#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 1.99 -0.40 1.12 -7.23 -1.26 -4.98 120.40 109.64 3k53 s VAL 2 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 59.90 3k53 s VAL 2 Cb 0.00 -2.99 0.02 0.00 0.56 0.00 0.00 36.38 33.97 3k53 s VAL 2 CO 0.00 0.00 1.02 -0.22 -0.31 0.00 0.00 175.10 175.59 3k53 s LEU 3 N -5.92 3.87 -0.12 1.32 2.96 -1.26 -4.94 118.68 114.59 3k53 s LEU 3 Ca 0.74 0.59 -0.16 0.00 -0.22 0.00 0.00 54.13 55.09 3k53 s LEU 3 Cb -0.04 -3.40 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 3k53 s LEU 3 CO 0.53 -1.01 0.38 -0.54 -1.32 0.00 0.00 176.35 174.39 3k53 s LYS 4 N 3.86 4.23 0.02 1.98 -0.14 -1.26 -4.92 119.74 123.50 3k53 s LYS 4 Ca 0.43 0.28 -0.07 0.00 -1.36 0.00 0.00 55.97 55.25 3k53 s LYS 4 Cb -0.10 -3.40 -0.05 0.00 -1.68 0.00 0.00 37.83 32.60 3k53 s LYS 4 CO 0.23 0.28 0.29 0.95 -0.76 0.00 0.00 175.35 176.33 3k53 s THR 5 N 0.29 5.27 -0.21 2.17 -4.23 -1.26 -0.89 115.64 116.78 3k53 s THR 5 Ca 0.21 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.91 3k53 s THR 5 Cb -0.14 -3.58 0.06 0.00 1.34 0.00 0.00 72.50 70.18 3k53 s THR 5 CO 0.08 0.35 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.82 3k53 s VAL 6 N -1.32 0.97 -0.13 2.29 1.01 0.77 -1.40 120.40 122.59 3k53 s VAL 6 Ca 0.28 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 3k53 s VAL 6 Cb -0.13 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3k53 s VAL 6 CO 0.17 -0.17 0.59 0.00 0.00 0.00 0.00 175.10 175.68 3k53 s ALA 7 N 1.65 3.46 -0.20 5.51 0.00 -0.53 -0.79 121.76 130.87 3k53 s ALA 7 Ca -0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 3k53 s ALA 7 Cb -0.18 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 3k53 s ALA 7 CO -0.07 -0.21 0.21 -0.51 0.00 0.00 0.00 175.76 175.17 3k53 s LEU 8 N 1.10 4.20 0.06 0.00 1.43 -0.08 -1.02 118.68 124.37 3k53 s LEU 8 Ca 0.30 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 3k53 s LEU 8 Cb -0.16 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3k53 s LEU 8 CO 0.12 0.11 -0.05 0.54 0.23 0.00 0.00 176.35 177.30 3k53 s VAL 9 N 0.62 0.45 0.00 -1.59 0.11 -0.44 -1.04 120.40 118.51 3k53 s VAL 9 Ca 0.11 -1.64 0.00 0.00 -2.93 0.00 0.00 61.98 57.53 3k53 s VAL 9 Cb -0.12 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 3k53 s VAL 9 CO 0.02 -0.79 0.00 0.61 -3.33 0.00 0.00 175.10 171.61 3k53 n GLY 10 N 0.44 -0.06 3.78 6.54 0.00 -1.26 -0.85 105.19 113.78 3k53 n GLY 10 Ca -0.16 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 4.81 0.66 1.61 0.01 -1.18 -1.48 114.94 119.37 3k53 s ASN 11 Ca 0.00 1.85 -0.17 0.00 -0.71 0.00 0.00 52.86 53.83 3k53 s ASN 11 Cb 0.00 -2.53 -0.00 0.00 0.41 0.00 0.00 41.25 39.13 3k53 s ASN 11 CO 0.00 -1.83 1.19 -2.84 -1.51 0.00 0.00 177.10 172.11 3k53 s PRO 12 N -4.67 2.63 -1.44 -0.60 0.02 -1.26 -3.87 135.00 125.81 3k53 s PRO 12 Ca 0.62 1.73 -0.07 0.00 0.02 0.00 0.00 61.00 63.30 3k53 s PRO 12 Cb -0.18 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.49 3k53 s PRO 12 CO 0.51 -1.45 0.79 0.09 -0.33 0.00 0.00 177.00 176.62 3k53 n ASN 13 N -2.15 -2.76 -0.09 2.53 3.02 -1.26 -4.86 115.26 109.69 3k53 n ASN 13 Ca 0.13 -0.83 0.01 0.00 -0.03 0.00 0.00 54.58 53.86 3k53 n ASN 13 Cb 0.50 -3.79 0.01 0.00 -0.61 0.00 0.00 39.78 35.89 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 -4.48 0.13 0.00 2.41 0.24 -1.25 -4.95 118.33 110.43 3k53 n VAL 14 Ca -0.13 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 3k53 n VAL 14 Cb 0.60 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 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 0.06 0.90 0.23 7.63 0.00 -1.26 -4.67 105.19 108.08 3k53 n GLY 15 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 2.30 0.46 0.00 1.61 3.64 -1.92 -0.36 116.57 122.30 3k53 h LYS 16 Ca 0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3k53 h LYS 16 Cb 0.00 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3k53 h LYS 16 CO 0.00 0.31 -0.11 1.15 -2.27 0.00 0.00 179.45 178.53 3k53 h THR 17 N 0.48 0.90 0.00 1.00 2.02 -1.96 -1.70 112.91 113.65 3k53 h THR 17 Ca 0.28 -0.39 -0.17 0.00 0.77 0.00 0.00 66.41 66.89 3k53 h THR 17 Cb 0.27 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3k53 h THR 17 CO -0.24 0.11 -1.23 0.00 0.37 0.00 0.00 175.52 174.53 3k53 h THR 18 N 0.00 0.66 -0.50 3.16 1.03 -1.61 -3.00 112.91 112.65 3k53 h THR 18 Ca -0.00 -2.17 -0.13 0.00 -0.01 0.00 0.00 66.41 64.11 3k53 h THR 18 Cb 0.21 2.18 -0.01 0.00 -1.07 0.00 0.00 68.15 69.46 3k53 h THR 18 CO 0.01 0.38 -0.18 0.40 -0.01 0.00 0.00 175.52 176.12 3k53 h ILE 19 N 0.00 1.27 -0.99 0.00 1.08 -0.75 -1.34 117.51 116.78 3k53 h ILE 19 Ca -0.13 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.04 3k53 h ILE 19 Cb 1.59 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 36.35 3k53 h ILE 19 CO 0.06 0.47 0.65 0.15 -0.69 0.00 0.00 178.15 178.78 3k53 h PHE 20 N 0.87 1.21 -0.21 1.37 3.04 -1.37 0.16 116.94 122.01 3k53 h PHE 20 Ca 0.12 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 3k53 h PHE 20 Cb 0.76 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 3k53 h PHE 20 CO 0.05 0.68 -0.04 -0.91 -2.02 0.00 0.00 178.31 176.07 3k53 h ASN 21 N 1.23 0.41 0.29 0.41 2.35 -1.31 -0.43 115.58 118.53 3k53 h ASN 21 Ca 0.40 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3k53 h ASN 21 Cb 0.05 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3k53 h ASN 21 CO -0.14 0.66 -0.06 0.00 -1.65 0.00 0.00 177.43 176.25 3k53 h ALA 22 N 0.76 1.24 0.14 -0.83 0.00 -0.56 0.15 119.26 120.17 3k53 h ALA 22 Ca 0.06 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3k53 h ALA 22 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3k53 h ALA 22 CO 0.02 0.07 -1.60 -0.07 0.00 0.00 0.00 179.25 177.68 3k53 h LEU 23 N 0.00 0.47 0.00 0.00 3.38 -0.34 -3.41 115.31 115.41 3k53 h LEU 23 Ca -0.00 -0.89 -0.15 0.00 0.09 0.00 0.00 57.88 56.93 3k53 h LEU 23 Cb 0.22 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3k53 h LEU 23 CO 0.01 1.71 -2.06 0.35 0.09 0.00 0.00 178.44 178.54 3k53 n THR 24 N -3.76 0.62 -2.71 0.22 -2.24 -0.20 -4.40 114.28 101.80 3k53 n THR 24 Ca -0.26 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 3k53 n THR 24 Cb 0.98 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.44 2.49 0.16 3.38 0.00 0.52 -2.68 105.19 110.50 3k53 n GLY 25 Ca -0.15 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.51 3k53 n GLY 25 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k53 h LEU 26 N 0.00 0.00 -5.91 0.99 3.38 -1.95 -3.40 115.31 108.43 3k53 h LEU 26 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3k53 h LEU 26 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 3k53 h LEU 26 CO 0.00 0.44 1.84 0.54 0.09 0.00 0.00 178.44 181.35 3k53 n ARG 27 N -3.28 1.03 -4.39 1.13 3.00 -1.09 -4.84 116.66 108.21 3k53 n ARG 27 Ca 0.02 -1.09 -0.27 0.00 -0.01 0.00 0.00 57.85 56.49 3k53 n ARG 27 Cb 0.66 -2.33 -0.12 0.00 0.00 0.00 0.00 32.46 30.68 3k53 n ARG 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3k53 s GLN 28 N 4.51 1.59 0.01 5.56 -0.21 -1.26 -1.86 119.66 128.00 3k53 s GLN 28 Ca 0.29 -1.43 0.03 0.00 0.02 0.00 0.00 55.36 54.27 3k53 s GLN 28 Cb 0.07 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 32.15 3k53 s GLN 28 CO 0.03 0.42 -0.10 -1.58 -2.12 0.00 0.00 175.29 171.94 3k53 s HIS 29 N -1.51 0.89 -0.09 0.91 5.65 0.29 -4.98 115.29 116.44 3k53 s HIS 29 Ca 0.20 -0.23 0.04 0.00 0.25 0.00 0.00 55.06 55.32 3k53 s HIS 29 Cb -0.09 -0.56 0.00 0.00 -1.18 0.00 0.00 32.58 30.75 3k53 s HIS 29 CO 0.10 -0.01 -0.22 0.08 -0.65 0.00 0.00 174.74 174.04 3k53 s VAL 30 N -0.45 1.90 0.00 0.89 1.01 -1.26 -2.35 120.40 120.14 3k53 s VAL 30 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3k53 s VAL 30 Cb -0.05 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.68 3k53 s VAL 30 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3k53 n GLY 31 N 3.47 3.79 3.24 4.51 0.00 -0.67 -4.98 105.19 114.55 3k53 n GLY 31 Ca -0.19 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 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 1.69 0.16 0.43 1.61 2.20 -1.26 0.11 114.94 119.87 3k53 s ASN 32 Ca 0.00 -0.90 -0.23 0.00 -0.94 0.00 0.00 52.86 50.80 3k53 s ASN 32 Cb 0.00 0.36 -0.09 0.00 -2.00 0.00 0.00 41.25 39.52 3k53 s ASN 32 CO 0.00 -0.79 1.04 0.26 -2.94 0.00 0.00 177.10 174.68 3k53 s TRP 33 N -3.95 3.19 0.56 1.54 0.52 -0.29 -4.73 118.94 115.77 3k53 s TRP 33 Ca 0.14 1.62 -0.18 0.00 0.02 0.00 0.00 56.10 57.71 3k53 s TRP 33 Cb 0.05 -3.10 -0.10 0.00 -1.15 0.00 0.00 33.47 29.17 3k53 s TRP 33 CO -0.03 -0.67 0.42 -2.30 0.02 0.00 0.00 176.95 174.38 3k53 n PRO 34 N -0.35 0.42 -0.28 4.98 -0.02 -1.26 -2.60 135.00 135.90 3k53 n PRO 34 Ca 0.06 0.17 -0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3k53 n PRO 34 Cb 0.51 -1.58 -0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.90 0.04 3.09 -1.23 0.00 -1.26 -4.85 105.19 102.88 3k53 n GLY 35 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.30 0.20 -1.03 1.61 -7.23 -1.07 -5.06 120.40 107.51 3k53 s VAL 36 Ca 0.00 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 3k53 s VAL 36 Cb 0.00 -1.31 0.30 0.00 0.56 0.00 0.00 36.38 35.93 3k53 s VAL 36 CO 0.00 -0.89 1.92 0.41 -0.31 0.00 0.00 175.10 176.23 3k53 n THR 37 N 0.33 5.74 -4.65 5.32 -1.04 -1.26 -4.36 114.28 114.35 3k53 n THR 37 Ca -0.16 -5.60 -0.29 