#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k53 s VAL 2 N 0.00 4.65 -0.24 1.12 -7.23 -1.26 -4.91 120.40 112.53 3k53 s VAL 2 Ca 0.00 0.98 -0.28 0.00 -1.81 0.00 0.00 61.98 60.87 3k53 s VAL 2 Cb 0.00 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 3k53 s VAL 2 CO 0.00 -0.93 2.16 -0.22 -0.31 0.00 0.00 175.10 175.80 3k53 s LEU 3 N -4.66 3.45 -0.00 1.32 2.96 -1.26 -4.96 118.68 115.53 3k53 s LEU 3 Ca 0.56 1.80 -0.08 0.00 -0.22 0.00 0.00 54.13 56.19 3k53 s LEU 3 Cb -0.10 -3.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 3k53 s LEU 3 CO 0.43 -1.93 0.29 -0.54 -1.32 0.00 0.00 176.35 173.29 3k53 s LYS 4 N 6.25 3.64 -0.01 1.98 -0.14 -1.26 -4.96 119.74 125.24 3k53 s LYS 4 Ca 0.97 0.03 -0.01 0.00 -1.36 0.00 0.00 55.97 55.60 3k53 s LYS 4 Cb -0.31 -3.10 -0.04 0.00 -1.68 0.00 0.00 37.83 32.70 3k53 s LYS 4 CO 0.35 0.66 0.11 0.95 -0.76 0.00 0.00 175.35 176.65 3k53 s THR 5 N -1.24 4.92 -0.10 2.17 -4.23 -1.26 -0.86 115.64 115.03 3k53 s THR 5 Ca 0.26 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 3k53 s THR 5 Cb -0.14 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.47 3k53 s THR 5 CO 0.14 0.36 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.81 3k53 s VAL 6 N -1.21 0.99 -0.15 2.29 1.01 0.66 -1.57 120.40 122.41 3k53 s VAL 6 Ca 0.23 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 3k53 s VAL 6 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3k53 s VAL 6 CO 0.14 0.35 0.04 0.00 0.00 0.00 0.00 175.10 175.63 3k53 s ALA 7 N 1.47 3.34 -0.20 5.51 0.00 -0.30 0.43 121.76 132.01 3k53 s ALA 7 Ca 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 3k53 s ALA 7 Cb -0.13 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 3k53 s ALA 7 CO -0.05 0.30 0.07 -0.51 0.00 0.00 0.00 175.76 175.57 3k53 s LEU 8 N 0.01 3.72 0.03 0.00 1.43 0.27 -0.69 118.68 123.45 3k53 s LEU 8 Ca 0.05 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 3k53 s LEU 8 Cb -0.12 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 3k53 s LEU 8 CO 0.01 0.11 -0.09 0.54 0.23 0.00 0.00 176.35 177.16 3k53 s VAL 9 N 0.77 0.64 -2.46 -1.59 0.11 -0.75 -1.49 120.40 115.63 3k53 s VAL 9 Ca 0.04 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 3k53 s VAL 9 Cb -0.13 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 3k53 s VAL 9 CO 0.02 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 3k53 n GLY 10 N 2.01 -1.87 3.75 6.54 0.00 -1.26 -1.75 105.19 112.61 3k53 n GLY 10 Ca -0.19 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 3k53 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k53 s ASN 11 N -0.77 3.64 0.58 1.61 0.01 -1.13 -0.50 114.94 118.37 3k53 s ASN 11 Ca 0.00 1.28 -0.17 0.00 -0.71 0.00 0.00 52.86 53.25 3k53 s ASN 11 Cb 0.00 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.66 3k53 s ASN 11 CO 0.00 -2.50 1.09 -2.84 -1.51 0.00 0.00 177.10 171.34 3k53 s PRO 12 N -5.07 3.27 -0.61 -0.60 0.02 -1.26 -4.18 135.00 126.56 3k53 s PRO 12 Ca 0.63 1.41 -0.16 0.00 0.02 0.00 0.00 61.00 62.90 3k53 s PRO 12 Cb -0.16 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.37 3k53 s PRO 12 CO 0.55 -0.88 0.64 0.09 -0.33 0.00 0.00 177.00 177.08 3k53 n ASN 13 N -1.73 -6.22 0.00 2.53 3.02 -1.26 -4.90 115.26 106.70 3k53 n ASN 13 Ca 0.10 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 3k53 n ASN 13 Cb 0.52 -3.09 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 3k53 n ASN 13 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3k53 n VAL 14 N -1.24 0.00 0.00 2.41 0.24 -1.26 -4.98 118.33 113.49 3k53 n VAL 14 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3k53 n VAL 14 Cb 0.61 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 3k53 n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k53 n GLY 15 N 0.00 1.12 0.27 7.63 0.00 -1.26 -4.62 105.19 108.32 3k53 n GLY 15 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3k53 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3k53 h LYS 16 N 0.48 0.11 -0.53 1.61 3.64 -1.92 0.41 116.57 120.37 3k53 h LYS 16 Ca 0.00 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3k53 h LYS 16 Cb 0.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3k53 h LYS 16 CO 0.00 0.07 -0.02 1.15 -2.27 0.00 0.00 179.45 178.38 3k53 h THR 17 N 0.11 1.26 -0.49 1.00 2.02 -1.96 -0.15 112.91 114.69 3k53 h THR 17 Ca 0.40 -1.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 3k53 h THR 17 Cb 0.70 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3k53 h THR 17 CO -0.65 0.39 -0.10 0.74 0.37 0.00 0.00 175.52 176.27 3k53 h THR 18 N 0.84 1.26 -0.29 3.16 2.02 -1.22 -0.64 112.91 118.03 3k53 h THR 18 Ca 0.15 -1.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 3k53 h THR 18 Cb 0.52 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3k53 h THR 18 CO 0.03 0.42 -0.08 0.40 0.37 0.00 0.00 175.52 176.66 3k53 h ILE 19 N 0.82 1.28 -0.94 3.11 1.08 -0.12 -1.33 117.51 121.41 3k53 h ILE 19 Ca 0.13 -1.12 0.08 0.00 -0.39 0.00 0.00 64.86 63.56 3k53 h ILE 19 Cb 0.63 1.42 -0.07 0.00 -3.07 0.00 0.00 36.82 35.72 3k53 h ILE 19 CO 0.04 0.36 0.59 0.15 -0.69 0.00 0.00 178.15 178.60 3k53 h PHE 20 N 0.32 1.09 -0.20 1.37 3.04 -0.66 0.68 116.94 122.58 3k53 h PHE 20 Ca 0.07 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.87 3k53 h PHE 20 Cb 0.57 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 3k53 h PHE 20 CO 0.05 0.52 -0.63 -0.91 -2.02 0.00 0.00 178.31 175.32 3k53 h ASN 21 N 1.04 0.78 -0.56 0.41 2.35 -0.97 -1.71 115.58 116.92 3k53 h ASN 21 Ca 0.43 -0.45 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 3k53 h ASN 21 Cb 0.26 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3k53 h ASN 21 CO -0.20 1.22 0.11 0.00 -1.65 0.00 0.00 177.43 176.91 3k53 h ALA 22 N 0.79 1.07 0.00 -0.83 0.00 -0.34 0.20 119.26 120.14 3k53 h ALA 22 Ca -0.01 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 3k53 h ALA 22 Cb 1.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3k53 h ALA 22 CO 0.13 0.61 -0.93 -0.07 0.00 0.00 0.00 179.25 178.99 3k53 h LEU 23 N 0.91 0.01 -1.06 0.00 3.38 -0.85 -3.35 115.31 114.36 3k53 h LEU 23 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3k53 h LEU 23 Cb 0.37 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k53 h LEU 23 CO 0.01 0.93 -0.21 0.35 0.09 0.00 0.00 178.44 179.61 3k53 n THR 24 N -3.45 0.00 -3.75 0.22 -2.24 -0.65 -4.16 114.28 100.25 3k53 n THR 24 Ca -0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3k53 n THR 24 Cb 0.88 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 70.32 3k53 n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k53 n GLY 25 N 1.00 2.50 1.29 3.38 0.00 0.05 -1.18 105.19 112.23 3k53 n GLY 25 Ca 0.07 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.85 3k53 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k53 n LEU 26 N 0.00 3.74 -3.47 0.99 4.77 -1.26 -4.60 117.00 117.17 3k53 n LEU 26 Ca 0.00 -1.86 -0.40 0.00 -0.03 0.00 0.00 56.01 53.71 3k53 n LEU 26 Cb 0.00 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 3k53 n LEU 26 CO 0.00 0.93 3.14 0.54 -1.33 0.00 0.00 177.39 180.67 3k53 n ARG 27 N 1.55 3.41 -4.34 3.23 1.74 -0.32 -4.87 116.66 117.05 3k53 n ARG 27 Ca 0.23 -2.37 -0.24 0.00 -0.77 0.00 0.00 57.85 54.70 3k53 n ARG 27 Cb 0.59 -2.97 -0.09 0.00 -1.02 0.00 0.00 32.46 28.97 3k53 n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3k53 s GLN 28 N 2.48 2.03 -0.03 5.56 -0.21 -1.26 -0.76 119.66 127.47 3k53 s GLN 28 Ca 0.61 -1.47 0.02 0.00 0.02 0.00 0.00 55.36 54.55 3k53 s GLN 28 Cb 0.17 -2.05 0.01 0.00 1.00 0.00 0.00 33.01 32.13 3k53 s GLN 28 CO -0.07 0.38 -0.08 -1.58 -2.12 0.00 0.00 175.29 171.81 3k53 s HIS 29 N -2.16 0.91 -0.11 0.91 5.65 0.18 -4.95 115.29 115.73 3k53 s HIS 29 Ca 0.29 -0.23 -0.00 0.00 0.25 0.00 0.00 55.06 55.36 3k53 s HIS 29 Cb -0.07 -0.67 -0.02 0.00 -1.18 0.00 0.00 32.58 30.64 3k53 s HIS 29 CO 0.17 -0.11 -0.09 0.08 -0.65 0.00 0.00 174.74 174.14 3k53 s VAL 30 N 0.27 3.46 0.00 0.89 1.01 -1.26 -2.17 120.40 122.59 3k53 s VAL 30 Ca -0.04 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3k53 s VAL 30 Cb -0.09 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3k53 s VAL 30 CO 0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3k53 n GLY 31 N 2.95 3.05 3.01 4.51 0.00 -0.52 -5.02 105.19 113.16 3k53 n GLY 31 Ca -0.18 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 3k53 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k53 s ASN 32 N 1.79 0.25 0.30 1.61 4.22 -1.26 0.20 114.94 122.04 3k53 s ASN 32 Ca 0.00 -0.53 -0.30 0.00 -2.14 0.00 0.00 52.86 49.90 3k53 s ASN 32 Cb 0.00 0.12 -0.11 0.00 1.28 0.00 0.00 41.25 42.54 3k53 s ASN 32 CO 0.00 -0.34 1.51 0.26 -2.04 0.00 0.00 177.10 176.48 3k53 s TRP 33 N -1.74 2.83 0.01 1.54 0.52 -0.46 -4.76 118.94 116.89 3k53 s TRP 33 Ca -0.13 0.97 -0.31 0.00 0.02 0.00 0.00 56.10 56.65 3k53 s TRP 33 Cb -0.08 -3.95 -0.16 0.00 -1.15 0.00 0.00 33.47 28.13 3k53 s TRP 33 CO -0.02 -3.07 0.81 -2.30 0.02 0.00 0.00 176.95 172.39 3k53 n PRO 34 N 1.84 0.00 -4.48 4.98 -0.02 -1.26 -2.29 135.00 133.77 3k53 n PRO 34 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 3k53 n PRO 34 Cb 0.39 -1.15 -0.07 0.00 -0.02 0.00 0.00 33.50 32.65 3k53 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k53 n GLY 35 N 1.22 -0.41 3.38 -1.23 0.00 -1.26 -4.92 105.19 101.97 3k53 n GLY 35 Ca 0.16 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 3k53 n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k53 s VAL 36 N -3.24 0.04 0.28 1.61 -7.23 -0.97 -5.06 120.40 105.83 3k53 s VAL 36 Ca 0.82 -0.29 0.11 0.00 -1.81 0.00 