#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n ARG 3 N 0.00 -1.19 0.00 0.00 -4.01 -1.26 -4.63 116.66 105.57 3i9b n ARG 3 Ca 0.00 0.12 0.00 0.00 -1.04 0.00 0.00 57.85 56.93 3i9b n ARG 3 Cb 0.00 -3.96 0.00 0.00 -3.04 0.00 0.00 32.46 25.46 3i9b n ARG 3 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 3i9b n ARG 4 N -0.96 0.18 -3.28 2.89 1.85 -1.26 -3.28 116.66 112.79 3i9b n ARG 4 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.77 3i9b n ARG 4 Cb 0.07 -1.06 -0.05 0.00 -1.05 0.00 0.00 32.46 30.37 3i9b n ARG 4 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3i9b s ARG 5 N -1.35 0.44 0.00 2.89 1.70 -1.26 -5.04 118.95 116.33 3i9b s ARG 5 Ca 0.00 0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.57 3i9b s ARG 5 Cb 0.00 -0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.18 3i9b s ARG 5 CO 0.00 -0.95 0.00 0.54 -1.08 0.00 0.00 175.30 173.81 3i9b n ARG 6 N 5.37 0.00 -2.83 3.89 1.74 -1.21 -4.77 116.66 118.85 3i9b n ARG 6 Ca 0.01 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.98 3i9b n ARG 6 Cb 0.50 -0.82 0.01 0.00 -1.02 0.00 0.00 32.46 31.13 3i9b n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9b n ALA 7 N 0.23 -1.90 -0.84 7.54 0.00 -1.26 -4.86 120.51 119.43 3i9b n ALA 7 Ca 0.00 0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 3i9b n ALA 7 Cb 0.00 -0.88 0.11 0.00 0.00 0.00 0.00 19.45 18.67 3i9b n ALA 7 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i9b n GLU 8 N 0.72 -0.33 -2.43 0.00 -0.00 -1.26 -4.86 120.64 112.48 3i9b n GLU 8 Ca -0.02 -0.07 -0.43 0.00 -0.00 0.00 0.00 57.16 56.64 3i9b n GLU 8 Cb 0.46 -1.63 -0.02 0.00 -0.00 0.00 0.00 31.44 30.25 3i9b n GLU 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3i9b s VAL 9 N -2.29 4.15 -0.10 3.84 1.01 -1.26 -4.97 120.40 120.79 3i9b s VAL 9 Ca 0.52 1.30 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 3i9b s VAL 9 Cb -0.19 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 3i9b s VAL 9 CO 0.71 -0.48 1.91 -0.60 0.00 0.00 0.00 175.10 176.63 3i9b s ARG 10 N 4.16 3.81 -0.23 2.72 6.06 -1.26 -4.96 118.95 129.25 3i9b s ARG 10 Ca 0.56 2.18 -0.12 0.00 -2.50 0.00 0.00 55.73 55.85 3i9b s ARG 10 Cb -0.16 -4.16 -0.05 0.00 0.06 0.00 0.00 34.95 30.64 3i9b s ARG 10 CO 0.23 -1.31 0.21 -0.65 -2.50 0.00 0.00 175.30 171.28 3i9b s GLN 11 N 4.93 4.10 1.08 5.12 -0.21 -1.26 -5.09 119.66 128.33 3i9b s GLN 11 Ca 0.85 -0.16 -0.17 0.00 0.02 0.00 0.00 55.36 55.90 3i9b s GLN 11 Cb -0.35 -3.53 0.24 0.00 1.00 0.00 0.00 33.01 30.37 3i9b s GLN 11 CO 0.35 0.06 1.20 -0.51 -2.12 0.00 0.00 175.29 174.27 3i9b s LEU 12 N 1.05 1.64 -0.06 2.90 1.02 -1.26 -5.07 118.68 118.90 3i9b s LEU 12 Ca 0.10 0.52 -0.13 0.00 0.02 0.00 0.00 54.13 54.65 3i9b s LEU 12 Cb -0.14 -2.44 -0.05 0.00 0.02 0.00 0.00 46.19 43.58 3i9b s LEU 12 CO 0.05 -3.40 0.32 -1.10 0.02 0.00 0.00 176.35 172.24 3i9b s GLN 13 N -5.58 3.87 0.80 1.70 -1.52 -1.26 -5.03 119.66 112.63 3i9b s GLN 13 Ca 0.71 0.22 -0.13 0.00 -1.95 0.00 0.00 55.36 54.21 3i9b s GLN 13 Cb -0.08 -3.26 0.08 0.00 -0.22 0.00 0.00 33.01 29.54 3i9b s GLN 13 CO 0.55 0.62 1.21 -1.25 -0.25 0.00 0.00 175.29 176.16 3i9b s PRO 14 N -0.73 1.65 0.22 2.91 0.04 -1.26 -4.85 135.00 132.98 3i9b s PRO 14 Ca 0.20 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 