0.00 -2.04 0.00 0.00 64.05 55.97 3k53 n THR 37 Cb 0.60 -1.57 -0.17 0.00 -1.82 0.00 0.00 70.33 67.37 3k53 n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3k53 s VAL 38 N -4.06 1.57 0.50 12.58 1.01 -1.26 -5.04 120.40 125.70 3k53 s VAL 38 Ca 0.42 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 3k53 s VAL 38 Cb 0.22 -1.41 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 3k53 s VAL 38 CO -0.16 0.45 1.37 1.21 0.00 0.00 0.00 175.10 177.97 3k53 n GLU 39 N 3.97 1.91 -3.93 2.72 2.13 -1.26 -1.14 120.64 125.04 3k53 n GLU 39 Ca -0.20 0.69 -0.30 0.00 0.66 0.00 0.00 57.16 58.01 3k53 n GLU 39 Cb 0.52 -2.57 -0.16 0.00 0.27 0.00 0.00 31.44 29.50 3k53 n GLU 39 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3k53 s LYS 40 N -2.65 1.56 -0.13 5.31 2.20 0.29 -4.64 119.74 121.68 3k53 s LYS 40 Ca 0.67 -0.96 -0.06 0.00 -0.36 0.00 0.00 55.97 55.26 3k53 s LYS 40 Cb -0.44 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 3k53 s LYS 40 CO 0.53 -0.61 0.07 0.15 -0.36 0.00 0.00 175.35 175.14 3k53 s LYS 41 N 1.42 3.48 0.03 4.03 1.02 -1.26 -1.67 119.74 126.79 3k53 s LYS 41 Ca -0.05 -0.29 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 3k53 s LYS 41 Cb -0.19 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 3k53 s LYS 41 CO -0.06 0.59 0.23 -1.83 -0.92 0.00 0.00 175.35 173.35 3k53 s GLU 42 N -0.52 0.68 0.36 1.68 -1.05 -0.99 -1.56 118.70 117.31 3k53 s GLU 42 Ca 0.11 -0.50 -0.16 0.00 -0.15 0.00 0.00 54.97 54.27 3k53 s GLU 42 Cb -0.12 0.29 0.05 0.00 -0.44 0.00 0.00 34.13 33.91 3k53 s GLU 42 CO 0.02 -0.20 0.75 0.20 0.95 0.00 0.00 175.26 176.99 3k53 s GLY 43 N -1.85 0.37 -0.15 -3.83 0.00 -0.39 -0.55 107.32 100.92 3k53 s GLY 43 Ca -0.08 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 43.83 3k53 s GLY 43 CO -0.02 -0.32 0.13 -0.42 0.00 0.00 0.00 173.10 172.47 3k53 s ILE 44 N -2.65 5.45 -0.04 0.90 1.01 -0.78 0.28 121.20 125.37 3k53 s ILE 44 Ca 0.16 0.19 0.05 0.00 0.00 0.00 0.00 60.65 61.06 3k53 s ILE 44 Cb -0.05 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 3k53 s ILE 44 CO 0.11 0.54 -0.19 -0.32 0.00 0.00 0.00 174.94 175.08 3k53 s MET 45 N -0.43 2.38 -0.04 2.79 -2.45 0.84 -4.22 119.30 118.17 3k53 s MET 45 Ca 0.12 -0.80 0.03 0.00 -1.25 0.00 0.00 55.69 53.79 3k53 s MET 45 Cb -0.12 -2.24 0.00 0.00 1.25 0.00 0.00 34.83 33.72 3k53 s MET 45 CO 0.01 0.57 -0.13 -2.00 1.05 0.00 0.00 175.02 174.52 3k53 s GLU 46 N -0.62 1.43 -0.13 4.11 2.12 -1.26 -0.39 118.70 123.97 3k53 s GLU 46 Ca 0.09 -0.46 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 3k53 s GLU 46 Cb -0.11 -1.26 0.06 0.00 0.26 0.00 0.00 34.13 33.08 3k53 s GLU 46 CO 0.00 0.17 0.28 -0.47 -0.54 0.00 0.00 175.26 174.70 3k53 s TYR 47 N 0.15 -0.42 -1.46 5.30 5.04 -0.26 -4.91 117.35 120.78 3k53 s TYR 47 Ca -0.04 0.96 -0.05 0.00 -2.44 0.00 0.00 57.07 55.50 3k53 s TYR 47 Cb -0.11 0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.28 3k53 s TYR 47 CO 0.02 -0.32 0.58 0.54 -1.34 0.00 0.00 175.55 175.03 3k53 n ARG 48 N 4.84 -3.69 -0.61 4.97 3.00 -1.26 -0.37 116.66 123.53 3k53 n ARG 48 Ca -0.15 0.44 0.00 0.00 -0.01 0.00 0.00 57.85 58.13 3k53 n ARG 48 Cb 0.51 -4.81 0.00 0.00 0.00 0.00 0.00 32.46 28.17 3k53 n ARG 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3k53 n GLU 49 N -4.41 -0.21 -3.38 5.56 -0.58 -1.26 -4.96 120.64 111.40 3k53 n GLU 49 Ca -0.20 0.05 -0.36 0.00 -0.42 0.00 0.00 57.16 56.23 3k53 n GLU 49 Cb 0.63 -4.32 -0.06 0.00 -0.57 0.00 0.00 31.44 27.13 3k53 n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3k53 s LYS 50 N -0.98 3.99 0.06 3.49 1.02 0.50 -5.10 119.74 122.71 3k53 s LYS 50 Ca 0.00 0.49 0.09 0.00 0.02 0.00 0.00 55.97 56.57 3k53 s LYS 50 Cb 0.00 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 3k53 s LYS 50 CO 0.00 0.53 -0.25 -1.21 -0.92 0.00 0.00 175.35 173.50 3k53 s GLU 51 N -1.74 1.64 -0.01 1.68 2.02 -1.26 -1.11 118.70 119.92 3k53 s GLU 51 Ca 0.35 -1.12 0.02 0.00 0.02 0.00 0.00 54.97 54.24 3k53 s GLU 51 Cb -0.16 -1.86 -0.00 0.00 0.10 0.00 0.00 34.13 32.21 3k53 s GLU 51 CO 0.18 0.47 -0.08 -0.06 0.02 0.00 0.00 175.26 175.79 3k53 s PHE 52 N -0.86 0.80 -0.22 1.61 0.08 0.48 -4.14 117.98 115.74 3k53 s PHE 52 Ca 0.11 -0.17 -0.23 0.00 0.12 0.00 0.00 56.93 56.76 3k53 s PHE 52 Cb -0.10 -0.55 -0.01 0.00 -0.57 0.00 0.00 43.02 41.79 3k53 s PHE 52 CO 0.03 -0.05 0.74 -1.17 -0.10 0.00 0.00 175.22 174.67 3k53 s LEU 53 N -0.01 4.11 -0.26 -0.37 2.96 -0.06 -0.11 118.68 124.94 3k53 s LEU 53 Ca 0.00 0.96 -0.09 0.00 -0.22 0.00 0.00 54.13 54.78 3k53 s LEU 53 Cb -0.05 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 3k53 s LEU 53 CO -0.00 -0.41 0.13 -0.69 -1.32 0.00 0.00 176.35 174.07 3k53 s VAL 54 N 2.41 4.89 -0.20 1.68 1.01 0.14 -0.16 120.40 130.17 3k53 s VAL 54 Ca 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 3k53 s VAL 54 Cb -0.16 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3k53 s VAL 54 CO 0.09 0.30 -0.04 -0.69 0.00 0.00 0.00 175.10 174.77 3k53 s VAL 55 N 1.58 3.60 -0.37 2.92 1.01 0.03 -1.26 120.40 127.91 3k53 s VAL 55 Ca 0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 3k53 s VAL 55 Cb -0.15 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3k53 s VAL 55 CO 0.07 0.44 0.54 -0.62 0.00 0.00 0.00 175.10 175.53 3k53 s ASP 56 N 1.05 6.32 0.40 3.32 -1.08 -0.60 -0.90 116.67 125.18 3k53 s ASP 56 Ca 0.01 -0.10 -0.19 0.00 -0.52 0.00 0.00 52.55 51.75 3k53 s ASP 56 Cb -0.15 -2.28 -0.10 0.00 -1.46 0.00 0.00 42.92 38.93 3k53 s ASP 56 CO 0.00 -0.54 0.89 -0.76 0.52 0.00 0.00 175.17 175.28 3k53 s LEU 57 N 2.46 3.98 0.34 -1.34 1.43 -0.21 -4.31 118.68 121.04 3k53 s LEU 57 Ca 0.19 1.57 -0.29 0.00 -1.03 0.00 0.00 54.13 54.58 3k53 s LEU 57 Cb -0.15 -4.41 -0.11 0.00 0.03 0.00 0.00 46.19 41.56 3k53 s LEU 57 CO 0.14 -0.31 1.38 -2.84 0.23 0.00 0.00 176.35 174.95 3k53 s PRO 58 N -3.12 4.26 0.19 1.29 0.02 -1.26 -4.79 135.00 131.59 3k53 s PRO 58 Ca 0.60 2.35 -0.33 0.00 0.02 0.00 0.00 61.00 63.64 3k53 s PRO 58 Cb -0.09 -3.04 -0.14 0.00 0.02 0.00 0.00 34.50 31.25 3k53 s PRO 58 CO 0.14 -0.33 1.43 0.41 -0.33 0.00 0.00 177.00 178.33 3k53 n GLY 59 N 0.75 0.78 3.14 0.52 0.00 -1.26 -4.80 105.19 104.32 3k53 n GLY 59 Ca 0.01 0.58 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 3k53 n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k53 s ILE 60 N 0.32 0.15 -0.12 -0.61 -4.36 -0.55 -4.66 121.20 111.37 3k53 s ILE 60 Ca 0.74 -1.24 0.20 0.00 -0.26 0.00 0.00 60.65 60.09 3k53 s ILE 60 Cb -0.72 -1.13 -0.27 0.00 1.25 0.00 0.00 42.46 41.59 3k53 s ILE 60 CO 0.46 -0.68 0.35 -1.22 0.24 0.00 0.00 174.94 174.08 3k53 n TYR 61 N 0.41 0.13 -3.83 1.37 4.01 -1.26 -3.12 117.16 114.87 3k53 n TYR 61 Ca -0.17 0.04 -0.10 0.00 -0.16 0.00 0.00 57.90 57.51 3k53 n TYR 61 Cb 0.60 -0.80 -0.01 0.00 -0.31 0.00 0.00 39.34 38.82 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 -2.56 -1.39 -2.57 7.72 3.41 -1.26 -3.80 113.62 113.16 3k53 n SER 62 Ca -0.18 -2.43 -0.27 0.00 -0.26 0.00 0.00 58.87 55.73 3k53 n SER 62 Cb 0.87 2.45 -0.01 0.00 -0.26 0.00 0.00 64.21 67.26 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 4.78 0.00 1.04 4.77 -1.26 -4.79 117.00 121.54 3k53 n LEU 63 Ca -0.02 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.67 3k53 n LEU 63 Cb 0.47 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3k53 n LEU 63 CO 0.23 2.24 0.00 0.35 -1.33 0.00 0.00 177.39 178.88 3k53 n THR 64 N -0.44 0.00 -1.93 -5.08 -2.24 -1.26 -5.01 114.28 98.32 3k53 n THR 64 Ca 0.38 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.07 3k53 n THR 64 Cb 0.60 -1.50 0.10 0.00 -2.10 0.00 0.00 70.33 67.42 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 4.19 0.31 6.98 0.00 -1.26 -4.33 120.51 123.40 3k53 n ALA 65 Ca 0.00 -3.46 0.11 0.00 0.00 0.00 0.00 53.44 50.09 3k53 n ALA 65 Cb 0.00 -0.39 0.19 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.80 0.44 -3.53 0.00 8.25 -1.26 -4.93 115.22 113.39 3k53 n HIS 66 Ca 0.30 -0.24 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 3k53 n HIS 66 Cb 0.86 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.93 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 -1.43 -0.43 0.04 0.41 1.04 -1.26 -5.06 113.70 107.01 3k53 s SER 67 Ca 0.36 -0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.51 3k53 s SER 67 Cb 0.21 0.53 -0.14 0.00 0.10 0.00 0.00 66.02 66.72 3k53 s SER 67 CO 0.29 -0.87 1.44 0.40 0.98 0.00 0.00 173.24 175.48 3k53 h ILE 68 N 2.32 1.28 -0.99 -1.02 2.04 -1.98 -2.87 117.51 116.29 3k53 h ILE 68 Ca -0.33 -0.93 0.12 0.00 1.00 0.00 0.00 64.86 64.71 3k53 h ILE 68 Cb 1.27 1.66 -0.08 0.00 -0.74 0.00 0.00 36.82 38.93 3k53 h ILE 68 CO 0.42 0.27 0.63 0.44 0.00 0.00 0.00 178.15 179.90 3k53 h ASP 69 N -0.08 0.91 0.24 1.72 3.32 -1.94 -0.52 116.42 120.06 3k53 h ASP 69 Ca 0.03 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3k53 h ASP 69 Cb 0.43 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3k53 h ASP 69 CO 0.01 0.50 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.58 3k53 h GLU 70 N 0.98 -0.31 -0.80 3.56 5.08 -1.85 -2.51 114.58 118.74 3k53 h GLU 70 Ca 0.48 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.91 3k53 h GLU 70 Cb 0.47 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3k53 h GLU 70 CO -0.24 -0.13 0.52 -0.07 -1.00 0.00 0.00 179.01 178.09 3k53 h LEU 71 N -0.42 0.80 0.03 