0.00 61.98 60.80 3k53 s VAL 36 Cb -0.47 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 3k53 s VAL 36 CO 1.01 -0.16 1.64 0.74 -0.31 0.00 0.00 175.10 178.01 3k53 h THR 37 N 2.80 1.42 -1.10 5.32 2.02 -1.91 -3.39 112.91 118.07 3k53 h THR 37 Ca -0.31 -2.02 -0.83 0.00 0.77 0.00 0.00 66.41 64.02 3k53 h THR 37 Cb 1.21 2.09 0.02 0.00 -1.74 0.00 0.00 68.15 69.74 3k53 h THR 37 CO 0.42 0.58 0.54 0.52 0.37 0.00 0.00 175.52 177.94 3k53 n VAL 38 N -3.84 0.04 -2.30 3.16 0.31 -1.26 -4.81 118.33 109.62 3k53 n VAL 38 Ca -0.01 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 63.91 3k53 n VAL 38 Cb 0.59 -0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 33.02 3k53 n VAL 38 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3k53 s GLU 39 N 2.15 4.43 -0.21 5.55 2.12 -1.26 -1.36 118.70 130.12 3k53 s GLU 39 Ca 0.99 1.97 0.01 0.00 0.36 0.00 0.00 54.97 58.31 3k53 s GLU 39 Cb -1.36 -3.05 0.04 0.00 0.26 0.00 0.00 34.13 30.02 3k53 s GLU 39 CO 0.72 -0.03 -0.14 0.21 -0.54 0.00 0.00 175.26 175.47 3k53 s LYS 40 N -1.73 2.46 -0.06 4.30 2.20 0.13 -4.68 119.74 122.36 3k53 s LYS 40 Ca 0.48 -0.96 -0.01 0.00 -0.36 0.00 0.00 55.97 55.12 3k53 s LYS 40 Cb -0.35 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 3k53 s LYS 40 CO 0.45 -0.37 0.02 0.15 -0.36 0.00 0.00 175.35 175.24 3k53 s LYS 41 N 1.28 2.99 0.04 4.03 1.02 -1.26 -1.44 119.74 126.39 3k53 s LYS 41 Ca -0.01 -0.44 -0.21 0.00 0.02 0.00 0.00 55.97 55.33 3k53 s LYS 41 Cb -0.16 -2.81 0.05 0.00 -0.52 0.00 0.00 37.83 34.39 3k53 s LYS 41 CO -0.09 0.69 0.49 -1.83 -0.92 0.00 0.00 175.35 173.68 3k53 s GLU 42 N -1.15 0.99 0.34 1.68 -1.05 -0.92 -1.74 118.70 116.85 3k53 s GLU 42 Ca 0.16 -0.23 -0.17 0.00 -0.15 0.00 0.00 54.97 54.58 3k53 s GLU 42 Cb -0.11 0.45 0.06 0.00 -0.44 0.00 0.00 34.13 34.08 3k53 s GLU 42 CO 0.06 -0.34 0.83 0.20 0.95 0.00 0.00 175.26 176.95 3k53 s GLY 43 N -1.89 0.29 -0.21 -3.83 0.00 -0.29 0.49 107.32 101.87 3k53 s GLY 43 Ca -0.06 -0.64 -0.10 0.00 0.00 0.00 0.00 44.72 43.92 3k53 s GLY 43 CO -0.01 0.14 0.14 -0.42 0.00 0.00 0.00 173.10 172.95 3k53 s ILE 44 N -2.41 5.37 -0.13 0.90 -1.09 0.06 -1.08 121.20 122.82 3k53 s ILE 44 Ca 0.16 0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 58.71 3k53 s ILE 44 Cb -0.05 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 3k53 s ILE 44 CO 0.10 0.41 0.06 -0.32 -1.23 0.00 0.00 174.94 173.95 3k53 s MET 45 N 0.62 3.45 0.04 2.79 -2.45 0.50 -4.37 119.30 119.89 3k53 s MET 45 Ca 0.08 -0.31 0.09 0.00 -1.25 0.00 0.00 55.69 54.29 3k53 s MET 45 Cb -0.12 -3.04 -0.03 0.00 1.25 0.00 0.00 34.83 32.89 3k53 s MET 45 CO 0.00 0.57 -0.26 -2.00 1.05 0.00 0.00 175.02 174.39 3k53 s GLU 46 N -0.49 1.84 -0.27 4.11 2.12 -1.26 0.14 118.70 124.89 3k53 s GLU 46 Ca 0.10 -1.09 -0.00 0.00 0.36 0.00 0.00 54.97 54.33 3k53 s GLU 46 Cb -0.12 -2.00 0.16 0.00 0.26 0.00 0.00 34.13 32.43 3k53 s GLU 46 CO 0.02 0.52 0.47 -0.47 -0.54 0.00 0.00 175.26 175.25 3k53 s TYR 47 N -0.81 -1.18 -1.40 5.30 5.04 -0.65 -4.91 117.35 118.75 3k53 s TYR 47 Ca 0.12 1.00 -0.07 0.00 -2.44 0.00 0.00 57.07 55.68 3k53 s TYR 47 Cb -0.10 0.17 0.04 0.00 0.35 0.00 0.00 41.96 42.41 3k53 s TYR 47 CO 0.02 -0.85 0.93 0.54 -1.34 0.00 0.00 175.55 174.85 3k53 n ARG 48 N 5.39 -5.86 -0.40 4.97 5.12 -1.26 -1.17 116.66 123.45 3k53 n ARG 48 Ca -0.01 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.58 3k53 n ARG 48 Cb 0.51 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 26.31 3k53 n ARG 48 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3k53 n GLU 49 N -4.55 0.00 -2.84 5.56 1.02 -1.26 -4.99 120.64 113.57 3k53 n GLU 49 Ca -0.11 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.65 3k53 n GLU 49 Cb 0.60 -2.86 -0.06 0.00 -0.02 0.00 0.00 31.44 29.09 3k53 n GLU 49 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3k53 s LYS 50 N -0.19 4.64 -0.09 3.49 1.02 -0.32 -5.02 119.74 123.27 3k53 s LYS 50 Ca 0.00 1.30 -0.00 0.00 0.02 0.00 0.00 55.97 57.29 3k53 s LYS 50 Cb 0.00 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 3k53 s LYS 50 CO 0.00 0.43 -0.06 -1.21 -0.92 0.00 0.00 175.35 173.59 3k53 s GLU 51 N -1.56 3.01 0.08 1.68 2.02 -1.26 -1.64 118.70 121.04 3k53 s GLU 51 Ca 0.43 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 54.96 3k53 s GLU 51 Cb -0.22 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 3k53 s GLU 51 CO 0.27 0.54 -0.21 -0.06 0.02 0.00 0.00 175.26 175.81 3k53 s PHE 52 N -0.46 1.84 -0.45 1.61 0.08 0.12 -4.08 117.98 116.64 3k53 s PHE 52 Ca 0.07 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.61 3k53 s PHE 52 Cb -0.12 -1.03 0.10 0.00 -0.57 0.00 0.00 43.02 41.39 3k53 s PHE 52 CO 0.02 0.18 0.32 -1.17 -0.10 0.00 0.00 175.22 174.47 3k53 s LEU 53 N -1.68 5.47 -0.03 -0.37 2.96 -0.04 -0.37 118.68 124.62 3k53 s LEU 53 Ca 0.07 -1.65 -0.22 0.00 -0.22 0.00 0.00 54.13 52.11 3k53 s LEU 53 Cb -0.10 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 3k53 s LEU 53 CO 0.04 -0.63 0.67 -0.69 -1.32 0.00 0.00 176.35 174.41 3k53 s VAL 54 N 1.44 4.95 -0.12 1.68 1.01 -0.24 -0.25 120.40 128.87 3k53 s VAL 54 Ca 0.04 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.43 3k53 s VAL 54 Cb -0.25 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3k53 s VAL 54 CO 0.02 0.33 -0.20 -0.69 0.00 0.00 0.00 175.10 174.56 3k53 s VAL 55 N 0.31 1.84 -0.36 2.92 1.01 0.17 -1.14 120.40 125.14 3k53 s VAL 55 Ca 0.35 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 3k53 s VAL 55 Cb -0.18 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 3k53 s VAL 55 CO 0.18 0.51 0.45 -0.62 0.00 0.00 0.00 175.10 175.62 3k53 s ASP 56 N 0.76 6.25 0.19 3.32 -1.08 -0.71 -0.56 116.67 124.83 3k53 s ASP 56 Ca -0.10 -0.22 -0.19 0.00 -0.52 0.00 0.00 52.55 51.53 3k53 s ASP 56 Cb -0.16 -2.24 -0.08 0.00 -1.46 0.00 0.00 42.92 38.99 3k53 s ASP 56 CO 0.01 -0.45 0.67 -0.76 0.52 0.00 0.00 175.17 175.16 3k53 s LEU 57 N 2.23 4.37 0.34 -1.34 1.43 -0.55 -4.31 118.68 120.84 3k53 s LEU 57 Ca 0.15 1.34 -0.26 0.00 -1.03 0.00 0.00 54.13 54.33 3k53 s LEU 57 Cb -0.16 -3.45 -0.13 0.00 0.03 0.00 0.00 46.19 42.48 3k53 s LEU 57 CO 0.13 0.07 0.86 -2.65 0.23 0.00 0.00 176.35 175.00 3k53 n PRO 58 N 0.85 1.05 -1.83 1.29 -0.02 -1.26 -4.75 135.00 130.34 3k53 n PRO 58 Ca -0.04 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 3k53 n PRO 58 Cb 0.51 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 32.25 3k53 n PRO 58 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3k53 s GLY 59 N -0.72 2.81 0.09 -1.23 0.00 -1.26 -4.73 107.32 102.27 3k53 s GLY 59 Ca 0.61 1.54 -0.07 0.00 0.00 0.00 0.00 44.72 46.80 3k53 s GLY 59 CO 0.59 2.28 0.16 -0.26 0.00 0.00 0.00 173.10 175.87 3k53 s ILE 60 N -0.93 0.14 -1.12 0.90 -4.36 0.34 -4.65 121.20 111.53 3k53 s ILE 60 Ca 0.54 -1.31 0.12 0.00 -0.26 0.00 0.00 60.65 59.75 3k53 s ILE 60 Cb -0.46 -1.44 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 3k53 s ILE 60 CO 0.59 -0.66 0.71 -1.22 0.24 0.00 0.00 174.94 174.61 3k53 n TYR 61 N -0.05 0.00 -3.60 1.37 4.01 -1.26 -2.83 117.16 114.79 3k53 n TYR 61 Ca -0.14 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3k53 n TYR 61 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 3k53 n TYR 61 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3k53 n SER 62 N -0.23 -0.28 -2.55 7.72 3.41 -1.26 -4.09 113.62 116.34 3k53 n SER 62 Ca 0.05 -1.13 -0.16 0.00 -0.26 0.00 0.00 58.87 57.37 3k53 n SER 62 Cb 0.26 0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.68 3k53 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k53 n LEU 63 N 0.00 3.01 0.00 1.04 4.77 -1.26 -4.81 117.00 119.75 3k53 n LEU 63 Ca -0.00 -4.30 0.00 0.00 -0.03 0.00 0.00 56.01 51.68 3k53 n LEU 63 Cb 0.10 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3k53 n LEU 63 CO 0.03 1.81 0.00 0.35 -1.33 0.00 0.00 177.39 178.25 3k53 n THR 64 N -0.34 0.00 0.47 -5.08 -2.24 -1.26 -4.98 114.28 100.85 3k53 n THR 64 Ca 0.23 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.11 3k53 n THR 64 Cb 0.77 -1.98 -0.13 0.00 -2.10 0.00 0.00 70.33 66.89 3k53 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k53 n ALA 65 N -3.00 3.66 0.00 6.98 0.00 -1.26 -4.39 120.51 122.51 3k53 n ALA 65 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3k53 n ALA 65 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3k53 n ALA 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k53 n HIS 66 N -1.80 0.00 -3.58 0.00 8.25 -1.26 -4.77 115.22 112.06 3k53 n HIS 66 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 3k53 n HIS 66 Cb 0.40 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 3k53 n HIS 66 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3k53 s SER 67 N -2.32 -0.46 0.13 0.41 1.04 -1.26 -5.04 113.70 106.20 3k53 s SER 67 Ca 0.00 0.26 -0.25 0.00 0.48 0.00 0.00 55.95 56.45 3k53 s SER 67 Cb 0.00 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 3k53 s SER 67 CO 0.00 -0.67 1.63 0.40 0.98 0.00 0.00 173.24 175.58 3k53 h ILE 68 N 2.92 0.40 -0.64 -1.02 1.08 -1.98 -1.82 117.51 116.45 3k53 h ILE 68 Ca -0.30 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.26 3k53 h ILE 68 Cb 1.20 0.40 -0.07 0.00 -3.07 0.00 0.00 36.82 35.27 3k53 h ILE 68 CO 0.41 0.00 0.27 0.44 -0.69 0.00 0.00 178.15 178.58 3k53 h ASP 69 N -0.36 0.31 -0.35 1.72 3.32 -1.96 -0.47 116.42 118.63 3k53 h ASP 69 Ca 0.08 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3k53 h ASP 69 Cb 0.48 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3k53 h ASP 69 CO -0.28 0.18 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.06 3k53 h GLU 70 N 0.47 0.74 0.00 3.56 5.08 -1.79 -2.43 114.58 120.21 3k53 h GLU 70 Ca 0.32 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3k53 h GLU 70 Cb 0.