3i9b s PRO 14 Cb -0.15 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.66 3i9b s PRO 14 CO 0.09 -2.21 0.31 -0.40 0.04 0.00 0.00 177.00 174.82 3i9b n ASP 15 N -3.26 0.34 -4.59 6.66 5.75 -1.26 -4.84 116.55 115.34 3i9b n ASP 15 Ca 0.14 -1.30 -0.41 0.00 -0.01 0.00 0.00 54.79 53.21 3i9b n ASP 15 Cb 0.50 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.32 3i9b n ASP 15 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3i9b s LEU 16 N 0.00 4.16 0.00 -2.12 2.01 -1.26 -3.45 118.68 118.02 3i9b s LEU 16 Ca 0.20 0.34 0.00 0.00 0.01 0.00 0.00 54.13 54.68 3i9b s LEU 16 Cb -0.01 -2.70 0.00 0.00 0.01 0.00 0.00 46.19 43.49 3i9b s LEU 16 CO 0.13 -0.41 0.00 0.52 1.01 0.00 0.00 176.35 177.61 3i9b n VAL 17 N 5.32 0.00 0.00 -1.59 0.31 -1.26 -4.83 118.33 116.28 3i9b n VAL 17 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3i9b n VAL 17 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 3i9b n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3i9b n TYR 18 N -2.00 0.00 -3.57 3.52 4.02 -1.26 -5.02 117.16 112.85 3i9b n TYR 18 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 3i9b n TYR 18 Cb 0.00 0.25 0.05 0.00 -0.02 0.00 0.00 39.34 39.63 3i9b n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i9b n GLY 19 N 1.98 -0.44 0.22 2.72 0.00 -1.22 -4.90 105.19 103.54 3i9b n GLY 19 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3i9b n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3i9b h ASP 20 N -1.80 0.84 -0.85 1.61 2.03 -1.93 -3.46 116.42 112.86 3i9b h ASP 20 Ca -0.61 -0.50 -0.27 0.00 -0.73 0.00 0.00 57.03 54.92 3i9b h ASP 20 Cb 1.35 -0.24 -0.09 0.00 -0.83 0.00 0.00 39.33 39.51 3i9b h ASP 20 CO 0.53 1.28 -0.27 1.33 -1.03 0.00 0.00 179.24 181.08 3i9b n VAL 21 N -3.95 -0.10 0.05 4.15 0.24 -1.26 -4.65 118.33 112.81 3i9b n VAL 21 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3i9b n VAL 21 Cb 0.68 -1.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 3i9b n VAL 21 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3i9b n LEU 22 N -1.59 -0.70 -0.35 1.34 7.94 -1.26 -4.94 117.00 117.44 3i9b n LEU 22 Ca -0.14 0.20 0.09 0.00 -1.11 0.00 0.00 56.01 55.05 3i9b n LEU 22 Cb 0.47 0.89 0.19 0.00 0.53 0.00 0.00 43.42 45.51 3i9b n LEU 22 CO 0.20 -0.40 0.70 0.52 -1.11 0.00 0.00 177.39 177.30 3i9b n VAL 23 N -2.76 -0.41 -0.33 1.96 0.31 -1.26 0.17 118.33 116.00 3i9b n VAL 23 Ca 0.00 2.21 0.04 0.00 -0.01 0.00 0.00 64.34 66.58 3i9b n VAL 23 Cb 0.00 -3.12 0.12 0.00 -0.91 0.00 0.00 33.84 29.92 3i9b n VAL 23 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3i9b h THR 24 N 0.00 0.07 -0.07 2.52 1.35 -1.92 0.06 112.91 114.92 3i9b h THR 24 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.38 3i9b h THR 24 Cb 0.91 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 3i9b h THR 24 CO -0.98 0.00 0.05 0.00 -0.25 0.00 0.00 175.52 174.34 3i9b h ALA 25 N 1.88 0.09 -0.89 6.62 0.00 -0.65 -2.72 119.26 123.60 3i9b h ALA 25 Ca 0.44 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.56 3i9b h ALA 25 Cb 0.67 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3i9b h ALA 25 CO -0.95 -0.41 0.61 0.35 0.00 0.00 0.00 179.25 178.84 3i9b h PHE 26 N 0.10 0.31 -0.05 0.00 3.57 -0.86 -0.28 116.94 119.72 3i9b h PHE 26 Ca 0.03 