1.33 3.38 -1.15 -0.52 115.31 118.75 3k53 h LEU 71 Ca -0.03 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3k53 h LEU 71 Cb 0.32 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3k53 h LEU 71 CO 0.05 0.53 -0.10 0.40 0.09 0.00 0.00 178.44 179.41 3k53 h ILE 72 N 0.92 0.74 -0.48 1.22 1.08 -0.89 0.57 117.51 120.67 3k53 h ILE 72 Ca 0.33 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.80 3k53 h ILE 72 Cb 0.15 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 3k53 h ILE 72 CO -0.11 0.00 0.29 0.00 -0.69 0.00 0.00 178.15 177.64 3k53 h ALA 73 N 0.75 0.61 -0.28 1.87 0.00 -0.93 -0.97 119.26 120.31 3k53 h ALA 73 Ca 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3k53 h ALA 73 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3k53 h ALA 73 CO -0.08 0.10 -0.12 0.07 0.00 0.00 0.00 179.25 179.21 3k53 h ARG 74 N 0.64 0.58 -0.55 0.00 0.11 -0.83 -2.37 114.38 111.95 3k53 h ARG 74 Ca 0.17 -0.24 -0.05 0.00 0.10 0.00 0.00 59.98 59.96 3k53 h ARG 74 Cb -0.01 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.02 3k53 h ARG 74 CO -0.03 0.81 0.16 -0.91 0.10 0.00 0.00 179.97 180.10 3k53 h ASN 75 N 0.32 0.82 -0.60 0.08 -0.26 -0.81 0.17 115.58 115.29 3k53 h ASN 75 Ca 0.06 -0.21 0.02 0.00 -0.56 0.00 0.00 56.30 55.61 3k53 h ASN 75 Cb 0.62 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.64 3k53 h ASN 75 CO 0.04 0.81 0.40 0.15 -1.06 0.00 0.00 177.43 177.77 3k53 h PHE 76 N 0.78 0.73 0.05 1.19 3.57 -1.15 -0.94 116.94 121.17 3k53 h PHE 76 Ca 0.18 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3k53 h PHE 76 Cb 0.30 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3k53 h PHE 76 CO 0.02 0.45 -0.03 0.82 -2.23 0.00 0.00 178.31 177.34 3k53 h ILE 77 N 0.78 0.50 -0.78 1.41 1.08 -0.84 -1.61 117.51 118.05 3k53 h ILE 77 Ca 0.23 -1.28 0.13 0.00 -0.39 0.00 0.00 64.86 63.54 3k53 h ILE 77 Cb -0.03 0.92 -0.09 0.00 -3.07 0.00 0.00 36.82 34.55 3k53 h ILE 77 CO -0.05 0.16 0.38 -0.07 -0.69 0.00 0.00 178.15 177.87 3k53 h LEU 78 N -1.00 0.45 0.00 1.44 3.38 -0.67 0.63 115.31 119.54 3k53 h LEU 78 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k53 h LEU 78 Cb 0.32 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3k53 h LEU 78 CO 0.01 0.21 0.00 0.47 0.09 0.00 0.00 178.44 179.23 3k53 n ASP 79 N -4.90 0.00 -1.79 -0.43 8.00 -0.36 -4.85 116.55 112.22 3k53 n ASP 79 Ca 0.14 -0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.25 3k53 n ASP 79 Cb 0.37 -0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.18 0.13 0.32 0.44 0.00 0.22 -4.93 105.19 101.19 3k53 n GLY 80 Ca 0.09 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.52 1.03 -4.23 1.61 4.13 -0.60 -4.78 115.26 111.89 3k53 n ASN 81 Ca -0.03 -1.28 -0.34 0.00 1.68 0.00 0.00 54.58 54.61 3k53 n ASN 81 Cb 0.55 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.64 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 -2.06 2.55 0.10 5.41 0.00 -1.26 -4.76 121.76 121.74 3k53 s ALA 82 Ca 0.39 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3k53 s ALA 82 Cb 0.21 -1.37 -0.24 0.00 0.00 0.00 0.00 23.12 21.72 3k53 s ALA 82 CO 0.36 -0.28 1.23 -0.44 0.00 0.00 0.00 175.76 176.63 3k53 h ASP 83 N 7.81 0.16 -3.95 0.00 3.32 -1.54 -3.45 116.42 118.76 3k53 h ASP 83 Ca -0.40 -0.17 -0.25 0.00 0.02 0.00 0.00 57.03 56.23 3k53 h ASP 83 Cb 1.16 -0.05 -0.27 0.00 0.22 0.00 0.00 39.33 40.39 3k53 h ASP 83 CO 0.61 1.13 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.84 3k53 s VAL 84 N -2.69 0.13 -0.13 -1.35 1.01 -0.75 -4.83 120.40 111.80 3k53 s VAL 84 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3k53 s VAL 84 Cb 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.34 3k53 s VAL 84 CO 0.84 -0.04 -0.18 -0.63 0.00 0.00 0.00 175.10 175.09 3k53 s ILE 85 N -0.25 1.75 -0.26 2.22 1.01 -0.29 -1.45 121.20 123.94 3k53 s ILE 85 Ca -0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 3k53 s ILE 85 Cb -0.02 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.88 3k53 s ILE 85 CO -0.00 0.49 0.00 -0.69 0.00 0.00 0.00 174.94 174.74 3k53 s VAL 86 N 0.98 3.47 -0.42 2.92 1.01 -0.19 -0.53 120.40 127.64 3k53 s VAL 86 Ca -0.05 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 3k53 s VAL 86 Cb -0.15 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.53 3k53 s VAL 86 CO -0.03 0.22 0.60 -0.62 0.00 0.00 0.00 175.10 175.28 3k53 s ASP 87 N 1.44 6.31 -0.24 3.32 -1.08 0.50 -1.32 116.67 125.61 3k53 s ASP 87 Ca 0.03 -0.31 -0.21 0.00 -0.52 0.00 0.00 52.55 51.53 3k53 s ASP 87 Cb -0.16 -2.30 -0.02 0.00 -1.46 0.00 0.00 42.92 38.98 3k53 s ASP 87 CO -0.01 -0.71 0.67 -0.63 0.52 0.00 0.00 175.17 175.00 3k53 s ILE 88 N 2.69 4.97 -0.03 4.11 -1.09 -0.03 0.14 121.20 131.95 3k53 s ILE 88 Ca 0.21 1.23 0.06 0.00 -2.23 0.00 0.00 60.65 59.92 3k53 s ILE 88 Cb -0.15 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 3k53 s ILE 88 CO 0.17 0.03 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.00 3k53 s VAL 89 N 2.39 1.83 -0.59 2.92 1.01 0.63 -4.26 120.40 124.34 3k53 s VAL 89 Ca 0.29 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 3k53 s VAL 89 Cb -0.16 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.72 3k53 s VAL 89 CO 0.09 0.52 1.19 -0.62 0.00 0.00 0.00 175.10 176.28 3k53 s ASP 90 N -0.35 6.42 0.54 3.32 -1.08 -1.26 -0.88 116.67 123.38 3k53 s ASP 90 Ca 0.03 0.05 0.31 0.00 -0.52 0.00 0.00 52.55 52.43 3k53 s ASP 90 Cb -0.11 -2.55 1.47 0.00 -1.46 0.00 0.00 42.92 40.28 3k53 s ASP 90 CO 0.01 -1.50 1.90 0.28 0.52 0.00 0.00 175.17 176.38 3k53 h SER 91 N 9.57 0.00 0.39 -0.34 0.02 -1.63 -0.42 113.55 121.13 3k53 h SER 91 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3k53 h SER 91 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3k53 h SER 91 CO 1.19 0.00 -0.03 0.35 -1.14 0.00 0.00 176.83 177.20 3k53 n THR 92 N -4.28 0.00 -2.92 -2.27 -2.24 -1.26 -4.18 114.28 97.13 3k53 n THR 92 Ca 0.17 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.81 3k53 n THR 92 Cb 0.92 -0.38 0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 2.90 -1.53 -0.94 0.00 3.38 -1.72 -2.72 115.31 114.67 3k53 h LEU 94 Ca -0.03 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3k53 h LEU 94 Cb 1.08 0.56 -0.11 0.00 0.09 0.00 0.00 40.66 42.27 3k53 h LEU 94 CO 0.36 -0.58 -0.54 0.80 0.09 0.00 0.00 178.44 178.56 3k53 n MET 95 N -5.50 -0.40 -0.05 1.13 1.56 -1.26 -0.31 117.12 112.29 3k53 n MET 95 Ca -0.09 1.42 -0.08 0.00 -0.27 0.00 0.00 57.70 58.68 3k53 n MET 95 Cb 0.42 -2.09 -0.02 0.00 2.15 0.00 0.00 33.22 33.68 3k53 n MET 95 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 3k53 h ARG 96 N 0.00 0.04 -0.45 2.12 9.65 -1.98 -3.22 114.38 120.55 3k53 h ARG 96 Ca 0.16 -0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.94 3k53 h ARG 96 Cb 0.39 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 3k53 h ARG 96 CO -0.88 0.03 -0.11 -0.91 2.80 0.00 0.00 179.97 180.89 3k53 h ASN 97 N 0.04 0.88 0.68 -3.80 4.21 -0.85 -3.25 115.58 113.49 3k53 h ASN 97 Ca 0.10 -0.36 0.00 0.00 1.21 0.00 0.00 56.30 57.25 3k53 h ASN 97 Cb 0.14 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.10 3k53 h ASN 97 CO -0.19 1.04 0.00 0.18 -1.29 0.00 0.00 177.43 177.16 3k53 n LEU 98 N -4.26 0.52 -0.18 1.61 4.77 0.57 -2.93 117.00 117.11 3k53 n LEU 98 Ca -0.00 0.63 -0.07 0.00 -0.03 0.00 0.00 56.01 56.54 3k53 n LEU 98 Cb 0.38 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3k53 n LEU 98 CO 0.44 -0.50 1.09 0.15 -1.33 0.00 0.00 177.39 177.25 3k53 h PHE 99 N 0.00 0.66 -0.24 -1.77 3.57 -1.59 0.83 116.94 118.40 3k53 h PHE 99 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 3k53 h PHE 99 Cb 0.34 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3k53 h PHE 99 CO 0.00 0.41 -0.17 1.25 -2.23 0.00 0.00 178.31 177.57 3k53 h LEU 100 N 0.71 0.40 -0.16 0.59 5.85 -1.63 -1.45 115.31 119.62 3k53 h LEU 100 Ca 0.20 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3k53 h LEU 100 Cb -0.07 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3k53 h LEU 100 CO -0.05 0.59 0.09 0.74 -0.34 0.00 0.00 178.44 179.47 3k53 h THR 101 N 0.38 1.01 -0.18 1.05 2.02 -1.20 -0.70 112.91 115.30 3k53 h THR 101 Ca 0.07 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3k53 h THR 101 Cb 0.52 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3k53 h THR 101 CO 0.03 0.03 0.09 -0.07 0.37 0.00 0.00 175.52 175.97 3k53 h LEU 102 N 0.18 0.13 -1.00 2.58 4.07 -0.44 0.14 115.31 120.97 3k53 h LEU 102 Ca 0.06 0.01 0.22 0.00 0.08 0.00 0.00 57.88 58.25 3k53 h LEU 102 Cb -0.00 -0.02 -0.12 0.00 1.08 0.00 0.00 40.66 41.61 3k53 h LEU 102 CO -0.03 0.10 0.60 -0.33 -1.08 0.00 0.00 178.44 177.69 3k53 h GLU 103 N 0.19 0.64 -0.18 1.13 4.39 -0.95 0.58 114.58 120.38 3k53 h GLU 103 Ca 0.07 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3k53 h GLU 103 Cb 0.02 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3k53 h GLU 103 CO -0.05 0.42 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.99 3k53 h LEU 104 N 0.66 0.45 -1.56 1.33 3.38 0.22 -3.12 115.31 116.68 3k53 h LEU 104 Ca 0.61 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3k53 h LEU 104 Cb 1.