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3k53 h GLU 70 CO -0.29 0.77 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.97 3k53 h LEU 71 N 0.69 0.00 -0.31 1.33 3.38 -0.47 0.40 115.31 120.33 3k53 h LEU 71 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3k53 h LEU 71 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3k53 h LEU 71 CO 0.02 0.46 -0.08 0.40 0.09 0.00 0.00 178.44 179.33 3k53 h ILE 72 N 0.00 1.28 -0.19 1.22 2.04 -0.65 -0.39 117.51 120.83 3k53 h ILE 72 Ca -0.00 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 3k53 h ILE 72 Cb 0.89 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3k53 h ILE 72 CO 0.06 0.36 -0.08 0.00 0.00 0.00 0.00 178.15 178.49 3k53 h ALA 73 N 0.79 0.26 -0.22 1.87 0.00 -1.33 -1.02 119.26 119.62 3k53 h ALA 73 Ca 0.08 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3k53 h ALA 73 Cb 0.58 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3k53 h ALA 73 CO 0.03 0.08 -0.53 -0.09 0.00 0.00 0.00 179.25 178.74 3k53 h ARG 74 N 0.07 -0.50 -0.08 0.00 9.65 -0.83 -1.83 114.38 120.86 3k53 h ARG 74 Ca 0.04 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 3k53 h ARG 74 Cb 0.56 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.25 3k53 h ARG 74 CO 0.03 -0.33 0.01 -0.91 2.80 0.00 0.00 179.97 181.57 3k53 h ASN 75 N -0.52 0.13 -0.65 -3.80 -0.26 -1.06 -1.61 115.58 107.81 3k53 h ASN 75 Ca 0.05 -0.26 0.12 0.00 -0.56 0.00 0.00 56.30 55.65 3k53 h ASN 75 Cb 0.65 -0.03 -0.09 0.00 -1.06 0.00 0.00 38.32 37.79 3k53 h ASN 75 CO -0.48 0.36 0.21 0.15 -1.06 0.00 0.00 177.43 176.60 3k53 h PHE 76 N -0.10 0.35 0.12 1.19 3.57 -1.04 -0.68 116.94 120.35 3k53 h PHE 76 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3k53 h PHE 76 Cb 0.28 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3k53 h PHE 76 CO 0.02 0.03 -0.06 0.82 -2.23 0.00 0.00 178.31 176.89 3k53 h ILE 77 N 0.36 1.04 -0.11 1.41 2.04 -1.31 -2.30 117.51 118.64 3k53 h ILE 77 Ca 0.34 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 65.04 3k53 h ILE 77 Cb 0.49 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3k53 h ILE 77 CO -0.38 0.26 0.08 -0.07 0.00 0.00 0.00 178.15 178.04 3k53 h LEU 78 N -0.77 0.00 -1.51 1.44 3.38 -1.05 -1.44 115.31 115.36 3k53 h LEU 78 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k53 h LEU 78 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3k53 h LEU 78 CO 0.03 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.03 3k53 n ASP 79 N -4.50 2.17 -2.04 -0.43 8.00 -0.28 -4.91 116.55 114.56 3k53 n ASP 79 Ca -0.00 -2.18 -0.15 0.00 0.71 0.00 0.00 54.79 53.17 3k53 n ASP 79 Cb 0.20 -0.38 0.02 0.00 -0.02 0.00 0.00 41.12 40.94 3k53 n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k53 n GLY 80 N 0.60 -0.12 0.25 0.44 0.00 -0.54 -4.92 105.19 100.90 3k53 n GLY 80 Ca 0.10 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3k53 n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k53 n ASN 81 N -1.04 0.91 -4.19 1.61 4.13 -0.86 -4.78 115.26 111.04 3k53 n ASN 81 Ca -0.08 -0.96 -0.34 0.00 1.68 0.00 0.00 54.58 54.87 3k53 n ASN 81 Cb 0.58 0.03 -0.14 0.00 -1.54 0.00 0.00 39.78 38.71 3k53 n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k53 s ALA 82 N -2.33 2.71 0.15 5.41 0.00 -1.26 -4.78 121.76 121.67 3k53 s ALA 82 Ca 0.31 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 3k53 s ALA 82 Cb 0.20 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 3k53 s ALA 82 CO 0.45 -0.92 1.38 -0.44 0.00 0.00 0.00 175.76 176.23 3k53 h ASP 83 N 8.00 0.56 -3.84 0.00 3.32 -1.76 -3.44 116.42 119.25 3k53 h ASP 83 Ca -0.30 -0.39 -0.29 0.00 0.02 0.00 0.00 57.03 56.07 3k53 h ASP 83 Cb 1.10 -0.17 -0.28 0.00 0.22 0.00 0.00 39.33 40.19 3k53 h ASP 83 CO 0.56 1.15 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.80 3k53 s VAL 84 N -3.54 0.26 -0.23 -1.35 1.01 -0.61 -4.86 120.40 111.08 3k53 s VAL 84 Ca -0.06 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3k53 s VAL 84 Cb 0.10 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.30 3k53 s VAL 84 CO 0.86 0.07 -0.13 -0.63 0.00 0.00 0.00 175.10 175.27 3k53 s ILE 85 N -0.07 2.05 -0.38 2.22 1.01 -0.51 -1.15 121.20 124.37 3k53 s ILE 85 Ca 0.01 -1.34 -0.15 0.00 0.00 0.00 0.00 60.65 59.17 3k53 s ILE 85 Cb -0.01 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.39 3k53 s ILE 85 CO -0.00 0.16 0.31 -0.69 0.00 0.00 0.00 174.94 174.71 3k53 s VAL 86 N 1.20 5.23 -0.49 2.92 1.01 0.13 -0.93 120.40 129.48 3k53 s VAL 86 Ca -0.04 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 3k53 s VAL 86 Cb -0.17 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.39 3k53 s VAL 86 CO -0.08 -0.21 0.63 -0.62 0.00 0.00 0.00 175.10 174.82 3k53 s ASP 87 N 1.72 6.24 -0.13 3.32 2.15 0.43 -1.81 116.67 128.59 3k53 s ASP 87 Ca 0.07 -0.76 -0.23 0.00 0.43 0.00 0.00 52.55 52.06 3k53 s ASP 87 Cb -0.18 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 3k53 s ASP 87 CO 0.11 -0.86 0.71 -0.63 -0.17 0.00 0.00 175.17 174.33 3k53 s ILE 88 N 2.69 5.00 0.01 4.11 -1.09 -0.72 -0.76 121.20 130.44 3k53 s ILE 88 Ca 0.17 1.42 0.05 0.00 -2.23 0.00 0.00 60.65 60.06 3k53 s ILE 88 Cb -0.18 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 3k53 s ILE 88 CO 0.14 0.16 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.15 3k53 s VAL 89 N 1.45 1.33 -0.34 2.92 1.01 -0.30 -4.26 120.40 122.20 3k53 s VAL 89 Ca 0.35 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 3k53 s VAL 89 Cb -0.17 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3k53 s VAL 89 CO 0.14 0.27 0.90 -0.62 0.00 0.00 0.00 175.10 175.79 3k53 s ASP 90 N -0.68 6.71 0.62 3.32 -1.08 -1.26 -0.58 116.67 123.72 3k53 s ASP 90 Ca 0.06 0.67 0.37 0.00 -0.52 0.00 0.00 52.55 53.12 3k53 s ASP 90 Cb -0.07 -2.46 2.09 0.00 -1.46 0.00 0.00 42.92 41.02 3k53 s ASP 90 CO 0.00 -0.78 2.30 0.28 0.52 0.00 0.00 175.17 177.49 3k53 h SER 91 N 8.31 0.00 -0.13 -0.34 0.02 -1.24 -2.42 113.55 117.75 3k53 h SER 91 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3k53 h SER 91 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3k53 h SER 91 CO 0.96 0.01 0.00 0.35 -1.14 0.00 0.00 176.83 177.01 3k53 n THR 92 N -3.44 0.16 -2.87 -2.27 -2.24 -1.26 -4.25 114.28 98.11 3k53 n THR 92 Ca -0.03 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 3k53 n THR 92 Cb 0.09 0.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.60 3k53 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k53 h LEU 94 N 2.91 -0.57 -0.33 0.00 3.38 -1.74 -2.86 115.31 116.09 3k53 h LEU 94 Ca -0.05 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3k53 h LEU 94 Cb 1.08 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 3k53 h LEU 94 CO 0.25 -0.25 -0.43 -0.03 0.09 0.00 0.00 178.44 178.07 3k53 h MET 95 N -0.28 -0.28 0.00 1.13 4.05 -1.96 0.48 114.93 118.08 3k53 h MET 95 Ca 0.07 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.53 3k53 h MET 95 Cb 0.38 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.19 3k53 h MET 95 CO -0.22 -0.19 -0.53 -0.09 0.23 0.00 0.00 176.91 176.12 3k53 h ARG 96 N -0.29 -0.65 -0.64 0.39 9.65 -1.98 -2.95 114.38 117.92 3k53 h ARG 96 Ca 0.06 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 59.07 3k53 h ARG 96 Cb 0.45 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 29.11 3k53 h ARG 96 CO -0.47 -0.43 0.29 -0.91 2.80 0.00 0.00 179.97 181.25 3k53 h ASN 97 N -0.67 0.36 0.58 -3.80 4.21 -1.19 -2.87 115.58 112.20 3k53 h ASN 97 Ca 0.01 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.58 3k53 h ASN 97 Cb 0.72 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 3k53 h ASN 97 CO -0.35 0.22 0.00 -0.07 -1.29 0.00 0.00 177.43 175.93 3k53 h LEU 98 N 0.52 0.00 0.01 1.61 3.38 0.12 -2.68 115.31 118.27 3k53 h LEU 98 Ca 0.31 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.28 3k53 h LEU 98 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3k53 h LEU 98 CO -0.26 0.00 -0.03 0.15 0.09 0.00 0.00 178.44 178.39 3k53 h PHE 99 N 0.00 -0.08 -0.37 1.13 3.57 -1.42 0.33 116.94 120.09 3k53 h PHE 99 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3k53 h PHE 99 Cb 0.29 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3k53 h PHE 99 CO 0.00 -0.05 0.25 1.25 -2.23 0.00 0.00 178.31 177.52 3k53 h LEU 100 N -0.07 0.38 -0.56 0.59 5.85 -1.62 -1.79 115.31 118.08 3k53 h LEU 100 Ca 0.01 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3k53 h LEU 100 Cb 0.08 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3k53 h LEU 100 CO -0.03 0.27 -0.01 0.74 -0.34 0.00 0.00 178.44 179.07 3k53 h THR 101 N 0.44 1.27 -0.31 1.05 2.02 -1.12 -2.40 112.91 113.86 3k53 h THR 101 Ca 0.14 -1.