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.32 3i9b h PHE 26 Cb -0.01 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.64 3i9b h PHE 26 CO -0.07 0.08 -0.86 0.82 -2.23 0.00 0.00 178.31 176.04 3i9b h ILE 27 N 0.23 1.35 -0.54 1.41 5.03 -1.16 -3.19 117.51 120.65 3i9b h ILE 27 Ca 0.45 -2.23 0.03 0.00 -0.12 0.00 0.00 64.86 62.98 3i9b h ILE 27 Cb 1.38 2.24 -0.04 0.00 -3.03 0.00 0.00 36.82 37.37 3i9b h ILE 27 CO -0.11 0.68 0.31 0.78 -0.68 0.00 0.00 178.15 179.13 3i9b h ASN 28 N 0.33 0.49 0.20 1.72 2.35 -0.93 0.70 115.58 120.44 3i9b h ASN 28 Ca -0.07 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3i9b h ASN 28 Cb 1.48 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.76 3i9b h ASN 28 CO 0.16 0.34 0.00 0.29 -1.65 0.00 0.00 177.43 176.57 3i9b n LYS 29 N -4.80 0.08 -0.03 0.81 4.76 -0.99 0.28 118.16 118.28 3i9b n LYS 29 Ca 0.04 0.50 -0.05 0.00 -2.87 0.00 0.00 58.31 55.94 3i9b n LYS 29 Cb 0.09 -1.73 -0.13 0.00 -1.84 0.00 0.00 35.03 31.42 3i9b n LYS 29 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3i9b n ILE 30 N -1.90 1.26 -1.72 -0.18 2.08 0.11 -4.86 119.36 114.15 3i9b n ILE 30 Ca 0.00 -0.76 -0.30 0.00 0.56 0.00 0.00 62.75 62.25 3i9b n ILE 30 Cb 0.08 -0.67 -0.04 0.00 -0.75 0.00 0.00 39.64 38.26 3i9b n ILE 30 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 3i9b s MET 31 N -2.75 2.15 -0.32 0.38 1.75 0.14 -4.89 119.30 115.76 3i9b s MET 31 Ca -0.06 0.84 -0.12 0.00 -1.25 0.00 0.00 55.69 55.09 3i9b s MET 31 Cb 0.08 -4.64 -0.03 0.00 2.84 0.00 0.00 34.83 33.08 3i9b s MET 31 CO 0.83 -3.44 0.24 1.03 -0.65 0.00 0.00 175.02 173.03 3i9b s ARG 32 N 8.01 3.69 -0.03 4.11 0.52 -1.26 -4.45 118.95 129.54 3i9b s ARG 32 Ca 0.87 -0.47 -0.00 0.00 -0.52 0.00 0.00 55.73 55.60 3i9b s ARG 32 Cb -0.14 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.58 3i9b s ARG 32 CO 0.18 -0.35 0.02 -0.25 0.02 0.00 0.00 175.30 174.92 3i9b n ASP 33 N 5.13 -2.06 -3.55 0.23 9.92 -1.26 -4.44 116.55 120.52 3i9b n ASP 33 Ca -0.13 -0.01 -0.23 0.00 -0.53 0.00 0.00 54.79 53.89 3i9b n ASP 33 Cb 0.51 -0.60 0.01 0.00 -0.64 0.00 0.00 41.12 40.39 3i9b n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i9b n GLY 34 N -0.74 -0.95 2.63 0.44 0.00 -1.26 -4.95 105.19 100.37 3i9b n GLY 34 Ca -0.00 0.77 -0.09 0.00 0.00 0.00 0.00 46.02 46.69 3i9b n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9b n LYS 35 N -1.76 1.12 0.09 1.61 5.02 -1.26 -4.95 118.16 118.03 3i9b n LYS 35 Ca -0.19 -2.43 0.03 0.00 -2.02 0.00 0.00 58.31 53.71 3i9b n LYS 35 Cb 0.65 -0.76 0.18 0.00 -0.02 0.00 0.00 35.03 35.07 3i9b n LYS 35 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3i9b n LYS 36 N -0.16 0.05 0.00 1.97 4.81 -1.26 -1.62 118.16 121.95 3i9b n LYS 36 Ca 0.05 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3i9b n LYS 36 Cb 0.79 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.89 3i9b n LYS 36 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i9b n ASN 37 N -1.68 0.00 0.14 3.14 4.05 -1.26 -1.02 115.26 118.63 3i9b n ASN 37 Ca -0.00 0.87 0.19 0.00 0.45 0.00 0.00 54.58 56.08 3i9b n ASN 37 Cb 0.31 -0.48 0.78 0.00 1.23 0.00 0.00 39.78 41.61 3i9b n ASN 37 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3i9b h LEU 38 N 0.00 0.00 0.00 1.20 4.07 -1.73 -0.24 115.31 