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3k53 h LEU 104 CO -0.43 0.83 0.31 -0.26 0.09 0.00 0.00 178.44 178.97 3k53 h PHE 105 N 0.08 0.57 0.00 1.13 0.04 0.13 -1.62 116.94 117.27 3k53 h PHE 105 Ca 0.03 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3k53 h PHE 105 Cb 0.70 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3k53 h PHE 105 CO 0.08 0.35 0.00 0.93 -0.60 0.00 0.00 178.31 179.07 3k53 h GLU 106 N 0.61 0.00 0.00 1.51 5.08 -0.98 -2.07 114.58 118.73 3k53 h GLU 106 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3k53 h GLU 106 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 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 0.79 -1.47 2.33 2.81 -0.61 -4.25 117.12 113.89 3k53 n MET 107 Ca 0.01 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.77 3k53 n MET 107 Cb 0.30 -1.24 -0.05 0.00 -0.71 0.00 0.00 33.22 31.52 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 -0.74 -0.93 -2.22 0.03 -0.58 -0.78 -4.83 120.64 110.61 3k53 n GLU 108 Ca 0.09 0.93 -0.42 0.00 -0.42 0.00 0.00 57.16 57.34 3k53 n GLU 108 Cb 0.04 -5.00 -0.03 0.00 -0.57 0.00 0.00 31.44 25.88 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 -2.51 3.36 -0.18 2.62 1.01 -1.26 -4.92 120.40 118.53 3k53 s VAL 109 Ca 0.00 1.02 0.04 0.00 0.00 0.00 0.00 61.98 63.04 3k53 s VAL 109 Cb 0.00 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3k53 s VAL 109 CO 0.00 0.10 -0.11 0.29 0.00 0.00 0.00 175.10 175.38 3k53 n LYS 110 N 3.53 0.74 -1.93 2.72 4.76 -1.26 -4.73 118.16 121.98 3k53 n LYS 110 Ca 0.09 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.19 3k53 n LYS 110 Cb 0.43 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.92 4.24 -4.19 4.39 6.94 -1.26 -4.72 115.26 117.73 3k53 n ASN 111 Ca -0.31 -2.92 -0.18 0.00 -0.02 0.00 0.00 54.58 51.16 3k53 n ASN 111 Cb 0.88 -1.61 -0.12 0.00 -2.36 0.00 0.00 39.78 36.57 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 2.48 1.17 -0.03 1.53 2.07 -1.26 -1.14 121.20 126.01 3k53 s ILE 112 Ca 0.45 -1.42 0.01 0.00 -1.41 0.00 0.00 60.65 58.28 3k53 s ILE 112 Cb 0.12 -1.20 0.02 0.00 0.13 0.00 0.00 42.46 41.54 3k53 s ILE 112 CO -0.06 -0.28 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.04 3k53 s ILE 113 N -1.52 0.31 -0.12 2.00 1.01 0.31 -4.43 121.20 118.76 3k53 s ILE 113 Ca 0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 3k53 s ILE 113 Cb -0.08 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 3k53 s ILE 113 CO 0.02 0.17 0.43 -0.22 0.00 0.00 0.00 174.94 175.34 3k53 s LEU 114 N 0.93 4.28 -0.25 2.97 2.96 -0.58 -0.37 118.68 128.62 3k53 s LEU 114 Ca -0.10 0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 54.52 3k53 s LEU 114 Cb -0.14 -2.61 0.01 0.00 0.50 0.00 0.00 46.19 43.95 3k53 s LEU 114 CO -0.01 0.05 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.36 3k53 s VAL 115 N 0.46 3.33 -0.98 1.68 1.01 0.12 -1.32 120.40 124.70 3k53 s VAL 115 Ca 0.24 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 3k53 s VAL 115 Cb -0.15 -2.62 0.17 0.00 0.00 0.00 0.00 36.38 33.79 3k53 s VAL 115 CO 0.09 0.27 1.11 -0.76 0.00 0.00 0.00 175.10 175.81 3k53 s LEU 116 N 1.43 5.54 0.64 3.92 1.43 0.19 -0.27 118.68 131.56 3k53 s LEU 116 Ca 0.03 -2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 50.51 3k53 s LEU 116 Cb -0.16 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 3k53 s LEU 116 CO -0.02 -0.82 1.05 0.21 0.23 0.00 0.00 176.35 176.99 3k53 s ASN 117 N 2.95 6.03 -1.92 2.29 3.04 -0.06 -1.20 114.94 126.06 3k53 s ASN 117 Ca 0.31 1.37 0.00 0.00 0.04 0.00 0.00 52.86 54.58 3k53 s ASN 117 Cb -0.06 -2.36 0.00 0.00 -1.54 0.00 0.00 41.25 37.29 3k53 s ASN 117 CO -0.07 -0.99 0.00 0.29 -3.04 0.00 0.00 177.10 173.28 3k53 n LYS 118 N -2.82 -1.55 -0.29 0.43 5.02 -0.81 -1.73 118.16 116.42 3k53 n LYS 118 Ca 0.06 1.09 0.04 0.00 -2.02 0.00 0.00 58.31 57.48 3k53 n LYS 118 Cb 0.55 -5.61 0.19 0.00 -0.02 0.00 0.00 35.03 30.13 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 0.00 0.79 0.00 2.13 3.04 -1.61 -0.17 116.94 121.12 3k53 h PHE 119 Ca -0.46 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.52 3k53 h PHE 119 Cb 1.35 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.63 3k53 h PHE 119 CO 0.56 0.26 0.10 0.38 -2.02 0.00 0.00 178.31 177.59 3k53 h ASP 120 N 0.70 0.00 -0.28 0.41 2.03 -1.90 -1.42 116.42 115.95 3k53 h ASP 120 Ca 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 3k53 h ASP 120 Cb 0.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 3k53 h ASP 120 CO -0.30 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.09 3k53 n LEU 121 N -2.86 2.51 -4.95 0.15 4.32 -0.08 -5.23 117.00 110.87 3k53 n LEU 121 Ca -0.02 -1.27 -0.24 0.00 -0.02 0.00 0.00 56.01 54.46 3k53 n LEU 121 Cb 0.16 -0.43 0.05 0.00 -1.62 0.00 0.00 43.42 41.58 3k53 n LEU 121 CO 0.16 0.42 0.51 -0.76 -1.22 0.00 0.00 177.39 176.50 3k53 s LEU 122 N -1.12 3.04 0.22 2.23 1.43 -0.54 -4.93 118.68 119.02 3k53 s LEU 122 Ca 0.23 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 3k53 s LEU 122 Cb 0.15 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.33 3k53 s LEU 122 CO 0.10 -1.36 0.00 0.00 0.23 0.00 0.00 176.35 175.32 3k53 n ALA 127 N -2.66 -1.85 -2.76 4.21 0.00 -1.26 -5.14 120.51 111.06 3k53 n ALA 127 Ca 0.08 0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.78 3k53 n ALA 127 Cb 0.60 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 3k53 n ALA 127 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3k53 s LYS 128 N -0.79 0.70 -0.23 0.00 -0.14 -0.30 -4.88 119.74 114.11 3k53 s LYS 128 Ca 0.00 -0.77 -0.00 0.00 -1.36 0.00 0.00 55.97 53.83 3k53 s LYS 128 Cb 0.00 -0.62 0.03 0.00 -1.68 0.00 0.00 37.83 35.56 3k53 s LYS 128 CO 0.00 0.14 -0.11 0.42 -0.76 0.00 0.00 175.35 175.04 3k53 s ILE 129 N -1.12 2.57 -1.15 2.17 -1.09 -1.26 -2.18 121.20 119.15 3k53 s ILE 129 Ca -0.04 -1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 57.12 3k53 s ILE 129 Cb -0.09 -2.27 0.05 0.00 -1.58 0.00 0.00 42.46 38.57 3k53 s ILE 129 CO 0.01 0.27 1.62 -0.62 -1.23 0.00 0.00 174.94 174.99 3k53 s ASP 130 N 1.29 6.53 0.16 3.58 -1.08 0.60 -4.85 116.67 122.90 3k53 s ASP 130 Ca 0.01 -1.87 -0.28 0.00 -0.52 0.00 0.00 52.55 49.89 3k53 s ASP 130 Cb -0.16 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.71 3k53 s ASP 130 CO -0.07 -1.48 1.56 0.40 0.52 0.00 0.00 175.17 176.11 3k53 h ILE 131 N 6.25 0.07 -0.88 4.11 2.04 -1.96 0.53 117.51 127.66 3k53 h ILE 131 Ca 0.31 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.30 3k53 h ILE 131 Cb 0.95 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 3k53 h ILE 131 CO 1.43 0.00 0.50 0.11 0.00 0.00 0.00 178.15 180.19 3k53 h LYS 132 N -0.29 0.74 -0.28 2.37 1.57 -1.96 0.87 116.57 119.57 3k53 h LYS 132 Ca 0.14 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3k53 h LYS 132 Cb 0.57 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3k53 h LYS 132 CO -0.64 0.49 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.43 3k53 h LYS 133 N 0.76 0.46 -0.12 3.15 3.64 -1.59 -1.01 116.57 121.86 3k53 h LYS 133 Ca 0.46 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.61 3k53 h LYS 133 Cb 0.56 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3k53 h LYS 133 CO -0.31 0.54 -0.38 1.98 -2.27 0.00 0.00 179.45 179.01 3k53 h MET 134 N 0.43 0.47 -0.79 1.90 4.05 0.21 -1.80 114.93 119.39 3k53 h MET 134 Ca 0.09 -0.34 0.04 0.00 -0.28 0.00 0.00 59.70 59.20 3k53 h MET 134 Cb 0.40 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.21 3k53 h MET 134 CO 0.02 0.96 0.50 -0.09 0.23 0.00 0.00 176.91 178.53 3k53 h ARG 135 N 0.06 0.93 -0.43 0.39 1.12 0.85 -1.02 114.38 116.29 3k53 h ARG 135 Ca -0.01 -0.06 -0.12 0.00 -1.11 0.00 0.00 59.98 58.68 3k53 h ARG 135 Cb 1.00 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 30.74 3k53 h ARG 135 CO 0.08 0.61 -0.23 -0.22 -3.11 0.00 0.00 179.97 177.11 3k53 h LYS 136 N 0.96 0.88 -0.19 0.20 3.64 -1.19 -0.15 116.57 120.72 3k53 h LYS 136 Ca 0.32 -0.37 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 3k53 h LYS 136 Cb 0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3k53 h LYS 136 CO -0.13 1.01 -0.49 0.93 -2.27 0.00 0.00 179.45 178.50 3k53 h GLU 137 N 0.76 0.52 0.00 1.90 4.39 -0.75 -3.29 114.58 118.11 3k53 h GLU 137 Ca 0.10 -0.30 -0.29 0.00 0.34 0.00 0.00 59.36 59.21 3k53 h GLU 137 Cb 0.77 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 3k53 h GLU 137 CO 0.06 0.90 -1.71 1.28 -1.16 0.00 0.00 179.01 178.38 3k53 n LEU 138 N -3.98 0.85 -0.03 1.33 4.77 -0.44 -4.61 117.00 114.89 3k53 n LEU 138 Ca -0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3k53 n LEU 138 Cb 0.57 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3k53 n LEU 138 CO 0.46 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3k53 n GLY 139 N 1.55 0.44 3.33 -0.72 0.00 -0.07 -1.27 105.19 108.45 3k53 n GLY 139 Ca -0.17 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.05 0.08 0.55 1.61 -7.23 -1.23 -0.58 120.40 111.54 3k53 s VAL 140 Ca 0.00 -1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 58.74 3k53 s VAL 140 Cb 0.00 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.21 3k53 s VAL 140 CO 0.00 -0.35 1.14 -2.16 -0.31 0.00 0.00 175.10 173.42 3k53 s PRO 141 N -3.93 3.31 -0.35 4.82 0.04 -1.26 -4.70 135.00 132.94 3k53 s PRO 141 Ca 0.13 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.83 3k53 s PRO 141 Cb 0.03 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.67 3k53 s PRO 141 CO -0.03 -0.89 0.12 0.08 0.04 0.00 0.00 177.00 176.32 3k53 s VAL 142 N -1.74 1.36 -0.09 -0.36 1.01 -1.26 -1.53 120.40 117.80 3k53 s VAL 142 Ca 0.73 -1.