.30 3.52 -1.26 0.21 118.95 130.33 3kqa s ARG 415 Ca -0.10 0.85 -0.08 0.00 -0.13 0.00 0.00 55.73 56.28 3kqa s ARG 415 Cb -0.13 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 3kqa s ARG 415 CO 0.01 -0.35 0.09 0.08 -0.81 0.00 0.00 175.30 174.32 3kqa s VAL 416 N 2.25 4.46 0.00 7.11 1.01 -0.23 -4.97 120.40 130.04 3kqa s VAL 416 Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3kqa s VAL 416 Cb -0.16 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3kqa s VAL 416 CO 0.10 0.33 0.00 0.29 0.00 0.00 0.00 175.10 175.82 3kqa n LYS 417 N 4.94 3.01 0.00 2.72 4.76 -1.26 -1.91 118.16 130.42 3kqa n LYS 417 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 3kqa n LYS 417 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 3kqa n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kqa n GLY 418 N 5.00 1.57 0.79 0.72 0.00 -1.26 -4.73 105.19 107.27 3kqa n GLY 418 Ca 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.57 3kqa n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48