118.61 3i9b h LEU 38 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3i9b h LEU 38 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3i9b h LEU 38 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 3i9b n ALA 39 N -2.31 -0.06 -0.23 1.53 0.00 -0.94 -1.28 120.51 117.22 3i9b n ALA 39 Ca 0.05 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.80 3i9b n ALA 39 Cb 0.51 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.69 3i9b n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9b h ALA 40 N -2.00 2.94 0.01 0.00 0.00 -0.86 -2.02 119.26 117.32 3i9b h ALA 40 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i9b h ALA 40 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i9b h ALA 40 CO 0.00 -1.25 -0.01 -0.09 0.00 0.00 0.00 179.25 177.90 3i9b h ARG 41 N 0.00 -0.01 -0.59 0.00 2.43 -0.94 -0.94 114.38 114.33 3i9b h ARG 41 Ca 0.48 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.82 3i9b h ARG 41 Cb 1.94 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.47 3i9b h ARG 41 CO -0.01 -0.01 0.57 0.82 -1.51 0.00 0.00 179.97 179.83 3i9b h ILE 42 N -0.01 0.38 0.09 1.20 2.04 -0.48 0.83 117.51 121.56 3i9b h ILE 42 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3i9b h ILE 42 Cb 0.01 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3i9b h ILE 42 CO -0.00 0.00 -0.04 0.15 0.00 0.00 0.00 178.15 178.26 3i9b h PHE 43 N 0.00 -0.11 -0.92 1.37 3.57 -0.94 -1.94 116.94 117.96 3i9b h PHE 43 Ca 0.28 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.96 3i9b h PHE 43 Cb 1.41 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 40.11 3i9b h PHE 43 CO 0.00 -0.07 0.60 1.88 -2.23 0.00 0.00 178.31 178.49 3i9b h TYR 44 N -0.29 0.74 -0.73 0.41 -1.99 -1.05 0.86 116.97 114.92 3i9b h TYR 44 Ca -0.01 0.02 0.16 0.00 2.00 0.00 0.00 58.73 60.90 3i9b h TYR 44 Cb 0.09 -0.23 -0.13 0.00 2.00 0.00 0.00 36.73 38.47 3i9b h TYR 44 CO 0.06 0.21 -0.02 0.22 -0.00 0.00 0.00 178.16 178.63 3i9b h ASP 45 N 0.57 -0.38 0.42 3.88 -0.00 -0.86 0.65 116.42 120.70 3i9b h ASP 45 Ca 0.49 0.19 -0.20 0.00 -0.00 0.00 0.00 57.03 57.51 3i9b h ASP 45 Cb 0.98 0.35 -0.01 0.00 -0.00 0.00 0.00 39.33 40.65 3i9b h ASP 45 CO -0.23 -0.18 -0.85 0.00 -0.00 0.00 0.00 179.24 177.99 3i9b h ALA 46 N 1.69 0.51 -0.57 -0.78 0.00 0.15 -3.04 119.26 117.21 3i9b h ALA 46 Ca 0.39 -0.68 0.17 0.00 0.00 0.00 0.00 54.91 54.78 3i9b h ALA 46 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3i9b h ALA 46 CO -0.65 0.84 0.46 0.00 0.00 0.00 0.00 179.25 179.90 3i9b h LYS 48 N 0.00 0.00 0.00 0.00 1.79 -1.30 -3.05 116.57 114.01 3i9b h LYS 48 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3i9b h LYS 48 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3i9b h LYS 48 CO -0.00 0.63 0.00 -0.89 -1.08 0.00 0.00 179.45 178.11 3i9b n ILE 49 N -3.18 0.96 0.00 1.86 2.08 0.13 -3.03 119.36 118.19 3i9b n ILE 49 Ca -0.04 0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.51 3i9b n ILE 49 Cb 0.87 -1.