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 3k53 s VAL 142 Cb -0.25 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 3k53 s VAL 142 CO 0.28 -0.70 0.46 -0.63 0.00 0.00 0.00 175.10 174.51 3k53 s ILE 143 N 1.16 5.14 0.00 2.22 -1.09 -0.43 -4.90 121.20 123.29 3k53 s ILE 143 Ca 0.12 0.93 -0.17 0.00 -2.23 0.00 0.00 60.65 59.30 3k53 s ILE 143 Cb -0.19 -3.80 -0.06 0.00 -1.58 0.00 0.00 42.46 36.83 3k53 s ILE 143 CO -0.16 0.38 0.48 -2.84 -1.23 0.00 0.00 174.94 171.57 3k53 s PRO 144 N 0.24 4.10 0.20 2.79 0.02 -1.26 0.54 135.00 141.62 3k53 s PRO 144 Ca 0.25 0.53 -0.11 0.00 0.02 0.00 0.00 61.00 61.70 3k53 s PRO 144 Cb -0.15 -3.27 -0.00 0.00 0.02 0.00 0.00 34.50 31.09 3k53 s PRO 144 CO 0.11 0.57 0.37 0.95 -0.33 0.00 0.00 177.00 178.67 3k53 s THR 145 N -0.74 0.04 -0.45 0.99 -4.23 -0.34 -4.30 115.64 106.60 3k53 s THR 145 Ca 0.26 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.48 3k53 s THR 145 Cb -0.17 -1.95 0.18 0.00 1.34 0.00 0.00 72.50 71.90 3k53 s THR 145 CO 0.15 -0.16 0.38 -3.20 -0.54 0.00 0.00 174.62 171.24 3k53 n ASN 146 N -0.29 0.07 -0.33 3.99 2.85 -0.94 -1.92 115.26 118.69 3k53 n ASN 146 Ca -0.05 -2.52 0.18 0.00 -0.11 0.00 0.00 54.58 52.08 3k53 n ASN 146 Cb 0.63 -0.59 0.39 0.00 1.24 0.00 0.00 39.78 41.45 3k53 n ASN 146 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k53 h ALA 147 N 5.49 1.75 0.28 5.20 0.00 -1.94 0.24 119.26 130.27 3k53 h ALA 147 Ca 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3k53 h ALA 147 Cb 0.88 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3k53 h ALA 147 CO 0.43 -0.36 -0.13 -0.22 0.00 0.00 0.00 179.25 178.97 3k53 h LYS 148 N 0.48 -0.36 -0.00 0.00 3.64 -1.94 -2.89 116.57 115.51 3k53 h LYS 148 Ca 0.65 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.05 3k53 h LYS 148 Cb 1.30 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 3k53 h LYS 148 CO -0.52 -0.19 -0.02 1.63 -2.27 0.00 0.00 179.45 178.08 3k53 n LYS 149 N -5.22 0.68 -0.88 1.90 5.02 -0.78 -4.92 118.16 113.97 3k53 n LYS 149 Ca -0.10 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 3k53 n LYS 149 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3k53 n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k53 n GLY 150 N 1.20 0.48 3.85 0.72 0.00 0.00 -5.05 105.19 106.39 3k53 n GLY 150 Ca 0.17 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.31 4.00 0.00 1.61 2.02 -0.79 -4.04 118.70 120.20 3k53 s GLU 151 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.60 3k53 s GLU 151 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.66 3k53 s GLU 151 CO 0.00 0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.93 3k53 n GLY 152 N -0.08 1.93 0.20 -1.39 0.00 -1.26 -2.21 105.19 102.37 3k53 n GLY 152 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.71 -0.52 1.61 2.07 -1.87 0.14 116.25 118.39 3k53 h VAL 153 Ca 0.00 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3k53 h VAL 153 Cb 0.00 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3k53 h VAL 153 CO 0.00 0.04 0.34 -0.08 0.02 0.00 0.00 177.57 177.89 3k53 h GLU 154 N 0.25 0.66 -0.79 1.57 4.57 -1.87 -1.34 114.58 117.62 3k53 h GLU 154 Ca 0.26 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 3k53 h GLU 154 Cb 0.35 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3k53 h GLU 154 CO -0.34 0.44 0.32 1.49 -1.18 0.00 0.00 179.01 179.74 3k53 h GLU 155 N 0.68 1.17 -0.25 1.92 4.57 -1.73 -1.86 114.58 119.09 3k53 h GLU 155 Ca 0.20 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3k53 h GLU 155 Cb -0.05 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.32 3k53 h GLU 155 CO -0.06 0.94 0.07 1.25 -1.18 0.00 0.00 179.01 180.03 3k53 h LEU 156 N 1.14 0.05 -0.36 1.64 5.85 -0.02 -0.84 115.31 122.78 3k53 h LEU 156 Ca 0.26 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.07 3k53 h LEU 156 Cb 0.20 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3k53 h LEU 156 CO -0.02 0.06 0.07 0.11 -0.34 0.00 0.00 178.44 178.32 3k53 h LYS 157 N 0.17 0.18 -0.60 1.25 1.57 -0.85 0.23 116.57 118.53 3k53 h LYS 157 Ca 0.11 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3k53 h LYS 157 Cb 0.10 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3k53 h LYS 157 CO -0.13 0.12 0.31 -0.09 -0.57 0.00 0.00 179.45 179.09 3k53 h ARG 158 N 0.19 0.56 -0.38 3.15 2.43 -0.77 0.08 114.38 119.64 3k53 h ARG 158 Ca 0.17 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 3k53 h ARG 158 Cb 0.20 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3k53 h ARG 158 CO -0.23 0.37 -0.26 1.98 -1.51 0.00 0.00 179.97 180.32 3k53 h MET 159 N 0.57 0.84 -0.81 0.20 4.05 -0.52 0.18 114.93 119.45 3k53 h MET 159 Ca 0.27 -0.40 0.04 0.00 -0.28 0.00 0.00 59.70 59.33 3k53 h MET 159 Cb 0.19 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.94 3k53 h MET 159 CO -0.19 1.04 0.51 0.82 0.23 0.00 0.00 176.91 179.32 3k53 h ILE 160 N 0.64 1.11 0.41 1.77 2.04 -0.07 -0.21 117.51 123.19 3k53 h ILE 160 Ca 0.08 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3k53 h ILE 160 Cb 0.83 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3k53 h ILE 160 CO 0.07 0.18 -0.20 0.00 0.00 0.00 0.00 178.15 178.20 3k53 h ALA 161 N 1.35 -0.55 -0.80 1.87 0.00 -0.79 -1.72 119.26 118.62 3k53 h ALA 161 Ca 0.33 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.20 3k53 h ALA 161 Cb 0.04 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 17.89 3k53 h ALA 161 CO -0.12 -0.65 -0.25 1.25 0.00 0.00 0.00 179.25 179.48 3k53 h LEU 162 N -0.86 -0.90 -0.67 0.00 5.85 -0.27 -0.63 115.31 117.83 3k53 h LEU 162 Ca -0.06 0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3k53 h LEU 162 Cb 0.55 0.55 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3k53 h LEU 162 CO 0.09 -0.28 0.04 -0.03 -0.34 0.00 0.00 178.44 177.92 3k53 h MET 163 N -0.03 1.07 -0.55 1.25 4.05 -1.02 -1.99 114.93 117.71 3k53 h MET 163 Ca 0.36 -0.32 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 3k53 h MET 163 Cb 0.59 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.25 3k53 h MET 163 CO -0.83 1.02 0.26 0.00 0.23 0.00 0.00 176.91 177.59 3k53 h ALA 164 N 1.04 1.43 -0.06 0.39 0.00 -0.22 -1.61 119.26 120.23 3k53 h ALA 164 Ca 0.18 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3k53 h ALA 164 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3k53 h ALA 164 CO 0.02 0.45 -0.47 0.93 0.00 0.00 0.00 179.25 180.19 3k53 h GLU 165 N 0.77 0.14 0.00 0.00 5.08 -0.84 -3.47 114.58 116.25 3k53 h GLU 165 Ca 0.19 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3k53 h GLU 165 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3k53 h GLU 165 CO -0.02 0.58 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 3k53 n GLY 166 N -0.11 0.73 0.09 -3.84 0.00 -0.61 -4.97 105.19 96.48 3k53 n GLY 166 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.58 1.09 -5.26 1.61 5.02 -0.90 -4.78 118.16 113.36 3k53 n LYS 167 Ca 0.00 -0.14 -0.31 0.00 -2.02 0.00 0.00 58.31 55.84 3k53 n LYS 167 Cb 0.00 -1.05 -0.16 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.92 2.03 -0.06 -0.18 1.01 -1.26 -4.94 120.40 115.08 3k53 s VAL 168 Ca 0.03 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3k53 s VAL 168 Cb 0.01 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3k53 s VAL 168 CO 0.02 0.57 -0.10 0.42 0.00 0.00 0.00 175.10 176.00 3k53 s THR 169 N -0.21 3.39 0.05 3.92 -4.23 -1.26 -4.95 115.64 112.33 3k53 s THR 169 Ca -0.02 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 3k53 s THR 169 Cb -0.13 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 3k53 s THR 169 CO 0.03 0.59 -0.05 0.42 -0.54 0.00 0.00 174.62 175.07 3k53 s THR 170 N -0.72 0.39 -0.45 3.99 -4.23 -1.26 -4.90 115.64 108.46 3k53 s THR 170 Ca 0.11 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.34 3k53 s THR 170 Cb -0.11 -0.90 0.21 0.00 1.34 0.00 0.00 72.50 73.04 3k53 s THR 170 CO 0.01 -0.63 0.57 -3.20 -0.54 0.00 0.00 174.62 170.83 3k53 n ASN 171 N 0.94 -1.48 -4.68 3.99 5.15 0.26 -5.03 115.26 114.41 3k53 n ASN 171 Ca -0.19 -2.74 -0.47 0.00 -0.60 0.00 0.00 54.58 50.57 3k53 n ASN 171 Cb 0.57 0.41 -0.04 0.00 -0.53 0.00 0.00 39.78 40.18 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 2.32 2.30 -1.70 1.20 -0.02 -1.22 -4.31 135.00 133.57 3k53 n PRO 172 Ca 0.21 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 62.12 3k53 n PRO 172 Cb 0.54 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3k53 n PRO 172 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3k53 n ILE 173 N 5.04 2.24 -4.04 4.25 3.06 -0.39 -4.97 119.36 124.54 3k53 n ILE 173 Ca 0.22 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.63 3k53 n ILE 173 Cb 0.31 -1.57 -0.15 0.00 0.54 0.00 0.00 39.64 38.77 3k53 n ILE 173 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 3k53 s ILE 174 N -1.14 2.52 0.11 9.51 1.01 -1.26 -4.87 121.20 127.08 3k53 s ILE 174 Ca 0.58 -0.82 -0.35 0.00 0.00 0.00 0.00 60.65 60.06 3k53 s ILE 174 Cb -0.54 -2.11 -0.17 0.00 0.01 0.00 0.00 42.46 39.65 3k53 s ILE 174 CO 0.60 0.47 1.23 -2.65 0.00 0.00 0.00 174.94 174.60 3k53 n PRO 175 N 4.67 1.00 -3.98 2.79 -0.02 -1.26 -4.97 135.00 133.24 3k53 n PRO 175 Ca -0.20 0.36 -0.35 0.00 -2.02 0.00 0.00 63.50 61.29 3k53 n PRO 175 Cb 0.50 