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 3k53 h THR 101 Cb 0.03 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3k53 h THR 101 CO -0.03 0.41 -0.00 -0.07 0.37 0.00 0.00 175.52 176.20 3k53 h LEU 102 N 0.89 0.44 -0.03 2.58 4.07 -0.16 -2.09 115.31 121.00 3k53 h LEU 102 Ca 0.16 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 3k53 h LEU 102 Cb 0.56 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 3k53 h LEU 102 CO 0.03 0.51 0.00 -0.33 -1.08 0.00 0.00 178.44 177.57 3k53 h GLU 103 N 0.45 0.06 -0.98 1.13 4.39 -1.10 -1.15 114.58 117.39 3k53 h GLU 103 Ca 0.10 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.88 3k53 h GLU 103 Cb 0.30 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.87 3k53 h GLU 103 CO 0.01 0.31 0.62 -0.07 -1.16 0.00 0.00 179.01 178.72 3k53 h LEU 104 N -0.21 0.94 -0.71 1.33 3.38 -1.13 0.41 115.31 119.32 3k53 h LEU 104 Ca 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3k53 h LEU 104 Cb 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3k53 h LEU 104 CO 0.00 0.54 0.41 -0.26 0.09 0.00 0.00 178.44 179.22 3k53 h PHE 105 N 1.04 0.95 0.00 1.13 0.04 -1.07 -1.89 116.94 117.14 3k53 h PHE 105 Ca 0.46 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.21 3k53 h PHE 105 Cb 0.34 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3k53 h PHE 105 CO -0.01 0.66 0.00 0.93 -0.60 0.00 0.00 178.31 179.29 3k53 h GLU 106 N 0.97 0.00 -0.46 1.51 5.08 0.33 0.19 114.58 122.19 3k53 h GLU 106 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3k53 h GLU 106 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k53 h GLU 106 CO -0.04 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.64 3k53 n MET 107 N -2.83 1.22 -1.51 2.33 2.81 -0.71 -4.33 117.12 114.09 3k53 n MET 107 Ca -0.00 -0.24 -0.18 0.00 -1.81 0.00 0.00 57.70 55.47 3k53 n MET 107 Cb 0.20 -1.28 -0.08 0.00 -0.71 0.00 0.00 33.22 31.36 3k53 n MET 107 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3k53 n GLU 108 N -0.16 -1.52 -1.87 0.03 -0.58 0.05 -4.79 120.64 111.81 3k53 n GLU 108 Ca 0.02 1.11 -0.40 0.00 -0.42 0.00 0.00 57.16 57.48 3k53 n GLU 108 Cb 0.17 -5.50 0.01 0.00 -0.57 0.00 0.00 31.44 25.55 3k53 n GLU 108 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3k53 s VAL 109 N -2.50 2.21 0.00 2.62 1.01 -1.21 -4.91 120.40 117.63 3k53 s VAL 109 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3k53 s VAL 109 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3k53 s VAL 109 CO 0.00 0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.42 3k53 n LYS 110 N 0.00 1.50 -1.17 2.72 4.76 -1.26 -4.79 118.16 119.93 3k53 n LYS 110 Ca 0.04 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.22 3k53 n LYS 110 Cb 0.42 -0.89 -0.10 0.00 -1.84 0.00 0.00 35.03 32.62 3k53 n LYS 110 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3k53 n ASN 111 N -2.00 7.08 -4.46 4.39 6.94 -1.26 -4.79 115.26 121.16 3k53 n ASN 111 Ca 0.00 -2.53 -0.30 0.00 -0.02 0.00 0.00 54.58 51.72 3k53 n ASN 111 Cb 0.39 -1.49 -0.12 0.00 -2.36 0.00 0.00 39.78 36.20 3k53 n ASN 111 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 3k53 s ILE 112 N 1.57 2.80 -0.09 1.53 2.07 -1.26 -1.42 121.20 126.40 3k53 s ILE 112 Ca 0.68 -1.24 0.02 0.00 -1.41 0.00 0.00 60.65 58.70 3k53 s ILE 112 Cb 0.25 -2.20 0.01 0.00 0.13 0.00 0.00 42.46 40.65 3k53 s ILE 112 CO -0.03 0.29 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.52 3k53 s ILE 113 N -0.96 1.38 -0.17 2.00 1.01 -0.11 -4.31 121.20 120.04 3k53 s ILE 113 Ca 0.15 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 3k53 s ILE 113 Cb -0.10 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 3k53 s ILE 113 CO 0.06 0.41 0.25 -0.22 0.00 0.00 0.00 174.94 175.44 3k53 s LEU 114 N 0.79 4.24 -0.34 2.97 0.20 -0.71 -0.43 118.68 125.41 3k53 s LEU 114 Ca -0.11 0.43 -0.04 0.00 0.69 0.00 0.00 54.13 55.11 3k53 s LEU 114 Cb -0.16 -2.30 0.06 0.00 -0.43 0.00 0.00 46.19 43.37 3k53 s LEU 114 CO 0.02 0.12 0.08 -0.69 -0.29 0.00 0.00 176.35 175.59 3k53 s VAL 115 N 0.42 3.31 -0.84 1.68 1.01 0.06 -1.17 120.40 124.88 3k53 s VAL 115 Ca 0.14 -1.45 -0.25 0.00 0.00 0.00 0.00 61.98 60.42 3k53 s VAL 115 Cb -0.12 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.32 3k53 s VAL 115 CO 0.02 -0.26 1.31 -0.76 0.00 0.00 0.00 175.10 175.41 3k53 s LEU 116 N 1.28 3.44 0.48 3.92 1.43 -0.16 -1.15 118.68 127.92 3k53 s LEU 116 Ca -0.01 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 3k53 s LEU 116 Cb -0.20 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.47 3k53 s LEU 116 CO -0.01 -1.67 0.71 0.21 0.23 0.00 0.00 176.35 175.82 3k53 s ASN 117 N 4.16 5.69 -1.41 2.29 3.04 0.25 -0.64 114.94 128.32 3k53 s ASN 117 Ca 0.38 0.24 -0.08 0.00 0.04 0.00 0.00 52.86 53.44 3k53 s ASN 117 Cb -0.06 -1.39 0.01 0.00 -1.54 0.00 0.00 41.25 38.27 3k53 s ASN 117 CO 0.05 -0.83 1.07 0.29 -3.04 0.00 0.00 177.10 174.64 3k53 n LYS 118 N -2.17 -7.36 0.23 0.43 5.02 -0.88 -0.85 118.16 112.59 3k53 n LYS 118 Ca 0.03 0.85 0.10 0.00 -2.02 0.00 0.00 58.31 57.27 3k53 n LYS 118 Cb 0.58 -5.87 0.55 0.00 -0.02 0.00 0.00 35.03 30.28 3k53 n LYS 118 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3k53 h PHE 119 N -2.44 0.00 0.17 2.13 3.57 -1.61 -2.94 116.94 115.82 3k53 h PHE 119 Ca -0.56 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 60.93 3k53 h PHE 119 Cb 1.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.11 3k53 h PHE 119 CO 0.51 0.21 -0.08 0.38 -2.23 0.00 0.00 178.31 177.09 3k53 h ASP 120 N 0.00 -0.20 0.00 0.41 2.03 -1.90 -2.47 116.42 114.29 3k53 h ASP 120 Ca -0.00 -0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 3k53 h ASP 120 Cb 0.58 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 3k53 h ASP 120 CO 0.03 0.10 0.02 -0.07 -1.03 0.00 0.00 179.24 178.29 3k53 h LEU 121 N -0.51 0.00 0.00 0.15 3.38 -1.91 -2.57 115.31 113.85 3k53 h LEU 121 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k53 h LEU 121 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3k53 h LEU 121 CO 0.04 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.46 3k53 n LEU 122 N -2.83 0.89 0.00 1.67 7.94 -0.95 -2.91 117.00 120.81 3k53 n LEU 122 Ca -0.02 0.45 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 3k53 n LEU 122 Cb 0.08 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 43.84 3k53 n LEU 122 CO 0.17 -0.20 0.44 0.29 -1.11 0.00 0.00 177.39 176.98 3k53 n LYS 123 N -1.09 0.00 -0.01 1.96 4.76 -1.12 -2.18 118.16 120.48 3k53 n LYS 123 Ca 0.00 0.31 -0.00 0.00 -2.87 0.00 0.00 58.31 55.75 3k53 n LYS 123 Cb 0.00 -1.59 -0.00 0.00 -1.84 0.00 0.00 35.03 31.60 3k53 n LYS 123 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3k53 h LYS 124 N 0.00 -0.01 0.00 1.97 3.64 -1.51 -3.27 116.57 117.39 3k53 h LYS 124 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k53 h LYS 124 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3k53 h LYS 124 CO 0.00 -0.01 0.12 0.36 -2.27 0.00 0.00 179.45 177.65 3k53 n LYS 125 N -2.99 0.00 -1.08 1.90 -0.00 -0.96 -4.73 118.16 110.31 3k53 n LYS 125 Ca -0.00 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 3k53 n LYS 125 Cb 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 35.03 33.42 3k53 n LYS 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3k53 n GLY 126 N -1.37 1.08 3.94 2.58 0.00 -1.08 -5.09 105.19 105.24 3k53 n GLY 126 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 3k53 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k53 s ALA 127 N -2.29 3.39 -0.32 4.61 0.00 -0.92 -5.00 121.76 121.23 3k53 s ALA 127 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3k53 s ALA 127 Cb 0.00 -2.45 0.13 0.00 0.00 0.00 0.00 23.12 20.80 3k53 s ALA 127 CO 0.00 -1.06 0.22 -1.59 0.00 0.00 0.00 175.76 173.33 3k53 s LYS 128 N -5.06 0.39 -0.23 0.00 -2.85 -1.26 -4.40 119.74 106.32 3k53 s LYS 128 Ca 0.58 -0.74 -0.08 0.00 -1.00 0.00 0.00 55.97 54.73 3k53 s LYS 128 Cb -0.11 -1.04 -0.04 0.00 -2.06 0.00 0.00 37.83 34.59 3k53 s LYS 128 CO 0.43 -1.11 0.09 0.42 0.10 0.00 0.00 175.35 175.28 3k53 s ILE 129 N 1.74 4.60 -1.29 3.79 1.01 -1.26 -4.39 121.20 125.40 3k53 s ILE 129 Ca 0.13 -0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 3k53 s ILE 129 Cb -0.18 -3.14 0.13 0.00 0.01 0.00 0.00 42.46 39.28 3k53 s ILE 129 CO -0.20 0.36 1.75 -0.67 0.00 0.00 0.00 174.94 176.18 3k53 n ASP 130 N 4.52 4.90 -0.33 3.58 -0.08 -0.41 -4.87 116.55 123.87 3k53 n ASP 130 Ca -0.16 -2.98 0.28 0.00 -1.51 0.00 0.00 54.79 50.42 3k53 n ASP 130 Cb 0.52 -1.60 0.52 0.00 2.34 0.00 0.00 41.12 42.89 3k53 n ASP 130 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3k53 h ILE 131 N 4.52 0.03 -0.39 5.18 2.04 -1.95 0.71 117.51 127.65 3k53 h ILE 131 Ca 0.41 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.25 3k53 h ILE 131 Cb 0.77 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3k53 h ILE 131 CO 1.50 0.01 0.19 0.50 0.00 0.00 0.00 178.15 180.34 3k53 h LYS 132 N 0.03 0.56 -0.36 2.37 3.64 -1.97 -1.49 116.57 119.35 3k53 h LYS 132 Ca 0.79 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.92 3k53 h LYS 132 Cb 1.98 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.70 3k53 h LYS 132 CO -0.79 0.49 -0.42 0.87 -2.27 0.00 0.00 179.45 177.33 3k53 h LYS 133 N 0.49 0.90 -0.62 1.90 1.57 -1.28 -2.62 116.57 116.91 3k53 h LYS 133 Ca 0.13 -0.49 0.03 0.00 -1.87 0.00 0.00 60.65 58.45 3k53 h LYS 133 Cb 0.11 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3k53 h LYS 133 CO -0.02 1.14 0.38 1.98 -0.57 0.00 0.00 179.45 182.37 3k53 h MET 134 N 0.73 0.74 -0.73 3.15 4.05 -1.03 0.17 114.93 122.01 3k53 h MET 134 Ca 0.05 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 3k53 h MET 134 Cb 1.01 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 3k53 h MET 134 CO 0.10 0.49 0.22 -0.09 0.23 0.00 0.00 176.91 177.86 3k53 h ARG 135 N 0.76 1.14 -0.56 0.39 1.12 -1.22 0.14 114.38 116.14 3k53 h ARG 135 Ca 0.25 -0.25 -0.09 0.00 -1.11 0.00 0.00 59.98 58.77 3k53 h ARG 135 Cb 0.01 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 29.79 3k53 h ARG 135 CO -0.10 0.97 -0.01 -0.22 -3.11 0.00 0.00 179.97 177.51 3k53 h LYS 136 N 1.08 1.00 0.17 0.20 3.64 -0.99 -1.97 116.57 119.70 3k53 h LYS 136 Ca 0.23 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3k53 h LYS 136 Cb 0.32 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3k53 h LYS 136 CO -0.01 1.00 -0.08 0.93 -2.27 0.00 0.00 179.45 179.03 3k53 h GLU 137 N 0.88 -0.22 0.00 1.90 4.39 -0.25 -3.30 114.58 117.99 3k53 h GLU 137 Ca 0.16 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.78 3k53 h GLU 137 Cb 0.56 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3k53 h GLU 137 CO 0.03 0.13 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.49 3k53 h LEU 138 N -0.59 0.00 0.00 1.33 3.38 -0.81 -3.41 115.31 115.22 3k53 h LEU 138 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k53 h LEU 138 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3k53 h LEU 138 CO 0.04 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.63 3k53 n GLY 139 N 0.68 0.66 3.18 0.83 0.00 -0.74 -0.74 105.19 109.05 3k53 n GLY 139 Ca 0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 3k53 n GLY 139 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k53 s VAL 140 N -2.00 0.88 0.69 1.61 -7.23 -1.24 -0.95 120.40 112.15 3k53 s VAL 140 Ca 0.00 -1.81 -0.16 0.00 -1.81 0.00 0.00 61.98 58.21 3k53 s VAL 140 Cb 0.00 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.42 3k53 s VAL 140 CO 0.00 -0.70 1.18 -2.16 -0.31 0.00 0.00 175.10 173.10 3k53 s PRO 141 N -3.31 2.43 -0.18 4.82 0.04 -1.26 -4.62 135.00 132.93 3k53 s PRO 141 Ca 0.09 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 3k53 s PRO 141 Cb 0.01 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.72 3k53 s PRO 141 CO -0.02 -1.59 0.00 0.08 0.04 0.00 0.00 177.00 175.52 3k53 s VAL 142 N -2.03 0.74 -0.24 -0.36 1.01 -1.26 -1.73 120.40 116.53 3k53 s VAL 142 Ca 0.73 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 3k53 s VAL 142 Cb -0.27 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3k53 s VAL 142 CO 0.42 -0.07 -0.03 -0.63 0.00 0.00 0.00 175.10 174.80 3k53 s ILE 143 N 1.77 3.33 0.27 2.22 -1.09 -0.32 -4.94 121.20 122.44 3k53 s ILE 143 Ca -0.00 -0.64 -0.29 0.00 -2.23 0.00 0.00 60.65 57.48 3k53 s ILE 143 Cb -0.16 -2.58 -0.09 0.00 -1.58 0.00 0.00 42.46 38.04 3k53 s ILE 143 CO -0.07 0.33 1.06 -2.84 -1.23 0.00 0.00 174.94 172.19 3k53 s PRO 144 N 1.45 4.68 0.20 2.79 0.02 -1.26 -0.99 135.00 141.89 3k53 s PRO 144 Ca 0.04 1.73 -0.09 0.00 0.02 0.00 0.00 61.00 62.70 3k53 s PRO 144 Cb -0.15 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.16 3k53 s PRO 144 CO -0.03 0.27 0.33 0.95 -0.33 0.00 0.00 177.00 178.19 3k53 s THR 145 N -1.18 0.03 -0.40 0.99 -4.23 0.19 -4.51 115.64 106.53 3k53 s THR 145 Ca 0.44 -1.53 0.08 0.00 -1.18 0.00 0.00 61.69 59.51 3k53 s THR 145 Cb -0.30 -2.12 0.26 0.00 1.34 0.00 0.00 72.50 71.68 3k53 s THR 145 CO 0.39 -0.12 0.60 -3.20 -0.54 0.00 0.00 174.62 171.74 3k53 n ASN 146 N -0.29 -0.07 -0.11 3.99 2.85 -0.32 -2.08 115.26 119.23 3k53 n ASN 146 Ca -0.03 -2.81 -0.03 0.00 -0.11 0.00 0.00 54.58 51.60 3k53 n ASN 146 Cb 0.63 -0.36 -0.03 0.00 1.24 0.00 0.00 39.78 41.27 3k53 n ASN 146 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k53 n ALA 147 N 1.25 -0.17 -0.27 5.20 0.00 -1.26 -0.04 120.51 125.22 3k53 n ALA 147 Ca 0.20 0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.93 3k53 n ALA 147 Cb 0.56 -0.01 0.20 0.00 0.00 0.00 0.00 19.45 20.21 3k53 n ALA 147 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3k53 h LYS 148 N 0.00 0.44 0.00 0.00 3.64 -1.96 0.52 116.57 119.21 3k53 h LYS 148 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3k53 h LYS 148 Cb 0.11 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3k53 h LYS 148 CO -0.24 0.29 -0.18 1.63 -2.27 0.00 0.00 179.45 178.68 3k53 n LYS 149 N -5.00 0.15 -0.80 1.90 4.76 0.94 -4.93 118.16 115.18 3k53 n LYS 149 Ca 0.15 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 3k53 n LYS 149 Cb 0.45 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3k53 n LYS 149 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k53 n GLY 150 N 1.40 0.67 3.67 0.72 0.00 0.17 -5.02 105.19 106.80 3k53 n GLY 150 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3k53 n GLY 150 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k53 s GLU 151 N -0.20 4.34 0.00 1.61 2.02 -1.21 -3.43 118.70 121.83 3k53 s GLU 151 Ca 0.00 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.29 3k53 s GLU 151 Cb 0.00 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.65 3k53 s GLU 151 CO 0.00 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.26 3k53 n GLY 152 N 3.25 3.50 0.23 -1.39 0.00 -1.26 -1.17 105.19 108.34 3k53 n GLY 152 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 3k53 n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k53 h VAL 153 N 0.00 0.90 -0.46 1.61 2.07 -1.87 0.20 116.25 118.70 3k53 h VAL 153 Ca 0.00 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3k53 h VAL 153 Cb 0.00 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3k53 h VAL 153 CO 0.00 0.09 0.07 -0.08 0.02 0.00 0.00 177.57 177.68 3k53 h GLU 154 N 0.52 0.72 0.00 1.57 4.57 -1.92 -0.33 114.58 119.70 3k53 h GLU 154 Ca 0.27 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 3k53 h GLU 154 Cb 0.22 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3k53 h GLU 154 CO -0.21 0.68 -0.38 1.49 -1.18 0.00 0.00 179.01 179.42 3k53 h GLU 155 N 0.69 0.00 -0.25 1.92 4.57 -1.63 -2.57 114.58 117.31 3k53 h GLU 155 Ca 0.15 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.22 3k53 h GLU 155 Cb 0.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3k53 h GLU 155 CO 0.00 0.38 -0.28 1.25 -1.18 0.00 0.00 179.01 179.19 3k53 h LEU 156 N 0.00 0.68 -0.74 1.64 5.85 0.98 -2.58 115.31 121.14 3k53 h LEU 156 Ca -0.00 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3k53 h LEU 156 Cb 0.81 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3k53 h LEU 156 CO 0.05 1.02 0.44 0.11 -0.34 0.00 0.00 178.44 179.72 3k53 h LYS 157 N 0.35 1.00 -0.10 1.25 1.57 -1.07 0.28 116.57 119.86 3k53 h LYS 157 Ca 0.04 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3k53 h LYS 157 Cb 0.84 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 3k53 h LYS 157 CO 0.07 0.72 -0.15 -0.09 -0.57 0.00 0.00 179.45 179.42 3k53 h ARG 158 N 1.01 -0.19 -0.34 3.15 2.43 -1.38 0.14 114.38 119.19 3k53 h ARG 158 Ca 0.26 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 3k53 h ARG 158 Cb -0.02 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3k53 h ARG 158 CO -0.05 -0.13 0.11 1.98 -1.51 0.00 0.00 179.97 180.37 3k53 h MET 159 N -0.20 0.53 0.25 0.20 4.05 -1.17 0.26 114.93 118.85 3k53 h MET 159 Ca 0.08 -0.11 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3k53 h MET 159 Cb 0.32 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 3k53 h MET 159 CO -0.21 0.55 -0.39 0.82 0.23 0.00 0.00 176.91 177.90 3k53 h ILE 160 N 0.40 0.20 -0.98 1.77 2.04 -0.52 0.20 117.51 120.63 3k53 h ILE 160 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 3k53 h ILE 160 Cb 0.24 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 3k53 h ILE 160 CO -0.00 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.77 3k53 h ALA 161 N -0.25 1.47 -0.14 1.87 0.00 -0.62 -0.23 119.26 121.34 3k53 h ALA 161 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k53 h ALA 161 Cb 0.68 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3k53 h ALA 161 CO -0.15 0.37 0.09 1.25 0.00 0.00 0.00 179.25 180.81 3k53 h LEU 162 N 1.09 0.17 -0.93 0.00 5.85 -0.05 -0.10 115.31 121.34 3k53 h LEU 162 Ca 0.43 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 3k53 h LEU 162 Cb 0.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3k53 h LEU 162 CO -0.18 0.16 0.13 -0.03 -0.34 0.00 0.00 178.44 178.18 3k53 h MET 163 N 0.17 0.91 -0.22 1.25 4.05 0.25 -1.82 114.93 119.52 3k53 h MET 163 Ca 0.05 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 3k53 h MET 163 Cb 0.02 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 3k53 h MET 163 CO -0.01 0.82 0.15 0.00 0.23 0.00 0.00 176.91 178.10 3k53 h ALA 164 N 1.27 0.28 0.00 0.39 0.00 -0.69 0.57 119.26 121.09 3k53 h ALA 164 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k53 h ALA 164 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3k53 h ALA 164 CO 0.00 -0.24 0.00 0.93 0.00 0.00 0.00 179.25 179.95 3k53 h GLU 165 N 0.30 0.00 0.00 0.00 5.08 -0.47 -3.45 114.58 116.03 3k53 h GLU 165 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3k53 h GLU 165 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3k53 h GLU 165 CO -0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.40 3k53 n GLY 166 N -1.10 0.65 1.29 -3.84 0.00 0.19 -4.96 105.19 97.42 3k53 n GLY 166 Ca -0.02 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.36 3k53 n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k53 n LYS 167 N -1.66 2.75 -5.15 1.61 5.02 -0.75 -4.92 118.16 115.06 3k53 n LYS 167 Ca 0.00 -2.61 -0.32 0.00 -2.02 0.00 0.00 58.31 53.36 3k53 n LYS 167 Cb 0.24 -1.54 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 3k53 n LYS 167 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k53 s VAL 168 N -1.00 2.42 -0.01 -0.18 1.01 -1.26 -4.94 120.40 116.44 3k53 s VAL 168 Ca 0.47 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.54 3k53 s VAL 168 Cb 0.24 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3k53 s VAL 168 CO 0.32 0.58 -0.14 0.42 0.00 0.00 0.00 175.10 176.27 3k53 s THR 169 N -0.55 3.05 0.19 3.92 -4.23 -1.26 -4.97 115.64 111.79 3k53 s THR 169 Ca 0.08 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 3k53 s THR 169 Cb -0.11 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 3k53 s THR 169 CO 0.00 0.46 0.19 0.42 -0.54 0.00 0.00 174.62 175.16 3k53 s THR 170 N -0.85 0.03 -0.47 3.99 -4.23 -1.26 -4.87 115.64 107.98 