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.76 3i9b n ILE 49 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3i9b n ILE 50 N -1.56 0.00 -0.47 1.39 2.08 -1.06 -3.24 119.36 116.51 3i9b n ILE 50 Ca 0.03 1.29 0.36 0.00 0.56 0.00 0.00 62.75 64.99 3i9b n ILE 50 Cb 0.18 -2.28 0.55 0.00 -0.75 0.00 0.00 39.64 37.34 3i9b n ILE 50 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i9b n GLN 51 N -1.97 -0.00 0.00 0.38 1.13 -1.17 -1.23 117.38 114.53 3i9b n GLN 51 Ca 0.00 0.77 0.00 0.00 -1.94 0.00 0.00 57.00 55.83 3i9b n GLN 51 Cb 0.00 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 28.62 3i9b n GLN 51 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3i9b n GLU 52 N -3.45 0.00 0.00 -1.09 -0.58 -1.21 -4.17 120.64 110.14 3i9b n GLU 52 Ca 0.30 0.22 0.05 0.00 -0.42 0.00 0.00 57.16 57.31 3i9b n GLU 52 Cb 1.35 -0.71 0.25 0.00 -0.57 0.00 0.00 31.44 31.77 3i9b n GLU 52 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3i9b n LYS 53 N -1.22 0.20 -3.64 3.49 5.02 -1.07 -4.61 118.16 116.33 3i9b n LYS 53 Ca 0.00 0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 3i9b n LYS 53 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.44 3i9b n LYS 53 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3i9b s THR 54 N -2.33 0.00 -0.38 -0.18 -1.32 -0.36 -5.06 115.64 106.01 3i9b s THR 54 Ca 0.11 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.54 3i9b s THR 54 Cb 0.06 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.96 3i9b s THR 54 CO 0.13 0.00 3.14 0.61 -2.21 0.00 0.00 174.62 176.29 3i9b n GLY 55 N 3.47 3.80 3.55 6.08 0.00 -1.26 -3.23 105.19 117.59 3i9b n GLY 55 Ca -0.17 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 3i9b n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i9b s GLN 56 N -0.24 1.83 -0.33 1.61 -1.52 -1.26 -5.07 119.66 114.68 3i9b s GLN 56 Ca 0.63 -1.96 -0.21 0.00 -1.95 0.00 0.00 55.36 51.87 3i9b s GLN 56 Cb 0.33 -1.65 -0.00 0.00 -0.22 0.00 0.00 33.01 31.47 3i9b s GLN 56 CO -0.11 0.10 0.65 -1.21 -0.25 0.00 0.00 175.29 174.47 3i9b s GLU 57 N -3.64 3.79 0.58 2.91 8.01 -1.26 -4.31 118.70 124.79 3i9b s GLU 57 Ca 0.33 0.21 0.35 0.00 0.01 0.00 0.00 54.97 55.86 3i9b s GLU 57 Cb 0.04 -3.77 1.33 0.00 -4.31 0.00 0.00 34.13 27.42 3i9b s GLU 57 CO 0.16 -0.67 1.56 -1.00 0.01 0.00 0.00 175.26 175.32 3i9b h PRO 58 N 8.33 0.00 0.00 0.39 0.13 -1.97 0.30 132.00 139.18 3i9b h PRO 58 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3i9b h PRO 58 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3i9b h PRO 58 CO 0.83 0.00 0.01 -0.11 -0.23 0.00 0.00 178.00 178.50 3i9b n LEU 59 N -3.65 0.00 0.00 1.56 7.94 -1.26 -1.16 117.00 120.43 3i9b n LEU 59 Ca 0.26 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 3i9b n LEU 59 Cb 1.46 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 45.22 3i9b n LEU 59 CO 0.32 -0.18 -0.27 0.29 -1.11 0.00 0.00 177.39 176.44 3i9b n LYS 60 N -1.17 2.26 0.25 1.96 5.02 0.11 -4.06 118.16 122.53 3i9b n LYS 60 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3i9b n LYS 60 Cb 0.01 -0.77 0.68 0.00 -0.02 0.00 0.00 35.03 34.93 3i9b n LYS 60 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i9b h VAL 61 N 0.00 0.72 0.00 -0.18 2.07 -1.15 -1.96 116.25 115.75 3i9b h VAL 61 Ca 0.00 -0.51 -0.21 0.00 0.82 0.00 0.00 66.70 66.80 3i9b h VAL 61 Cb 0.43 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3i9b h VAL 61 CO 0.00 0.13 -1.29 0.33 0.02 0.00 0.00 177.57 176.76 3i9b n PHE 62 N -3.85 0.81 -0.02 1.57 7.35 -0.31 -3.49 117.46 119.53 3i9b n PHE 62 Ca -0.02 0.35 -0.15 0.00 -0.76 0.00 0.00 57.45 56.87 3i9b n PHE 62 Cb 0.23 -1.00 -0.10 0.00 0.35 0.00 0.00 39.48 38.96 3i9b n PHE 62 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3i9b h LYS 63 N -1.00 -0.53 0.40 -4.13 1.63 -1.68 -1.21 116.57 110.04 3i9b h LYS 63 Ca -0.32 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 3i9b h LYS 63 Cb 1.18 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 3i9b h LYS 63 CO -0.19 -0.36 -0.19 0.37 -3.45 0.00 0.00 179.45 175.63 3i9b h GLN 64 N -0.55 -0.52 -0.88 1.90 5.75 -1.59 -1.77 115.11 117.45 3i9b h GLN 64 Ca 0.03 0.04 0.25 0.00 -0.15 0.00 0.00 58.65 58.82 3i9b h GLN 64 Cb 0.66 0.12 -0.16 0.00 1.07 0.00 0.00 27.48 29.16 3i9b h GLN 64 CO -0.44 -0.27 0.03 0.00 -2.65 0.00 0.00 178.83 175.50 3i9b n ALA 65 N -2.41 0.46 0.06 3.38 0.00 -1.14 0.29 120.51 121.16 3i9b n ALA 65 Ca -0.11 0.94 -0.13 0.00 0.00 0.00 0.00 53.44 54.14 3i9b n ALA 65 Cb 0.26 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 3i9b n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i9b h VAL 66 N 0.00 0.97 0.00 0.00 2.07 -0.78 -0.83 116.25 117.68 3i9b h VAL 66 Ca 0.54 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.98 3i9b h VAL 66 Cb 1.13 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3i9b h VAL 66 CO -0.82 0.02 0.21 -0.08 0.02 0.00 0.00 177.57 176.92 3i9b h GLU 67 N -0.11 0.00 -0.42 1.57 4.57 0.51 0.20 114.58 120.90 3i9b h GLU 67 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3i9b h GLU 67 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3i9b h GLU 67 CO 0.01 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.93 3i9b n ASN 68 N -2.93 3.17 -2.62 1.04 3.02 0.81 -4.17 115.26 113.59 3i9b n ASN 68 Ca -0.02 -1.95 -0.10 0.00 -0.03 0.00 0.00 54.58 52.48 3i9b n ASN 68 Cb 0.26 -0.27 0.03 0.00 -0.61 0.00 0.00 39.78 39.19 3i9b n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i9b n VAL 69 N 1.28 1.50 -4.06 2.41 0.31 0.72 -4.78 118.33 115.71 3i9b n VAL 69 Ca 0.19 -3.39 -0.32 0.00 -0.01 0.00 0.00 64.34 60.82 3i9b n VAL 69 Cb 0.55 0.44 -0.15 0.00 -0.91 0.00 0.00 33.84 33.77 3i9b n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i9b s LYS 70 N -3.53 2.06 0.08 5.55 1.02 -1.22 -3.97 119.74 119.73 3i9b s LYS 70 Ca 0.33 -1.47 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 3i9b s LYS 70 Cb 0.39 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.63 3i9b s LYS 70 CO -0.02 -0.66 1.78 -1.25 -0.92 0.00 0.00 175.35 174.28 3i9b s PRO 71 N 1.05 4.16 0.09 -1.68 0.04 -1.26 -4.89 135.00 132.51 3i9b s PRO 71 Ca -0.04 2.49 -0.16 0.00 0.04 0.00 0.00 61.00 63.33 3i9b s PRO 71 Cb -0.20 -3.70 -0.10 0.00 0.04 0.00 0.00 34.50 30.55 3i9b s PRO 71 CO -0.06 -0.82 1.41 -0.09 0.04 0.00 0.00 177.00 177.48 3i9b h ARG 72 N 8.85 0.63 -3.39 4.56 9.65 -1.95 -3.42 114.38 129.32 3i9b h ARG 72 Ca -0.45 -0.33 -0.09 0.00 -1.10 0.00 0.00 59.98 58.00 3i9b h ARG 72 Cb 1.21 0.01 -0.17 0.00 -1.39 0.00 0.00 29.97 29.64 3i9b h ARG 72 CO 0.94 0.93 -0.27 -1.64 2.80 0.00 0.00 179.97 182.73 3i9b s MET 73 N -4.36 0.80 0.31 0.20 -1.94 -1.26 -2.58 119.30 110.47 3i9b s MET 73 Ca -0.13 -0.57 0.02 0.00 -1.71 0.00 0.00 55.69 53.31 3i9b s MET 73 Cb 0.08 0.34 -0.02 0.00 2.01 0.00 0.00 34.83 37.24 3i9b s MET 73 CO 0.81 -0.26 0.33 -1.83 -0.01 0.00 0.00 175.02 