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 3k53 n PRO 175 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3k53 s ARG 176 N 0.10 3.90 0.00 -0.52 1.81 -1.26 -5.11 118.95 117.87 3k53 s ARG 176 Ca 0.81 -0.38 0.00 0.00 -1.72 0.00 0.00 55.73 54.44 3k53 s ARG 176 Cb -0.95 -3.23 0.00 0.00 -0.45 0.00 0.00 34.95 30.32 3k53 s ARG 176 CO 0.50 0.18 0.00 0.66 -0.68 0.00 0.00 175.30 175.96 3k53 n TYR 177 N 3.82 -2.40 -3.07 -0.53 4.01 -1.26 -4.97 117.16 112.75 3k53 n TYR 177 Ca -0.16 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.25 3k53 n TYR 177 Cb 0.52 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 3k53 n TYR 177 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3k53 s ASP 178 N -1.00 6.85 0.22 7.72 1.47 -1.26 -4.73 116.67 125.93 3k53 s ASP 178 Ca 0.00 1.37 0.06 0.00 1.18 0.00 0.00 52.55 55.17 3k53 s ASP 178 Cb 0.00 -2.41 0.66 0.00 -0.34 0.00 0.00 42.92 40.83 3k53 s ASP 178 CO 0.00 -0.20 1.02 -0.62 0.68 0.00 0.00 175.17 176.05 3k53 n GLU 179 N -0.26 -0.05 -0.04 2.11 1.02 -1.26 -0.56 120.64 121.60 3k53 n GLU 179 Ca 0.03 0.94 -0.12 0.00 -0.02 0.00 0.00 57.16 58.00 3k53 n GLU 179 Cb 0.53 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 3k53 n GLU 179 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3k53 h ASP 180 N 0.00 0.21 -0.11 1.62 3.32 -1.99 -0.38 116.42 119.09 3k53 h ASP 180 Ca 0.46 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3k53 h ASP 180 Cb 1.09 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 3k53 h ASP 180 CO -0.56 0.47 -0.01 0.40 -1.72 0.00 0.00 179.24 177.81 3k53 h ILE 181 N -0.06 1.27 -0.75 0.35 2.04 -1.21 -2.89 117.51 116.27 3k53 h ILE 181 Ca 0.03 -0.89 0.14 0.00 1.00 0.00 0.00 64.86 65.14 3k53 h ILE 181 Cb 0.37 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 3k53 h ILE 181 CO 0.01 0.25 0.50 -0.08 0.00 0.00 0.00 178.15 178.83 3k53 h GLU 182 N -0.11 0.45 -0.13 2.37 4.57 -0.93 -1.31 114.58 119.50 3k53 h GLU 182 Ca 0.03 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 3k53 h GLU 182 Cb 0.40 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3k53 h GLU 182 CO 0.01 0.30 -0.61 0.00 -1.18 0.00 0.00 179.01 177.53 3k53 h ARG 183 N 0.46 0.45 -0.26 1.92 3.08 -0.88 -2.32 114.38 116.83 3k53 h ARG 183 Ca 0.36 -0.31 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 3k53 h ARG 183 Cb 0.77 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3k53 h ARG 183 CO -0.12 0.92 -0.58 0.93 -1.07 0.00 0.00 179.97 180.05 3k53 h GLU 184 N 0.33 0.86 -0.51 0.04 4.39 -1.08 -1.40 114.58 117.21 3k53 h GLU 184 Ca -0.01 -0.57 0.09 0.00 0.34 0.00 0.00 59.36 59.21 3k53 h GLU 184 Cb 1.15 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 3k53 h GLU 184 CO 0.11 1.20 0.35 0.82 -1.16 0.00 0.00 179.01 180.33 3k53 h ILE 185 N 0.64 0.91 0.00 3.13 2.04 -1.24 0.44 117.51 123.43 3k53 h ILE 185 Ca 0.00 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3k53 h ILE 185 Cb 1.20 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3k53 h ILE 185 CO 0.13 0.06 -0.00 0.50 0.00 0.00 0.00 178.15 178.84 3k53 h LYS 186 N 0.33 -0.01 -0.28 2.37 3.64 -0.97 -2.18 116.57 119.48 3k53 h LYS 186 Ca 0.23 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.43 3k53 h LYS 186 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3k53 h LYS 186 CO -0.05 0.52 -0.55 0.45 -2.27 0.00 0.00 179.45 177.54 3k53 h HIS 187 N -0.53 1.08 -0.25 1.91 3.86 -0.36 -2.88 115.15 117.97 3k53 h HIS 187 Ca -0.00 -0.38 -0.08 0.00 -1.16 0.00 0.00 60.37 58.74 3k53 h HIS 187 Cb 0.53 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3k53 h HIS 187 CO 0.11 1.21 -0.21 0.82 0.86 0.00 0.00 177.93 180.72 3k53 h ILE 188 N 0.65 1.25 0.46 2.45 2.04 -0.26 -1.92 117.51 122.19 3k53 h ILE 188 Ca 0.01 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 3k53 h ILE 188 Cb 1.16 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3k53 h ILE 188 CO 0.12 0.37 -0.42 0.28 0.00 0.00 0.00 178.15 178.51 3k53 h SER 189 N 0.41 -1.11 0.50 1.72 0.02 -1.22 -2.42 113.55 111.46 3k53 h SER 189 Ca 0.07 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3k53 h SER 189 Cb 0.59 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 3k53 h SER 189 CO 0.04 -0.58 -0.15 1.05 -1.14 0.00 0.00 176.83 176.04 3k53 h GLU 190 N -0.88 0.00 -0.66 3.45 4.11 -1.45 0.53 114.58 119.68 3k53 h GLU 190 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 3k53 h GLU 190 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3k53 h GLU 190 CO -0.04 0.15 0.00 -0.11 0.07 0.00 0.00 179.01 179.09 3k53 n LEU 191 N -3.59 0.66 0.00 3.06 7.94 -0.73 -2.85 117.00 121.50 3k53 n LEU 191 Ca -0.01 -0.33 0.00 0.00 -1.11 0.00 0.00 56.01 54.56 3k53 n LEU 191 Cb 0.29 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 43.91 3k53 n LEU 191 CO 0.31 0.17 0.00 0.18 -1.11 0.00 0.00 177.39 176.94 3k53 n LEU 192 N -0.09 0.00 -4.61 -1.96 4.77 -0.20 -4.99 117.00 109.93 3k53 n LEU 192 Ca 0.00 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.51 3k53 n LEU 192 Cb 0.17 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3k53 n LEU 192 CO 0.00 0.00 0.77 -1.14 -1.33 0.00 0.00 177.39 175.69 3k53 n ARG 193 N -0.49 1.47 0.00 3.23 3.00 0.17 -2.02 116.66 122.02 3k53 n ARG 193 Ca 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 57.85 58.37 3k53 n ARG 193 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 30.42 3k53 n ARG 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k53 n GLY 194 N 1.84 2.39 3.33 5.14 0.00 -1.26 -4.97 105.19 111.65 3k53 n GLY 194 Ca 0.13 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 3k53 n GLY 194 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k53 n THR 195 N 0.00 0.00 -0.05 2.61 -2.24 -0.86 -4.80 114.28 108.95 3k53 n THR 195 Ca 0.00 -0.31 0.09 0.00 -2.27 0.00 0.00 64.05 61.56 3k53 n THR 195 Cb 0.00 -0.89 0.47 0.00 -2.10 0.00 0.00 70.33 67.81 3k53 n THR 195 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3k53 h PRO 196 N -2.88 0.44 -0.56 -0.78 0.13 -1.87 -2.26 132.00 124.22 3k53 h PRO 196 Ca -0.54 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 3k53 h PRO 196 Cb 1.30 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3k53 h PRO 196 CO 0.39 0.29 0.36 -0.07 -0.23 0.00 0.00 178.00 178.75 3k53 h LEU 197 N 0.46 0.66 -1.49 1.56 3.38 -1.88 -2.21 115.31 115.79 3k53 h LEU 197 Ca 0.23 -0.03 0.35 0.00 0.09 0.00 0.00 57.88 58.52 3k53 h LEU 197 Cb 0.32 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 3k53 h LEU 197 CO -0.06 0.49 0.79 0.00 0.09 0.00 0.00 178.44 179.75 3k53 h ALA 198 N 1.19 2.61 0.25 1.53 0.00 -1.59 0.31 119.26 123.56 3k53 h ALA 198 Ca 0.21 0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.84 3k53 h ALA 198 Cb -0.06 0.11 0.04 0.00 0.00 0.00 0.00 17.79 17.87 3k53 h ALA 198 CO -0.04 -1.09 -1.51 0.93 0.00 0.00 0.00 179.25 177.54 3k53 h GLU 199 N 0.21 0.53 0.00 0.00 5.08 -1.51 -3.37 114.58 115.52 3k53 h GLU 199 Ca 0.69 -0.91 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3k53 h GLU 199 Cb 2.10 0.34 0.00 0.00 0.50 0.00 0.00 28.75 31.68 3k53 h GLU 199 CO -0.29 1.43 -0.79 -0.22 -1.00 0.00 0.00 179.01 178.14 3k53 h LYS 200 N 0.14 0.00 -3.75 2.33 3.64 -0.87 -3.48 116.57 114.58 3k53 h LYS 200 Ca -0.27 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 3k53 h LYS 200 Cb 2.16 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 33.81 3k53 h LYS 200 CO 0.27 0.00 -0.50 0.71 -2.27 0.00 0.00 179.45 177.66 3k53 s TYR 201 N -3.22 0.17 -0.03 1.91 2.02 0.90 -4.98 117.35 114.12 3k53 s TYR 201 Ca 0.04 -0.45 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 3k53 s TYR 201 Cb 0.13 -0.12 -0.03 0.00 -0.40 0.00 0.00 41.96 41.54 3k53 s TYR 201 CO 0.75 -0.37 1.07 -1.25 -1.57 0.00 0.00 175.55 174.19 3k53 s PRO 202 N -2.54 4.45 0.06 -1.71 0.04 -1.26 -4.30 135.00 129.74 3k53 s PRO 202 Ca -0.05 1.53 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 3k53 s PRO 202 Cb -0.01 -3.48 -0.17 0.00 0.04 0.00 0.00 34.50 30.87 3k53 s PRO 202 CO -0.04 -0.24 1.54 -0.84 0.04 0.00 0.00 177.00 177.46 3k53 h ILE 203 N 4.87 0.67 -1.00 0.56 3.07 -1.90 -0.98 117.51 122.81 3k53 h ILE 203 Ca -0.37 -0.20 0.14 0.00 1.55 0.00 0.00 64.86 65.98 3k53 h ILE 203 Cb 1.19 0.78 -0.15 0.00 -0.27 0.00 0.00 36.82 38.36 3k53 h ILE 203 CO 0.82 0.04 -0.44 -1.14 -1.05 0.00 0.00 178.15 176.38 3k53 n ARG 204 N -5.25 -0.28 0.16 0.16 3.00 -1.26 0.44 116.66 113.63 3k53 n ARG 204 Ca -0.10 1.53 -0.14 0.00 -0.00 0.00 0.00 57.85 59.14 3k53 n ARG 204 Cb 0.23 -2.27 -0.06 0.00 0.00 0.00 0.00 32.46 30.36 3k53 n ARG 204 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 3k53 h TRP 205 N 0.00 -0.71 -0.77 -0.14 7.01 -1.71 -1.70 115.95 117.94 3k53 h TRP 205 Ca 0.30 0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.46 3k53 h TRP 205 Cb 0.55 0.28 -0.10 0.00 -2.10 0.00 0.00 29.16 27.80 3k53 h TRP 205 CO -0.91 -0.38 0.32 -0.07 -2.79 0.00 0.00 178.44 174.61 3k53 h LEU 206 N -0.53 0.30 0.33 0.65 3.38 0.71 -0.66 115.31 119.49 3k53 h LEU 206 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3k53 h LEU 206 Cb 0.51 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3k53 h LEU 206 CO -0.09 0.11 -0.16 0.00 0.09 0.00 0.00 178.44 178.39 3k53 h ALA 207 N 1.56 -0.44 -0.96 1.53 0.00 0.33 0.91 119.26 122.18 3k53 h ALA 207 Ca 0.43 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.37 