3k53 s THR 170 Ca 0.14 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.89 3k53 s THR 170 Cb -0.11 -2.26 0.22 0.00 1.34 0.00 0.00 72.50 71.69 3k53 s THR 170 CO 0.03 -0.14 0.87 -3.20 -0.54 0.00 0.00 174.62 171.65 3k53 n ASN 171 N -0.24 -2.86 -4.69 3.99 5.15 -0.13 -5.04 115.26 111.44 3k53 n ASN 171 Ca -0.01 -2.75 -0.53 0.00 -0.60 0.00 0.00 54.58 50.69 3k53 n ASN 171 Cb 0.64 1.59 -0.06 0.00 -0.53 0.00 0.00 39.78 41.42 3k53 n ASN 171 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3k53 n PRO 172 N 2.31 1.62 -1.80 1.20 -0.02 -1.24 -4.27 135.00 132.81 3k53 n PRO 172 Ca 0.13 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3k53 n PRO 172 Cb 0.61 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 3k53 n PRO 172 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3k53 s ILE 173 N 3.26 2.14 -0.14 4.25 -1.16 0.08 -4.97 121.20 124.66 3k53 s ILE 173 Ca 0.93 0.11 -0.02 0.00 -0.51 0.00 0.00 60.65 61.17 3k53 s ILE 173 Cb -0.89 -3.07 -0.02 0.00 0.61 0.00 0.00 42.46 39.09 3k53 s ILE 173 CO 0.56 0.02 -0.08 -0.63 -2.81 0.00 0.00 174.94 172.00 3k53 s ILE 174 N 0.30 3.54 0.60 2.00 1.01 -1.26 -4.91 121.20 122.47 3k53 s ILE 174 Ca 0.66 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 60.64 3k53 s ILE 174 Cb -0.47 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 3k53 s ILE 174 CO 0.43 0.51 1.16 -2.16 0.00 0.00 0.00 174.94 174.88 3k53 s PRO 175 N 0.36 3.01 -0.14 2.79 0.04 -1.26 -5.02 135.00 134.78 3k53 s PRO 175 Ca -0.07 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.63 3k53 s PRO 175 Cb -0.15 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3k53 s PRO 175 CO 0.04 -1.13 -0.17 1.03 0.04 0.00 0.00 177.00 176.80 3k53 s ARG 176 N -3.53 2.56 0.89 4.56 0.52 -1.26 -5.13 118.95 117.56 3k53 s ARG 176 Ca 0.73 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 55.14 3k53 s ARG 176 Cb -0.26 -2.18 0.17 0.00 0.52 0.00 0.00 34.95 33.20 3k53 s ARG 176 CO 0.34 -0.11 1.23 0.71 0.02 0.00 0.00 175.30 177.48 3k53 s TYR 177 N 1.11 1.78 0.99 -0.53 2.02 -1.26 -5.04 117.35 116.41 3k53 s TYR 177 Ca -0.02 0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.81 3k53 s TYR 177 Cb -0.14 -3.79 0.19 0.00 -0.40 0.00 0.00 41.96 37.81 3k53 s TYR 177 CO -0.06 -2.32 1.11 0.16 -1.57 0.00 0.00 175.55 172.87 3k53 s ASP 178 N -4.81 2.35 0.15 2.29 1.47 -1.26 -4.61 116.67 112.24 3k53 s ASP 178 Ca 0.71 1.96 -0.29 0.00 1.18 0.00 0.00 52.55 56.11 3k53 s ASP 178 Cb -0.05 -2.48 -0.03 0.00 -0.34 0.00 0.00 42.92 40.02 3k53 s ASP 178 CO 0.50 -3.42 1.56 -0.33 0.68 0.00 0.00 175.17 174.16 3k53 h GLU 179 N -2.09 -0.29 -0.77 2.11 5.08 -1.99 -0.85 114.58 115.79 3k53 h GLU 179 Ca -0.49 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.02 3k53 h GLU 179 Cb 1.29 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 3k53 h GLU 179 CO 0.45 -0.19 0.36 -0.44 -1.00 0.00 0.00 179.01 178.18 3k53 h ASP 180 N -0.30 0.41 0.06 1.42 5.19 -2.01 -1.29 116.42 119.91 3k53 h ASP 180 Ca 0.13 0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 3k53 h ASP 180 Cb 0.57 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 3k53 h ASP 180 CO -0.65 0.19 -0.37 0.40 -3.12 0.00 0.00 179.24 175.69 3k53 h ILE 181 N 0.55 1.30 -0.30 0.35 2.04 -1.65 -2.98 117.51 116.81 3k53 h ILE 181 Ca 0.41 -1.49 -0.11 0.00 1.00 0.00 0.00 64.86 64.67 3k53 h ILE 181 Cb 0.54 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3k53 h ILE 181 CO -0.34 0.46 -0.26 -0.33 0.00 0.00 0.00 178.15 177.67 3k53 h GLU 182 N 0.36 0.61 0.24 2.37 4.39 -0.11 -2.85 114.58 119.58 3k53 h GLU 182 Ca 0.04 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 3k53 h GLU 182 Cb 0.82 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3k53 h GLU 182 CO 0.07 0.81 -0.12 0.00 -1.16 0.00 0.00 179.01 178.62 3k53 h ARG 183 N 0.53 -0.31 0.00 2.33 3.08 -1.16 -0.30 114.38 118.55 3k53 h ARG 183 Ca 0.07 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3k53 h ARG 183 Cb 0.73 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 3k53 h ARG 183 CO 0.06 -0.18 -0.06 0.93 -1.07 0.00 0.00 179.97 179.65 3k53 h GLU 184 N -0.35 0.00 -0.26 0.04 4.39 -1.54 0.29 114.58 117.14 3k53 h GLU 184 Ca -0.03 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 3k53 h GLU 184 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3k53 h GLU 184 CO 0.05 0.06 -0.52 0.82 -1.16 0.00 0.00 179.01 178.26 3k53 h ILE 185 N 0.00 1.29 -0.12 3.13 2.04 -1.20 -2.26 117.51 120.39 3k53 h ILE 185 Ca -0.00 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.14 3k53 h ILE 185 Cb 0.12 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3k53 h ILE 185 CO 0.01 0.56 0.08 0.50 0.00 0.00 0.00 178.15 179.29 3k53 h LYS 186 N 0.59 0.15 0.00 2.37 3.64 0.13 -1.02 116.57 122.43 3k53 h LYS 186 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3k53 h LYS 186 Cb 1.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3k53 h LYS 186 CO 0.11 0.10 0.00 0.72 -2.27 0.00 0.00 179.45 178.11 3k53 n HIS 187 N -5.01 0.00 -0.26 1.91 8.25 -0.11 -1.11 115.22 118.89 3k53 n HIS 187 Ca -0.05 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.66 3k53 n HIS 187 Cb 0.03 -0.16 0.45 0.00 1.12 0.00 0.00 29.99 31.43 3k53 n HIS 187 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3k53 n ILE 188 N -1.05 -0.34 0.24 1.59 5.41 -0.86 0.26 119.36 124.61 3k53 n ILE 188 Ca 0.00 1.66 -0.16 0.00 1.00 0.00 0.00 62.75 65.26 3k53 n ILE 188 Cb 0.00 -2.67 -0.08 0.00 -0.71 0.00 0.00 39.64 36.18 3k53 n ILE 188 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3k53 h SER 189 N 0.00 -0.48 -0.19 4.38 0.02 -1.01 -1.93 113.55 114.34 3k53 h SER 189 Ca 0.67 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.69 3k53 h SER 189 Cb 1.73 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 64.33 3k53 h SER 189 CO -0.64 -0.34 -0.33 -0.33 -1.14 0.00 0.00 176.83 174.05 3k53 h GLU 190 N -0.56 -0.36 0.00 3.45 5.08 0.51 0.63 114.58 123.33 3k53 h GLU 190 Ca -0.05 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3k53 h GLU 190 Cb 0.43 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3k53 h GLU 190 CO 0.08 -0.24 0.07 1.28 -1.00 0.00 0.00 179.01 179.21 3k53 n LEU 191 N -5.41 0.51 -0.00 1.33 4.77 -0.40 -1.34 117.00 116.46 3k53 n LEU 191 Ca -0.02 0.72 0.06 0.00 -0.03 0.00 0.00 56.01 56.73 3k53 n LEU 191 Cb 0.33 -0.76 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 3k53 n LEU 191 CO 0.13 -0.89 -0.55 0.18 -1.33 0.00 0.00 177.39 174.93 3k53 n LEU 192 N -2.21 0.08 -0.31 2.23 4.77 0.20 -4.74 117.00 117.02 3k53 n LEU 192 Ca -0.01 -0.07 0.09 0.00 -0.03 0.00 0.00 56.01 55.99 3k53 n LEU 192 Cb 0.10 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.38 3k53 n LEU 192 CO 0.09 0.02 0.64 -1.14 -1.33 0.00 0.00 177.39 175.66 3k53 n ARG 193 N -1.81 -0.07 -3.59 3.23 0.63 0.19 -2.84 116.66 112.40 3k53 n ARG 193 Ca -0.02 1.33 -0.38 0.00 -0.92 0.00 0.00 57.85 57.87 3k53 n ARG 193 Cb 0.29 -2.05 -0.05 0.00 0.45 0.00 0.00 32.46 31.09 3k53 n ARG 193 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3k53 s GLY 194 N -4.24 3.09 0.18 5.14 0.00 -1.26 -4.88 107.32 105.35 3k53 s GLY 194 Ca -0.12 -3.83 -0.11 0.00 0.00 0.00 0.00 44.72 40.66 3k53 s GLY 194 CO 0.68 1.21 0.37 -0.51 0.00 0.00 0.00 173.10 174.85 3k53 s THR 195 N -1.30 0.05 -1.21 0.90 -4.23 -1.13 -5.02 115.64 103.70 3k53 s THR 195 Ca 0.28 -1.25 0.26 0.00 -1.18 0.00 0.00 61.69 59.80 3k53 s THR 195 Cb -0.08 -1.84 0.34 0.00 1.34 0.00 0.00 72.50 72.26 3k53 s THR 195 CO -0.12 -0.21 1.87 -0.81 -0.54 0.00 0.00 174.62 174.82 3k53 n PRO 196 N -0.27 0.19 -0.06 3.99 -0.04 -1.26 -3.24 135.00 134.30 3k53 n PRO 196 Ca -0.07 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.40 3k53 n PRO 196 Cb 0.63 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 3k53 n PRO 196 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3k53 h LEU 197 N 0.00 0.00 0.00 1.53 5.85 -1.90 -3.34 115.31 117.45 3k53 h LEU 197 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k53 h LEU 197 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3k53 h LEU 197 CO 0.00 0.65 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 3k53 n ALA 198 N -3.28 1.68 0.73 1.25 0.00 -1.24 0.30 120.51 119.95 3k53 n ALA 198 Ca -0.04 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.46 3k53 n ALA 198 Cb 0.16 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 3k53 n ALA 198 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3k53 n GLU 199 N -0.85 1.67 0.00 0.00 2.13 -1.20 -4.40 120.64 117.99 3k53 n GLU 199 Ca 0.03 -0.75 0.00 0.00 0.66 0.00 0.00 57.16 57.10 3k53 n GLU 199 Cb 0.01 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.44 3k53 n GLU 199 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3k53 n LYS 200 N -0.22 2.90 -3.90 5.31 5.02 0.15 -5.07 118.16 122.35 3k53 n LYS 200 Ca 0.06 -0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 56.12 3k53 n LYS 200 Cb 0.34 -0.53 -0.11 0.00 -0.02 0.00 0.00 35.03 34.71 3k53 n LYS 200 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3k53 s TYR 201 N -0.45 0.07 -0.17 2.13 2.02 -0.69 -4.95 117.35 115.32 3k53 s TYR 201 Ca 0.00 -0.16 -0.31 0.00 -0.37 0.00 0.00 57.07 56.23 3k53 s TYR 201 Cb 0.00 -0.07 -0.08 0.00 -0.40 0.00 0.00 41.96 41.41 3k53 s TYR 201 CO 0.00 -0.19 2.11 -2.30 -1.57 0.00 0.00 175.55 173.60 3k53 n PRO 202 N 1.93 2.02 -0.24 -1.71 -0.02 -1.26 -4.55 135.00 131.16 3k53 n PRO 202 Ca -0.20 0.64 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 3k53 n PRO 202 Cb 0.56 -2.95 0.17 0.00 -0.02 0.00 0.00 33.50 31.26 3k53 n PRO 202 