174.06 3i9b s GLU 74 N -2.69 1.71 -0.29 2.03 -1.05 -0.21 -4.22 118.70 113.98 3i9b s GLU 74 Ca -0.04 -1.85 -0.23 0.00 -0.15 0.00 0.00 54.97 52.70 3i9b s GLU 74 Cb -0.00 0.36 -0.00 0.00 -0.44 0.00 0.00 34.13 34.04 3i9b s GLU 74 CO -0.04 -0.66 0.78 0.14 0.95 0.00 0.00 175.26 176.43 3i9b s VAL 75 N -3.45 4.82 -0.41 1.83 -7.23 -1.26 -0.27 120.40 114.42 3i9b s VAL 75 Ca 0.37 1.24 0.01 0.00 -1.81 0.00 0.00 61.98 61.79 3i9b s VAL 75 Cb 0.02 -4.12 0.11 0.00 0.56 0.00 0.00 36.38 32.96 3i9b s VAL 75 CO 0.22 -0.19 0.17 -0.13 -0.31 0.00 0.00 175.10 174.86 3i9b s ARG 76 N 2.88 1.82 0.05 4.82 0.52 0.19 -4.93 118.95 124.31 3i9b s ARG 76 Ca 0.32 -2.00 -0.36 0.00 -0.52 0.00 0.00 55.73 53.17 3i9b s ARG 76 Cb -0.14 -3.41 -0.15 0.00 0.52 0.00 0.00 34.95 31.77 3i9b s ARG 76 CO 0.11 -1.03 1.53 0.45 0.02 0.00 0.00 175.30 176.38 3i9b n SER 77 N 4.18 2.43 -0.23 0.23 2.88 -1.26 -2.84 113.62 119.02 3i9b n SER 77 Ca 0.02 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3i9b n SER 77 Cb 0.40 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3i9b n SER 77 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i9b n ARG 78 N 3.64 1.58 -0.55 -1.46 3.00 -1.16 -4.91 116.66 116.79 3i9b n ARG 78 Ca 0.19 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 58.01 3i9b n ARG 78 Cb 0.23 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.71 3i9b n ARG 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3i9b n ARG 79 N 0.00 1.47 -0.70 5.56 0.63 -1.26 -3.94 116.66 118.42 3i9b n ARG 79 Ca 0.00 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 3i9b n ARG 79 Cb 0.00 -0.85 0.00 0.00 0.45 0.00 0.00 32.46 32.06 3i9b n ARG 79 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 3i9b n VAL 80 N -2.99 0.00 -1.78 5.15 3.14 -1.26 -3.85 118.33 116.74 3i9b n VAL 80 Ca 0.01 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.39 3i9b n VAL 80 Cb 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 3i9b n VAL 80 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i9b n GLY 81 N 0.06 -0.49 1.79 7.55 0.00 -1.26 -3.58 105.19 109.26 3i9b n GLY 81 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 3i9b n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9b n GLY 82 N -1.10 0.42 2.13 -0.02 0.00 -1.26 -2.43 105.19 102.93 3i9b n GLY 82 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3i9b n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9b n ALA 83 N -0.05 -3.04 0.29 4.61 0.00 -1.25 -5.02 120.51 116.05 3i9b n ALA 83 Ca -0.04 0.52 0.03 0.00 0.00 0.00 0.00 53.44 53.95 3i9b n ALA 83 Cb 0.20 -1.63 0.01 0.00 0.00 0.00 0.00 19.45 18.03 3i9b n ALA 83 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i9b n ASN 84 N -0.30 1.23 -4.55 0.00 3.02 -1.02 -4.92 115.26 108.71 3i9b n ASN 84 Ca 0.05 -1.11 -0.26 0.00 -0.03 0.00 0.00 54.58 53.23 3i9b n ASN 84 Cb 0.19 0.27 0.12 0.00 -0.61 0.00 0.00 39.78 39.75 3i9b n ASN 84 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i9b s TYR 85 N -0.85 1.83 -0.11 3.10 1.51 -1.25 -4.99 117.35 116.59 3i9b s TYR 85 Ca 0.07 0.03 0.14 0.00 -1.01 0.00 0.00 57.07 56.29 3i9b s TYR 85 Cb 0.05 -3.37 0.29 0.00 -0.11 0.00 0.00 41.96 38.82 3i9b s TYR 85 CO 0.13 -1.93 1.18 1.04 -1.11 0.00 0.00 175.55 174.85 3i9b n GLN 86 N -3.13 0.55 -0.96 -0.62 