3k53 h ALA 207 Cb 0.66 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 3k53 h ALA 207 CO -0.41 -0.75 0.58 -0.07 0.00 0.00 0.00 179.25 178.60 3k53 h LEU 208 N -0.45 0.83 -0.17 0.00 3.38 -0.36 -0.48 115.31 118.07 3k53 h LEU 208 Ca -0.04 0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 3k53 h LEU 208 Cb 0.35 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.00 3k53 h LEU 208 CO 0.07 0.43 -0.87 0.11 0.09 0.00 0.00 178.44 178.27 3k53 h LYS 209 N 0.91 0.63 -0.13 1.13 1.79 -0.93 -3.03 116.57 116.92 3k53 h LYS 209 Ca 0.48 -0.58 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 3k53 h LYS 209 Cb 0.51 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 3k53 h LYS 209 CO -0.28 1.20 -0.00 -0.07 -1.08 0.00 0.00 179.45 179.21 3k53 h LEU 210 N 0.40 -0.06 -2.03 2.94 3.38 -0.05 -0.85 115.31 119.04 3k53 h LEU 210 Ca -0.07 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.05 3k53 h LEU 210 Cb 1.50 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 3k53 h LEU 210 CO 0.17 -0.01 0.39 -0.07 0.09 0.00 0.00 178.44 179.01 3k53 h LEU 211 N 0.04 0.00 -2.32 1.67 3.38 -1.09 0.46 115.31 117.45 3k53 h LEU 211 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3k53 h LEU 211 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3k53 h LEU 211 CO -0.11 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.42 3k53 n GLN 212 N -3.94 2.46 -3.55 1.13 6.02 -0.39 -4.71 117.38 114.40 3k53 n GLN 212 Ca 0.07 -2.27 -0.23 0.00 -0.01 0.00 0.00 57.00 54.56 3k53 n GLN 212 Cb 0.57 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.37 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 1.36 -1.35 -2.83 -1.09 5.12 0.16 -4.76 116.66 113.28 3k53 n ARG 213 Ca 0.21 0.74 -0.42 0.00 -1.93 0.00 0.00 57.85 56.45 3k53 n ARG 213 Cb 0.54 -4.22 -0.04 0.00 -1.16 0.00 0.00 32.46 27.58 3k53 n ARG 213 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3k53 s ASP 214 N -3.28 6.86 0.19 0.55 2.15 -0.80 -4.97 116.67 117.37 3k53 s ASP 214 Ca 0.30 1.02 -0.24 0.00 0.43 0.00 0.00 52.55 54.06 3k53 s ASP 214 Cb -0.10 -2.46 0.08 0.00 -0.30 0.00 0.00 42.92 40.14 3k53 s ASP 214 CO 0.84 -0.61 1.55 -0.08 -0.17 0.00 0.00 175.17 176.70 3k53 h GLU 215 N 7.79 -0.08 0.39 4.34 4.22 -1.91 0.14 114.58 129.46 3k53 h GLU 215 Ca -0.22 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.22 3k53 h GLU 215 Cb 1.08 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3k53 h GLU 215 CO 0.92 -0.05 -0.31 1.49 -2.18 0.00 0.00 179.01 178.88 3k53 h GLU 216 N -0.08 -0.67 -0.09 1.92 4.81 -1.93 -2.67 114.58 115.87 3k53 h GLU 216 Ca 0.24 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3k53 h GLU 216 Cb 0.53 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3k53 h GLU 216 CO -0.87 -0.45 -0.04 0.28 -0.73 0.00 0.00 179.01 177.21 3k53 h VAL 217 N -0.69 1.09 0.28 0.32 2.07 -1.83 -0.97 116.25 116.52 3k53 h VAL 217 Ca -0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3k53 h VAL 217 Cb 0.60 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3k53 h VAL 217 CO -0.01 0.12 -0.34 0.40 0.02 0.00 0.00 177.57 177.76 3k53 h ILE 218 N 0.13 0.00 -0.69 4.57 1.08 -0.41 -1.89 117.51 120.30 3k53 h ILE 218 Ca 0.03 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.58 3k53 h ILE 218 Cb 0.16 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.84 3k53 h ILE 218 CO 0.01 0.00 0.36 0.11 -0.69 0.00 0.00 178.15 177.94 3k53 h LYS 219 N -0.64 0.62 0.00 2.37 1.57 -1.18 -1.85 116.57 117.46 3k53 h LYS 219 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3k53 h LYS 219 Cb 0.57 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3k53 h LYS 219 CO -0.07 0.41 0.00 -0.11 -0.57 0.00 0.00 179.45 179.11 3k53 n LEU 220 N -4.83 0.00 -0.06 2.94 7.94 -0.40 -1.54 117.00 121.06 3k53 n LEU 220 Ca 0.10 0.36 -0.01 0.00 -1.11 0.00 0.00 56.01 55.35 3k53 n LEU 220 Cb 0.22 -0.36 -0.15 0.00 0.53 0.00 0.00 43.42 43.66 3k53 n LEU 220 CO 0.27 -0.30 -0.95 0.52 -1.11 0.00 0.00 177.39 175.82 3k53 n VAL 221 N -1.36 0.74 -0.18 1.96 0.31 -0.71 -4.07 118.33 115.03 3k53 n VAL 221 Ca 0.02 -0.65 -0.09 0.00 -0.01 0.00 0.00 64.34 63.60 3k53 n VAL 221 Cb 0.05 -0.27 0.01 0.00 -0.91 0.00 0.00 33.84 32.72 3k53 n VAL 221 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3k53 h LEU 222 N 0.00 0.85 0.00 7.52 3.38 -1.17 -3.13 115.31 122.76 3k53 h LEU 222 Ca -0.29 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3k53 h LEU 222 Cb 1.63 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3k53 h LEU 222 CO 0.02 0.92 0.00 2.29 0.09 0.00 0.00 178.44 181.76 3k53 n LYS 223 N -4.35 0.00 -0.29 1.13 2.85 -1.19 -3.85 118.16 112.45 3k53 n LYS 223 Ca 0.01 0.33 0.34 0.00 -1.05 0.00 0.00 58.31 57.95 3k53 n LYS 223 Cb 0.29 -0.82 0.67 0.00 -0.65 0.00 0.00 35.03 34.53 3k53 n LYS 223 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 3k53 h TYR 224 N 0.00 0.00 -4.02 5.58 -1.99 -1.77 -3.38 116.97 111.39 3k53 h TYR 224 Ca 0.00 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 60.34 3k53 h TYR 224 Cb 0.00 0.00 -0.26 0.00 2.00 0.00 0.00 36.73 38.47 3k53 h TYR 224 CO 0.00 0.00 -0.78 -0.51 -0.00 0.00 0.00 178.16 176.87 3k53 s LEU 225 N -7.50 2.10 0.39 3.88 1.02 -1.18 -4.73 118.68 112.65 3k53 s LEU 225 Ca -0.04 -0.30 -0.22 0.00 0.02 0.00 0.00 54.13 53.59 3k53 s LEU 225 Cb 0.20 -0.46 -0.16 0.00 0.02 0.00 0.00 46.19 45.79 3k53 s LEU 225 CO 0.67 0.04 0.13 0.61 0.02 0.00 0.00 176.35 177.83 3k53 n GLY 226 N 2.38 -2.63 0.24 -3.19 0.00 -1.26 -4.17 105.19 96.56 3k53 n GLY 226 Ca -0.16 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.38 0.00 0.00 1.61 -0.00 -1.85 -1.68 115.11 113.58 3k53 h GLN 227 Ca -0.36 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.19 3k53 h GLN 227 Cb 1.44 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.91 3k53 h GLN 227 CO 0.48 0.00 -0.47 0.93 0.00 0.00 0.00 178.83 179.77 3k53 h GLU 228 N 0.00 0.00 0.00 1.69 4.39 -1.93 -2.56 114.58 116.17 3k53 h GLU 228 Ca 0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 3k53 h GLU 228 Cb 0.78 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 3k53 h GLU 228 CO 0.00 0.47 -0.98 -0.22 -1.16 0.00 0.00 179.01 177.12 3k53 h LYS 229 N 0.00 0.00 -0.01 2.33 1.63 -1.65 -3.28 116.57 115.60 3k53 h LYS 229 Ca -0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 3k53 h LYS 229 Cb 1.14 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 3k53 h LYS 229 CO 0.06 0.96 -0.73 1.98 -3.45 0.00 0.00 179.45 178.28 3k53 h MET 230 N 0.00 0.07 0.00 1.90 4.05 -1.19 -2.51 114.93 117.24 3k53 h MET 230 Ca -0.02 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 3k53 h MET 230 Cb 1.75 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.56 3k53 h MET 230 CO 0.13 0.76 -0.16 -0.44 0.23 0.00 0.00 176.91 177.43 3k53 h ASP 231 N 0.04 0.00 0.01 1.39 3.32 -1.52 0.18 116.42 119.84 3k53 h ASP 231 Ca -0.01 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 3k53 h ASP 231 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3k53 h ASP 231 CO 0.10 0.16 -0.71 -0.08 -1.72 0.00 0.00 179.24 176.98 3k53 h GLU 232 N 0.00 0.63 -0.05 3.56 4.57 -1.51 -2.96 114.58 118.82 3k53 h GLU 232 Ca -0.00 -0.49 -0.14 0.00 -1.18 0.00 0.00 59.36 57.55 3k53 h GLU 232 Cb 0.49 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3k53 h GLU 232 CO 0.02 1.11 -0.61 0.82 -1.18 0.00 0.00 179.01 179.17 3k53 h ILE 233 N 0.44 1.40 0.00 2.32 1.08 -1.12 -2.55 117.51 119.09 3k53 h ILE 233 Ca -0.03 -2.02 0.00 0.00 -0.39 0.00 0.00 64.86 62.42 3k53 h ILE 233 Cb 1.31 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 3k53 h ILE 233 CO 0.14 0.59 0.00 -0.07 -0.69 0.00 0.00 178.15 178.12 3k53 h LEU 234 N 0.12 0.00 0.09 1.44 3.38 -0.83 -1.99 115.31 117.52 3k53 h LEU 234 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k53 h LEU 234 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3k53 h LEU 234 CO 0.09 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.69 3k53 h LYS 235 N 0.00 -0.11 -0.13 1.13 1.57 -1.38 -2.35 116.57 115.29 3k53 h LYS 235 Ca 0.00 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3k53 h LYS 235 Cb 0.06 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3k53 h LYS 235 CO 0.00 -0.08 0.34 0.45 -0.57 0.00 0.00 179.45 179.59 3k53 h HIS 236 N -0.46 0.00 0.21 -1.35 3.86 -1.57 -0.79 115.15 115.05 3k53 h HIS 236 Ca -0.01 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.87 3k53 h HIS 236 Cb 0.09 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.58 3k53 h HIS 236 CO 0.03 0.00 -1.57 0.97 0.86 0.00 0.00 177.93 178.22 3k53 h ILE 237 N 0.00 1.11 0.00 2.45 2.10 -1.44 -3.22 117.51 118.52 3k53 h ILE 237 Ca 0.06 -2.58 -0.08 0.00 1.08 0.00 0.00 64.86 63.34 3k53 h ILE 237 Cb 0.74 2.90 -0.01 0.00 -1.09 0.00 0.00 36.82 39.36 3k53 h ILE 237 CO -0.00 0.82 -0.40 0.77 -1.08 0.00 0.00 178.15 178.26 3k53 h SER 238 N 0.07 0.00 -0.53 2.19 4.64 -0.62 -2.22 113.55 117.08 3k53 h SER 238 Ca -0.30 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 3k53 h SER 238 Cb 2.