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3k53 h ILE 203 N 6.54 0.54 -0.89 4.25 2.04 -1.95 0.88 117.51 128.92 3k53 h ILE 203 Ca -0.42 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3k53 h ILE 203 Cb 1.26 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3k53 h ILE 203 CO 0.96 0.05 0.57 -0.09 0.00 0.00 0.00 178.15 179.65 3k53 h ARG 204 N 0.28 1.05 0.54 2.37 9.65 -1.93 -1.28 114.38 125.06 3k53 h ARG 204 Ca 0.40 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 59.19 3k53 h ARG 204 Cb 0.66 -0.24 0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3k53 h ARG 204 CO -0.49 0.70 -0.26 2.35 2.80 0.00 0.00 179.97 185.07 3k53 h TRP 205 N 1.08 -0.67 -0.92 2.20 7.01 -1.15 -1.73 115.95 121.77 3k53 h TRP 205 Ca 0.37 -0.02 0.26 0.00 2.11 0.00 0.00 58.89 61.61 3k53 h TRP 205 Cb 0.06 0.22 -0.14 0.00 -2.10 0.00 0.00 29.16 27.20 3k53 h TRP 205 CO -0.02 -0.40 0.36 -0.07 -2.79 0.00 0.00 178.44 175.52 3k53 h LEU 206 N -1.17 0.20 0.33 0.65 3.38 -0.86 0.11 115.31 117.95 3k53 h LEU 206 Ca -0.07 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3k53 h LEU 206 Cb 0.57 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3k53 h LEU 206 CO 0.12 -0.12 -0.16 0.00 0.09 0.00 0.00 178.44 178.36 3k53 h ALA 207 N 1.79 -1.10 -0.92 1.53 0.00 -1.20 -2.41 119.26 116.95 3k53 h ALA 207 Ca 0.61 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.64 3k53 h ALA 207 Cb 1.27 0.20 -0.17 0.00 0.00 0.00 0.00 17.79 19.09 3k53 h ALA 207 CO -0.62 -1.07 -0.04 1.25 0.00 0.00 0.00 179.25 178.76 3k53 h LEU 208 N -0.45 -0.54 -0.06 0.00 5.85 -0.18 0.17 115.31 120.10 3k53 h LEU 208 Ca -0.04 0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3k53 h LEU 208 Cb 0.35 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3k53 h LEU 208 CO 0.07 -0.30 -0.12 0.11 -0.34 0.00 0.00 178.44 177.86 3k53 h LYS 209 N 0.03 -0.17 -0.54 1.25 1.79 -0.77 -2.48 116.57 115.68 3k53 h LYS 209 Ca 0.51 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 59.15 3k53 h LYS 209 Cb 0.96 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 3k53 h LYS 209 CO -0.87 -0.11 0.39 -0.07 -1.08 0.00 0.00 179.45 177.71 3k53 h LEU 210 N -0.17 0.03 -1.22 2.94 3.38 -0.44 0.50 115.31 120.32 3k53 h LEU 210 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3k53 h LEU 210 Cb 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3k53 h LEU 210 CO -0.16 0.02 0.00 -0.07 0.09 0.00 0.00 178.44 178.31 3k53 h LEU 211 N 0.04 0.00 -2.22 1.67 3.38 -1.19 -1.05 115.31 115.94 3k53 h LEU 211 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3k53 h LEU 211 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3k53 h LEU 211 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.52 3k53 n GLN 212 N -2.58 1.98 -3.51 1.13 6.02 0.13 -4.61 117.38 115.95 3k53 n GLN 212 Ca 0.01 -1.84 -0.22 0.00 -0.01 0.00 0.00 57.00 54.94 3k53 n GLN 212 Cb 0.22 -1.33 0.08 0.00 1.02 0.00 0.00 30.24 30.22 3k53 n GLN 212 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k53 n ARG 213 N 0.88 -7.36 -1.49 -1.09 1.74 -0.40 -4.82 116.66 104.12 3k53 n ARG 213 Ca 0.12 0.78 -0.47 0.00 -0.77 0.00 0.00 57.85 57.51 3k53 n ARG 213 Cb 0.44 -5.67 -0.06 0.00 -1.02 0.00 0.00 32.46 26.15 3k53 n ARG 213 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3k53 n ASP 214 N -2.76 2.31 -0.36 0.55 -0.08 -1.02 -4.85 116.55 110.35 3k53 n ASP 214 Ca -0.02 0.28 -0.04 0.00 -1.51 0.00 0.00 54.79 53.51 3k53 n ASP 214 Cb 0.57 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.69 3k53 n ASP 214 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3k53 n GLU 215 N 8.40 -0.27 0.12 -0.67 2.13 -1.26 -0.52 120.64 128.57 3k53 n GLU 215 Ca 0.39 1.39 0.12 0.00 0.66 0.00 0.00 57.16 59.73 3k53 n GLU 215 Cb 0.29 -2.06 0.46 0.00 0.27 0.00 0.00 31.44 30.40 3k53 n GLU 215 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3k53 n GLU 216 N -5.28 0.21 0.03 5.31 -0.58 -1.26 -2.80 120.64 116.27 3k53 n GLU 216 Ca 0.07 0.34 -0.21 0.00 -0.42 0.00 0.00 57.16 56.94 3k53 n GLU 216 Cb 0.33 -1.83 -0.14 0.00 -0.57 0.00 0.00 31.44 29.22 3k53 n GLU 216 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3k53 h VAL 217 N 0.00 1.18 -0.68 2.62 2.07 -1.18 -3.13 116.25 117.13 3k53 h VAL 217 Ca 0.00 -2.46 0.05 0.00 0.82 0.00 0.00 66.70 65.10 3k53 h VAL 217 Cb 0.49 2.88 -0.05 0.00 -1.52 0.00 0.00 31.29 33.09 3k53 h VAL 217 CO 0.00 0.72 0.40 0.40 0.02 0.00 0.00 177.57 179.11 3k53 h ILE 218 N -0.28 1.02 0.00 4.57 2.04 -1.33 0.33 117.51 123.87 3k53 h ILE 218 Ca -0.26 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3k53 h ILE 218 Cb 1.77 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3k53 h ILE 218 CO 0.10 0.14 0.00 0.29 0.00 0.00 0.00 178.15 178.68 3k53 n LYS 219 N -4.73 0.00 -0.02 2.37 5.02 -1.12 -2.13 118.16 117.55 3k53 n LYS 219 Ca 0.08 0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 56.54 3k53 n LYS 219 Cb 0.14 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 33.51 3k53 n LYS 219 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3k53 n LEU 220 N -1.51 0.81 0.15 -0.35 7.94 0.10 -3.51 117.00 120.63 3k53 n LEU 220 Ca 0.04 0.38 0.06 0.00 -1.11 0.00 0.00 56.01 55.38 3k53 n LEU 220 Cb 0.18 0.17 0.06 0.00 0.53 0.00 0.00 43.42 44.36 3k53 n LEU 220 CO 0.14 0.35 0.46 1.62 -1.11 0.00 0.00 177.39 178.85 3k53 h VAL 221 N 0.00 0.49 0.09 1.96 3.04 -0.61 -2.84 116.25 118.37 3k53 h VAL 221 Ca -0.28 -1.72 -0.28 0.00 -1.01 0.00 0.00 66.70 63.41 3k53 h VAL 221 Cb 1.95 2.18 0.02 0.00 -2.01 0.00 0.00 31.29 33.42 3k53 h VAL 221 CO 0.07 0.28 -1.16 -0.07 -1.01 0.00 0.00 177.57 175.68 3k53 h LEU 222 N 0.00 0.73 -0.09 3.16 3.38 -1.56 -0.42 115.31 120.51 3k53 h LEU 222 Ca -0.02 -0.66 -0.25 0.00 0.09 0.00 0.00 57.88 57.05 3k53 h LEU 222 Cb 1.26 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.79 3k53 h LEU 222 CO 0.04 1.47 -1.01 0.50 0.09 0.00 0.00 178.44 179.53 3k53 h LYS 223 N 0.24 0.51 0.10 1.13 3.64 -1.64 -3.35 116.57 117.20 3k53 h LYS 223 Ca -0.15 -0.57 -0.33 0.00 -1.27 0.00 0.00 60.65 58.33 3k53 h LYS 223 Cb 1.83 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.80 3k53 h LYS 223 CO 0.21 1.20 -1.76 1.88 -2.27 0.00 0.00 179.45 178.72 3k53 h TYR 224 N 0.28 0.37 -3.64 1.91 -1.99 -1.62 -3.47 116.97 108.82 3k53 h TYR 224 Ca -0.11 -0.27 -0.60 0.00 2.00 0.00 0.00 58.73 59.76 3k53 h TYR 224 Cb 1.66 -0.01 -0.20 0.00 2.00 0.00 0.00 36.73 40.17 3k53 h TYR 224 CO 0.08 1.46 -0.83 -0.51 -0.00 0.00 0.00 178.16 178.36 3k53 s LEU 225 N -6.81 2.36 1.05 3.88 1.02 -0.17 -4.90 118.68 115.13 3k53 s LEU 225 Ca -0.13 -0.78 -0.20 0.00 0.02 0.00 0.00 54.13 53.04 3k53 s LEU 225 Cb 0.07 -1.00 -0.01 0.00 0.02 0.00 0.00 46.19 45.27 3k53 s LEU 225 CO 0.82 0.08 -0.46 0.61 0.02 0.00 0.00 176.35 177.41 3k53 n GLY 226 N 0.71 -2.77 0.17 -3.19 0.00 -1.26 -3.83 105.19 95.02 3k53 n GLY 226 Ca -0.16 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.31 3k53 n GLY 226 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3k53 h GLN 227 N -1.61 0.00 -0.23 1.61 5.75 -1.88 -2.90 115.11 115.85 3k53 h GLN 227 Ca -0.47 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 57.84 3k53 h GLN 227 Cb 1.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.91 3k53 h GLN 227 CO 0.32 0.42 -0.57 1.49 -2.65 0.00 0.00 178.83 177.84 3k53 h GLU 228 N 0.00 0.79 -0.95 1.69 4.81 -1.98 -2.98 114.58 115.95 3k53 h GLU 228 Ca -0.00 -0.54 0.07 0.00 -0.13 0.00 0.00 59.36 58.75 3k53 h GLU 228 Cb 1.04 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.43 3k53 h GLU 228 CO 0.05 1.17 0.61 -0.22 -0.73 0.00 0.00 179.01 179.89 3k53 h LYS 229 N 0.53 1.06 0.00 1.92 1.63 -1.84 -1.22 116.57 118.65 3k53 h LYS 229 Ca -0.01 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.67 3k53 h LYS 229 Cb 1.18 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.56 3k53 h LYS 229 CO 0.12 0.70 -0.27 1.98 -3.45 0.00 0.00 179.45 178.54 3k53 h MET 230 N 1.09 0.00 0.06 1.90 4.05 -1.45 -2.86 114.93 117.72 3k53 h MET 230 Ca 0.42 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.60 3k53 h MET 230 Cb 0.19 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 3k53 h MET 230 CO -0.18 0.27 -1.08 -0.44 0.23 0.00 0.00 176.91 175.71 3k53 h ASP 231 N 0.00 0.26 0.28 1.39 3.32 -1.10 -1.99 116.42 118.58 3k53 h ASP 231 Ca -0.00 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 3k53 h ASP 231 Cb 0.63 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3k53 h ASP 231 CO 0.03 1.17 -0.22 -0.33 -1.72 0.00 0.00 179.24 178.17 3k53 h GLU 232 N 0.06 0.00 0.09 3.56 5.08 -1.16 -2.56 114.58 119.64 3k53 h GLU 232 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3k53 h GLU 232 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 3k53 h GLU 232 CO 0.16 0.22 -0.04 0.82 -1.00 0.00 0.00 179.01 179.17 3k53 h ILE 233 N 0.00 1.13 -0.92 3.13 1.08 -1.39 -3.37 117.51 117.18 3k53 h ILE 233 Ca -0.00 -1.37 0.17 0.00 -0.39 0.00 0.00 64.86 63.27 3k53 h ILE 233 Cb 0.42 1.94 -0.17 0.00 -3.07 0.00 0.00 36.82 35.94 3k53 h ILE 233 CO 0.03 0.31 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.46 3k53 h LEU 234 N -0.81 -0.98 -1.84 1.44 3.38 -0.94 0.78 115.31 116.34 3k53 h LEU 234 Ca -0.01 0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.25 3k53 h LEU 234 Cb 0.59 0.61 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3k53 h LEU 234 CO 0.02 -0.30 0.14 0.07 0.09 0.00 0.00 178.44 178.46 3k53 h LYS 235 N -0.01 0.21 -0.24 1.13 2.10 -1.68 0.10 116.57 118.18 3k53 h LYS 235 Ca 0.41 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.99 3k53 h LYS 235 Cb 0.65 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 