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.15 3k53 h SER 238 CO 0.21 0.40 0.06 -0.08 -0.87 0.00 0.00 176.83 176.55 3k53 h GLU 239 N 0.00 0.90 -0.00 4.77 4.81 -1.37 -1.65 114.58 122.03 3k53 h GLU 239 Ca -0.00 -0.26 -0.20 0.00 -0.13 0.00 0.00 59.36 58.77 3k53 h GLU 239 Cb 0.88 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3k53 h GLU 239 CO 0.05 0.89 -0.88 1.25 -0.73 0.00 0.00 179.01 179.59 3k53 h LEU 240 N 0.78 0.36 -0.96 1.64 5.85 -1.55 -3.24 115.31 118.19 3k53 h LEU 240 Ca 0.16 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3k53 h LEU 240 Cb 0.45 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3k53 h LEU 240 CO 0.02 1.08 0.43 -0.33 -0.34 0.00 0.00 178.44 179.29 3k53 h GLU 241 N 0.16 1.17 -0.44 1.25 5.08 -1.16 -2.89 114.58 117.74 3k53 h GLU 241 Ca -0.05 -0.15 0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3k53 h GLU 241 Cb 1.50 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 30.45 3k53 h GLU 241 CO 0.14 0.87 -0.07 0.93 -1.00 0.00 0.00 179.01 179.89 3k53 h GLU 242 N 1.17 0.04 -0.92 2.33 5.08 -1.33 -2.75 114.58 118.19 3k53 h GLU 242 Ca 0.29 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.79 3k53 h GLU 242 Cb 0.06 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 3k53 h GLU 242 CO -0.04 0.02 0.53 -0.22 -1.00 0.00 0.00 179.01 178.30 3k53 h LYS 243 N 0.04 0.74 -6.02 2.33 3.64 -1.64 -3.43 116.57 112.23 3k53 h LYS 243 Ca 0.22 -0.04 -0.61 0.00 -1.27 0.00 0.00 60.65 58.94 3k53 h LYS 243 Cb 0.33 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3k53 h LYS 243 CO -0.42 0.49 -0.53 0.71 -2.27 0.00 0.00 179.45 177.43 3k53 s TYR 244 N -5.95 3.41 -0.18 1.91 2.02 -1.04 -5.03 117.35 112.49 3k53 s TYR 244 Ca -0.12 0.17 -0.17 0.00 -0.37 0.00 0.00 57.07 56.58 3k53 s TYR 244 Cb 0.22 -1.69 -0.13 0.00 -0.40 0.00 0.00 41.96 39.95 3k53 s TYR 244 CO 0.79 0.56 0.10 -0.22 -1.57 0.00 0.00 175.55 175.20 3k53 h LYS 245 N 2.95 0.00 -7.20 -0.62 3.64 -1.83 -3.47 116.57 110.04 3k53 h LYS 245 Ca -0.46 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.38 3k53 h LYS 245 Cb 1.17 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 33.16 3k53 h LYS 245 CO 0.71 0.64 0.36 1.03 -2.27 0.00 0.00 179.45 179.93 3k53 s ARG 246 N -2.30 1.82 0.58 1.90 0.52 -1.26 -4.94 118.95 115.27 3k53 s ARG 246 Ca -0.23 1.76 -0.19 0.00 -0.52 0.00 0.00 55.73 56.55 3k53 s ARG 246 Cb 0.04 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 3k53 s ARG 246 CO 0.46 -2.08 1.18 -1.25 0.02 0.00 0.00 175.30 173.63 3k53 s PRO 247 N -4.06 3.06 0.39 3.54 0.04 -1.26 -4.84 135.00 131.87 3k53 s PRO 247 Ca 0.74 1.75 0.14 0.00 0.04 0.00 0.00 61.00 63.67 3k53 s PRO 247 Cb -0.29 -1.95 0.99 0.00 0.04 0.00 0.00 34.50 33.29 3k53 s PRO 247 CO 0.49 -1.12 1.85 -0.07 0.04 0.00 0.00 177.00 178.19 3k53 h LEU 248 N 0.92 0.50 -1.75 -3.56 3.38 -1.92 -1.14 115.31 111.74 3k53 h LEU 248 Ca -0.50 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 3k53 h LEU 248 Cb 1.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3k53 h LEU 248 CO 0.55 0.21 -0.06 -2.24 0.09 0.00 0.00 178.44 176.99 3k53 h ASP 249 N 0.51 0.07 0.06 -0.43 2.03 -1.85 -0.09 116.42 116.71 3k53 h ASP 249 Ca 0.48 -0.01 -0.19 0.00 -0.73 0.00 0.00 57.03 56.58 3k53 h ASP 249 Cb 1.04 -0.02 0.02 0.00 -0.83 0.00 0.00 39.33 39.55 3k53 h ASP 249 CO -0.21 0.15 -0.79 0.40 -1.03 0.00 0.00 179.24 177.76 3k53 h ILE 250 N 0.07 1.42 -0.41 4.15 1.08 -1.58 -1.78 117.51 120.46 3k53 h ILE 250 Ca 0.02 -2.27 0.05 0.00 -0.39 0.00 0.00 64.86 62.26 3k53 h ILE 250 Cb 0.16 2.77 -0.04 0.00 -3.07 0.00 0.00 36.82 36.64 3k53 h ILE 250 CO 0.01 0.66 0.15 0.58 -0.69 0.00 0.00 178.15 178.87 3k53 h VAL 251 N -0.09 0.89 -0.35 1.67 2.07 -1.12 0.25 116.25 119.57 3k53 h VAL 251 Ca -0.12 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3k53 h VAL 251 Cb 1.52 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3k53 h VAL 251 CO 0.15 0.06 -0.24 0.40 0.02 0.00 0.00 177.57 177.96 3k53 h ILE 252 N 0.32 1.27 -0.28 4.57 2.04 -1.09 -0.97 117.51 123.37 3k53 h ILE 252 Ca 0.19 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 3k53 h ILE 252 Cb 0.16 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3k53 h ILE 252 CO -0.18 0.44 -0.01 0.00 0.00 0.00 0.00 178.15 178.40 3k53 h ALA 253 N 1.11 0.38 -0.66 1.87 0.00 -0.65 -0.86 119.26 120.45 3k53 h ALA 253 Ca 0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3k53 h ALA 253 Cb 0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3k53 h ALA 253 CO 0.06 0.14 0.17 0.66 0.00 0.00 0.00 179.25 180.27 3k53 h SER 254 N 0.29 0.97 0.44 0.00 4.64 -0.44 -2.28 113.55 117.18 3k53 h SER 254 Ca 0.08 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 3k53 h SER 254 Cb 0.45 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3k53 h SER 254 CO 0.02 0.93 -0.22 1.56 -0.87 0.00 0.00 176.83 178.25 3k53 h GLN 255 N 0.99 0.00 -0.17 4.77 4.20 -0.80 -1.32 115.11 122.78 3k53 h GLN 255 Ca 0.21 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 3k53 h GLN 255 Cb 0.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3k53 h GLN 255 CO -0.00 0.22 -0.02 0.87 -0.67 0.00 0.00 178.83 179.22 3k53 h LYS 256 N 0.00 0.31 0.00 1.46 1.57 -0.59 -1.92 116.57 117.40 3k53 h LYS 256 Ca -0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3k53 h LYS 256 Cb 0.50 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3k53 h LYS 256 CO 0.03 0.56 -0.04 1.88 -0.57 0.00 0.00 179.45 181.31 3k53 h TYR 257 N 0.04 0.00 0.55 -1.35 -1.99 -1.12 0.17 116.97 113.27 3k53 h TYR 257 Ca 0.04 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 3k53 h TYR 257 Cb 0.44 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.17 3k53 h TYR 257 CO 0.05 0.04 -0.26 0.93 -0.00 0.00 0.00 178.16 178.91 3k53 h GLU 258 N 0.00 -0.71 -0.42 4.88 5.08 -0.85 -0.10 114.58 122.46 3k53 h GLU 258 Ca -0.00 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3k53 h GLU 258 Cb 0.08 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3k53 h GLU 258 CO 0.01 -0.45 0.28 0.35 -1.00 0.00 0.00 179.01 178.19 3k53 h PHE 259 N -0.79 0.47 -0.01 4.33 3.57 -0.52 -1.74 116.94 122.25 3k53 h PHE 259 Ca -0.08 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.31 3k53 h PHE 259 Cb 0.59 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3k53 h PHE 259 CO -0.03 0.28 -0.60 1.25 -2.23 0.00 0.00 178.31 176.98 3k53 h LEU 260 N 0.49 0.05 -0.10 0.59 5.85 -0.34 -1.58 115.31 120.27 3k53 h LEU 260 Ca 0.16 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3k53 h LEU 260 Cb 0.04 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3k53 h LEU 260 CO -0.04 0.64 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.25 3k53 h GLU 261 N 0.03 0.26 -0.56 1.25 5.08 -0.11 -0.74 114.58 119.80 3k53 h GLU 261 Ca -0.01 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3k53 h GLU 261 Cb 1.07 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3k53 h GLU 261 CO 0.08 0.70 0.21 1.96 -1.00 0.00 0.00 179.01 180.96 3k53 h GLN 262 N -0.16 0.82 0.06 2.33 4.20 -1.48 -1.87 115.11 119.01 3k53 h GLN 262 Ca 0.01 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3k53 h GLN 262 Cb 0.66 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3k53 h GLN 262 CO 0.03 0.69 -0.03 1.25 -0.67 0.00 0.00 178.83 180.10 3k53 h LEU 263 N 0.81 -0.07 -1.08 1.46 5.85 -1.20 -3.21 115.31 117.87 3k53 h LEU 263 Ca 0.19 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 3k53 h LEU 263 Cb 0.19 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3k53 h LEU 263 CO -0.01 0.28 0.27 -0.07 -0.34 0.00 0.00 178.44 178.57 3k53 h LEU 264 N -0.42 0.84 -1.82 2.25 3.38 -0.97 -1.86 115.31 116.71 3k53 h LEU 264 Ca -0.01 -0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.05 3k53 h LEU 264 Cb 0.37 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3k53 h LEU 264 CO 0.01 0.74 0.65 0.03 0.09 0.00 0.00 178.44 179.96 3k53 h ARG 265 N 0.91 0.00 0.00 1.13 -0.00 -1.34 -1.74 114.38 113.34 3k53 h ARG 265 Ca 0.22 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.69 3k53 h ARG 265 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.12 3k53 h ARG 265 CO -0.02 0.00 -0.07 0.87 0.00 0.00 0.00 179.97 180.74 3k53 h LYS 266 N 0.00 0.00 -0.54 0.04 1.57 -1.40 -3.39 116.57 112.85 3k53 h LYS 266 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3k53 h LYS 266 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.91 3k53 h LYS 266 CO -0.00 0.54 0.00 1.97 -0.57 0.00 0.00 179.45 181.38 3k53 n PHE 267 N -4.67 0.71 -4.36 -1.35 -1.74 -1.08 -4.94 117.46 100.02 3k53 n PHE 267 Ca -0.07 -0.35 -0.27 0.00 -0.56 0.00 0.00 57.45 56.20 3k53 n PHE 267 Cb 0.28 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.17 3k53 n PHE 267 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3k53 s VAL 268 N -1.29 2.68 -0.14 1.97 1.01 -0.68 -0.29 120.40 123.66 3k53 s VAL 268 Ca 0.41 -1.81 -0.08 0.00 0.00 0.00 0.00 61.98 60.50 3k53 s VAL 268 Cb 0.22 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 34.37 3k53 s VAL 268 CO 0.30 -0.07 0.35 -0.69 0.00 0.00 0.00 175.10 174.99 3k53 s VAL 269 N -1.55 -0.03 -0.43 2.92 1.01 -0.93 -4.83 120.40 116.57 3k53 s VAL 269 Ca 0.21 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 3k53 s VAL 269 Cb -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.80 3k53 s VAL 269 CO 0.11 0.04 0.92 -1.00 0.00 0.00 0.00 175.10 175.18 3k53 s HIS 270 N 1.27 2.98 0.00 5.22 3.76 -1.26 -1.14 115.29 126.11 3k53 s HIS 270 Ca -0.09 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 3k53 s HIS 270 Cb -0.09 -3.85 0.00 0.00 1.11 0.00 0.00 32.58 29.75 3k53 s HIS 270 CO -0.10 -1.00 0.00 0.39 -0.85 0.00 0.00 174.74 173.18