3k53 h LYS 235 CO -0.94 0.14 -0.09 0.45 -2.00 0.00 0.00 179.45 177.01 3k53 h HIS 236 N 0.22 0.55 0.71 0.07 3.86 -1.01 0.17 115.15 119.72 3k53 h HIS 236 Ca 0.08 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 3k53 h HIS 236 Cb 0.07 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.41 3k53 h HIS 236 CO -0.00 0.73 -0.34 0.82 0.86 0.00 0.00 177.93 180.00 3k53 h ILE 237 N 0.21 0.10 -0.97 2.45 1.08 -1.05 -1.30 117.51 118.03 3k53 h ILE 237 Ca 0.06 -0.27 0.28 0.00 -0.39 0.00 0.00 64.86 64.54 3k53 h ILE 237 Cb 0.57 0.13 -0.14 0.00 -3.07 0.00 0.00 36.82 34.31 3k53 h ILE 237 CO 0.03 0.01 0.50 0.28 -0.69 0.00 0.00 178.15 178.28 3k53 h SER 238 N -1.20 0.44 0.05 1.72 0.02 -0.89 0.30 113.55 114.00 3k53 h SER 238 Ca -0.10 0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3k53 h SER 238 Cb 0.75 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3k53 h SER 238 CO 0.16 -0.08 -0.07 -0.08 -1.14 0.00 0.00 176.83 175.61 3k53 h GLU 239 N 0.36 -0.14 -0.28 3.45 4.57 -0.67 -2.19 114.58 119.68 3k53 h GLU 239 Ca 0.67 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.80 3k53 h GLU 239 Cb 1.44 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 3k53 h GLU 239 CO -0.59 -0.10 -0.05 1.25 -1.18 0.00 0.00 179.01 178.35 3k53 h LEU 240 N -0.15 0.53 -1.17 1.64 6.46 0.61 -2.83 115.31 120.40 3k53 h LEU 240 Ca 0.01 -0.35 0.23 0.00 -0.12 0.00 0.00 57.88 57.65 3k53 h LEU 240 Cb 0.16 -0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 39.84 3k53 h LEU 240 CO -0.04 0.76 0.62 -0.33 -0.62 0.00 0.00 178.44 178.83 3k53 h GLU 241 N 0.29 0.55 -0.43 1.25 5.08 -0.52 0.65 114.58 121.44 3k53 h GLU 241 Ca 0.07 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3k53 h GLU 241 Cb 0.52 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3k53 h GLU 241 CO 0.02 0.36 0.29 1.49 -1.00 0.00 0.00 179.01 180.18 3k53 h GLU 242 N 0.57 0.42 0.00 2.33 4.57 -1.13 -0.71 114.58 120.63 3k53 h GLU 242 Ca 0.59 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 3k53 h GLU 242 Cb 1.20 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3k53 h GLU 242 CO -0.36 0.28 0.00 1.63 -1.18 0.00 0.00 179.01 179.38 3k53 n LYS 243 N -4.48 0.36 -4.40 1.92 5.02 0.22 -4.77 118.16 112.03 3k53 n LYS 243 Ca 0.05 0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.17 3k53 n LYS 243 Cb 0.18 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.54 3k53 n LYS 243 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3k53 s TYR 244 N -2.60 0.94 -0.07 2.13 2.02 -0.27 -5.06 117.35 114.45 3k53 s TYR 244 Ca 0.25 -0.22 -0.13 0.00 -0.37 0.00 0.00 57.07 56.59 3k53 s TYR 244 Cb 0.18 -0.66 -0.10 0.00 -0.40 0.00 0.00 41.96 40.98 3k53 s TYR 244 CO 0.41 -0.08 0.51 1.57 -1.57 0.00 0.00 175.55 176.39 3k53 h LYS 245 N 6.29 -0.21 -7.30 -0.62 -0.00 -1.86 -3.46 116.57 109.41 3k53 h LYS 245 Ca -0.33 0.01 -0.50 0.00 -0.00 0.00 0.00 60.65 59.84 3k53 h LYS 245 Cb 1.17 0.05 0.16 0.00 -0.00 0.00 0.00 32.23 33.61 3k53 h LYS 245 CO 0.49 0.06 0.24 1.03 -0.00 0.00 0.00 179.45 181.28 3k53 s ARG 246 N -2.66 1.32 0.79 0.07 0.52 -1.26 -4.96 118.95 112.76 3k53 s ARG 246 Ca -0.08 1.07 -0.12 0.00 -0.52 0.00 0.00 55.73 56.08 3k53 s ARG 246 Cb 0.00 -1.80 0.07 0.00 0.52 0.00 0.00 34.95 33.74 3k53 s ARG 246 CO 0.27 -2.27 1.13 -2.14 0.02 0.00 0.00 175.30 172.32 3k53 s PRO 247 N -4.83 1.95 0.04 3.54 0.02 -1.26 -4.86 135.00 129.61 3k53 s PRO 247 Ca 0.64 1.44 -0.21 0.00 0.02 0.00 0.00 61.00 62.88 3k53 s PRO 247 Cb -0.19 -1.84 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 3k53 s PRO 247 CO 0.58 -1.91 1.41 -0.07 -0.33 0.00 0.00 177.00 176.67 3k53 h LEU 248 N -0.99 0.28 -1.30 -5.54 3.38 -1.93 -2.32 115.31 106.89 3k53 h LEU 248 Ca -0.45 -0.39 0.18 0.00 0.09 0.00 0.00 57.88 57.31 3k53 h LEU 248 Cb 1.26 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 3k53 h LEU 248 CO 0.48 0.61 0.60 -2.24 0.09 0.00 0.00 178.44 177.98 3k53 h ASP 249 N -0.05 0.59 -0.17 -0.43 2.03 -1.88 0.46 116.42 116.98 3k53 h ASP 249 Ca 0.03 0.06 -0.06 0.00 -0.73 0.00 0.00 57.03 56.33 3k53 h ASP 249 Cb 0.50 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 38.94 3k53 h ASP 249 CO 0.02 0.25 -0.12 0.40 -1.03 0.00 0.00 179.24 178.76 3k53 h ILE 250 N 0.60 1.33 -0.49 4.15 2.04 -1.90 -1.83 117.51 121.40 3k53 h ILE 250 Ca 0.49 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 3k53 h ILE 250 Cb 0.95 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 3k53 h ILE 250 CO -0.24 0.36 -0.06 1.62 0.00 0.00 0.00 178.15 179.84 3k53 h VAL 251 N 0.04 1.27 -0.03 1.67 3.04 -0.54 -0.12 116.25 121.58 3k53 h VAL 251 Ca 0.03 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 3k53 h VAL 251 Cb 0.63 1.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 3k53 h VAL 251 CO 0.03 0.41 0.02 0.40 -1.01 0.00 0.00 177.57 177.42 3k53 h ILE 252 N 0.77 1.03 -0.65 3.17 2.04 -0.18 -0.24 117.51 123.45 3k53 h ILE 252 Ca 0.13 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 3k53 h ILE 252 Cb 0.59 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3k53 h ILE 252 CO 0.04 0.03 0.39 0.00 0.00 0.00 0.00 178.15 178.60 3k53 h ALA 253 N 0.98 0.83 -0.38 1.87 0.00 -1.28 -0.11 119.26 121.18 3k53 h ALA 253 Ca 0.01 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3k53 h ALA 253 Cb 0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.48 3k53 h ALA 253 CO -0.00 0.31 -0.12 1.03 0.00 0.00 0.00 179.25 180.47 3k53 h SER 254 N 0.89 -0.44 0.78 0.00 0.87 -0.53 0.55 113.55 115.67 3k53 h SER 254 Ca 0.23 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 3k53 h SER 254 Cb -0.02 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3k53 h SER 254 CO -0.04 -0.16 -0.14 1.56 -0.53 0.00 0.00 176.83 177.52 3k53 h GLN 255 N -0.04 0.00 -0.48 2.24 4.20 -0.50 -2.12 115.11 118.42 3k53 h GLN 255 Ca 0.18 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 3k53 h GLN 255 Cb 0.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3k53 h GLN 255 CO -0.41 0.14 -0.18 -0.22 -0.67 0.00 0.00 178.83 177.50 3k53 h LYS 256 N 0.00 0.94 -0.13 1.46 3.64 0.96 -0.12 116.57 123.32 3k53 h LYS 256 Ca -0.00 -0.37 -0.17 0.00 -1.27 0.00 0.00 60.65 58.83 3k53 h LYS 256 Cb 0.57 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3k53 h LYS 256 CO 0.02 1.03 -0.64 1.88 -2.27 0.00 0.00 179.45 179.47 3k53 h TYR 257 N 0.82 0.64 -0.93 1.91 -1.99 -0.95 -1.71 116.97 114.77 3k53 h TYR 257 Ca 0.12 -0.26 0.03 0.00 2.00 0.00 0.00 58.73 60.62 3k53 h TYR 257 Cb 0.73 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 39.30 3k53 h TYR 257 CO 0.05 1.00 0.60 1.49 -0.00 0.00 0.00 178.16 181.30 3k53 h GLU 258 N 0.36 1.14 -0.34 4.88 4.81 -1.08 0.83 114.58 125.18 3k53 h GLU 258 Ca -0.01 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 3k53 h GLU 258 Cb 1.20 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3k53 h GLU 258 CO 0.12 0.76 -0.10 0.35 -0.73 0.00 0.00 179.01 179.41 3k53 h PHE 259 N 1.18 0.62 -0.26 0.92 3.57 -0.63 -3.16 116.94 119.18 3k53 h PHE 259 Ca 0.37 -0.09 -0.17 0.00 3.53 0.00 0.00 57.97 61.60 3k53 h PHE 259 Cb -0.01 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3k53 h PHE 259 CO -0.01 0.66 -0.51 -0.07 -2.23 0.00 0.00 178.31 176.14 3k53 h LEU 260 N 0.53 0.90 -0.42 0.59 3.38 -0.01 -2.07 115.31 118.22 3k53 h LEU 260 Ca 0.10 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.54 3k53 h LEU 260 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3k53 h LEU 260 CO 0.03 1.27 0.27 -0.33 0.09 0.00 0.00 178.44 179.77 3k53 h GLU 261 N 0.56 0.52 -0.02 1.13 5.08 -1.01 0.59 114.58 121.44 3k53 h GLU 261 Ca 0.01 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3k53 h GLU 261 Cb 1.12 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3k53 h GLU 261 CO 0.11 0.35 -0.45 1.96 -1.00 0.00 0.00 179.01 179.98 3k53 h GLN 262 N 0.54 0.05 -0.27 2.33 4.20 -1.61 -2.20 115.11 118.15 3k53 h GLN 262 Ca 0.16 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3k53 h GLN 262 Cb -0.03 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3k53 h GLN 262 CO -0.05 0.50 -0.31 1.25 -0.67 0.00 0.00 178.83 179.55 3k53 h LEU 263 N 0.05 0.74 -1.24 1.46 5.85 -0.53 -3.16 115.31 118.48 3k53 h LEU 263 Ca 0.00 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 3k53 h LEU 263 Cb 0.82 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3k53 h LEU 263 CO 0.06 1.08 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.79 3k53 h LEU 264 N 0.42 0.00 -0.79 2.25 3.38 0.39 -2.91 115.31 118.06 3k53 h LEU 264 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k53 h LEU 264 Cb 0.89 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3k53 h LEU 264 CO 0.08 0.38 0.50 0.03 0.09 0.00 0.00 178.44 179.51 3k53 h ARG 265 N 0.00 1.05 0.00 1.13 3.08 -1.36 -1.59 114.38 116.68 3k53 h ARG 265 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3k53 h ARG 265 Cb 0.68 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3k53 h ARG 265 CO 0.05 0.72 0.00 1.63 -1.07 0.00 0.00 179.97 181.30 3k53 n LYS 266 N -4.51 0.01 -0.10 0.04 5.02 -1.10 -3.57 118.16 113.96 3k53 n LYS 266 Ca 0.08 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3k53 n LYS 266 Cb 0.04 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3k53 n LYS 266 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3k53 n PHE 267 N -1.57 0.00 -0.39 2.13 -1.74 -1.02 -4.80 117.46 110.07 3k53 n PHE 267 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.90 3k53 n PHE 267 Cb 0.04 0.06 0.00 0.00 1.52 0.00 0.00 39.48 41.09 3k53 n PHE 267 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48