6.02 -1.26 -2.97 117.38 115.02 3i9b n GLN 86 Ca 0.14 -1.74 -0.35 0.00 -0.01 0.00 0.00 57.00 55.03 3i9b n GLN 86 Cb 0.60 -0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.82 3i9b n GLN 86 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i9b n VAL 87 N -0.26 0.64 -3.13 5.09 0.31 -1.13 -3.46 118.33 116.39 3i9b n VAL 87 Ca -0.10 -0.16 -0.41 0.00 -0.01 0.00 0.00 64.34 63.66 3i9b n VAL 87 Cb 0.88 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.75 3i9b n VAL 87 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3i9b s PRO 88 N -0.32 4.04 0.44 5.55 0.04 -1.26 0.55 135.00 144.03 3i9b s PRO 88 Ca 0.51 0.44 0.07 0.00 0.04 0.00 0.00 61.00 62.07 3i9b s PRO 88 Cb -0.73 -3.67 -0.01 0.00 0.04 0.00 0.00 34.50 30.13 3i9b s PRO 88 CO 0.37 -0.46 0.39 -1.64 0.04 0.00 0.00 177.00 175.71 3i9b s MET 89 N 2.51 2.47 0.53 4.56 -1.94 0.62 -4.91 119.30 123.15 3i9b s MET 89 Ca 0.25 -1.62 -0.07 0.00 -1.71 0.00 0.00 55.69 52.54 3i9b s MET 89 Cb -0.15 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 3i9b s MET 89 CO 0.10 -0.28 0.87 -1.21 -0.01 0.00 0.00 175.02 174.49 3i9b s GLU 90 N -4.16 3.47 -0.28 2.03 2.02 -1.26 -1.04 118.70 119.47 3i9b s GLU 90 Ca 0.46 0.32 -0.10 0.00 0.02 0.00 0.00 54.97 55.68 3i9b s GLU 90 Cb -0.03 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 3i9b s GLU 90 CO 0.27 -0.38 0.15 0.08 0.02 0.00 0.00 175.26 175.41 3i9b s VAL 91 N -2.90 4.85 0.27 2.63 1.01 -1.07 -4.76 120.40 120.44 3i9b s VAL 91 Ca 0.50 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 3i9b s VAL 91 Cb -0.11 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 3i9b s VAL 91 CO 0.47 0.21 1.27 -1.20 0.00 0.00 0.00 175.10 175.86 3i9b n SER 92 N 5.01 2.32 -0.25 3.32 7.64 -1.26 -4.56 113.62 125.85 3i9b n SER 92 Ca -0.14 1.17 0.05 0.00 1.01 0.00 0.00 58.87 60.95 3i9b n SER 92 Cb 0.51 -1.39 0.18 0.00 -1.01 0.00 0.00 64.21 62.50 3i9b n SER 92 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3i9b h PRO 93 N 3.26 0.34 -0.60 1.43 0.13 -1.98 1.29 132.00 135.88 3i9b h PRO 93 Ca -0.44 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 3i9b h PRO 93 Cb 1.30 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 3i9b h PRO 93 CO 0.69 0.22 0.40 0.00 -0.23 0.00 0.00 178.00 179.08 3i9b h ARG 94 N 0.35 0.57 0.21 0.86 3.08 -2.00 -1.22 114.38 116.23 3i9b h ARG 94 Ca 0.41 -0.03 -0.34 0.00 0.07 0.00 0.00 59.98 60.08 3i9b h ARG 94 Cb 0.65 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.59 3i9b h ARG 94 CO -0.45 0.38 -1.59 -0.09 -1.07 0.00 0.00 179.97 177.14 3i9b h ARG 95 N 0.59 0.44 -0.41 0.04 2.43 0.26 -3.06 114.38 114.66 3i9b h ARG 95 Ca 0.26 -0.75 0.12 0.00 -0.81 0.00 0.00 59.98 58.80 3i9b h ARG 95 Cb 0.27 0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3i9b h ARG 95 CO -0.08 1.35 0.35 1.96 -1.51 0.00 0.00 179.97 182.04 3i9b h GLN 96 N 0.12 0.00 0.00 0.20 4.20 0.18 -2.07 115.11 117.73 3i9b h GLN 96 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3i9b h GLN 96 Cb 2.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.90 3i9b h GLN 96 CO 0.22 0.00 0.00 0.94 -0.67 0.00 0.00 178.83 179.32 3i9b n GLN 97 N -4.07 0.00 -0.35 1.46 -0.06 -0.51 -3.01 117.38 110.84 3i9b n GLN 97 Ca 0.07 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 55.04 3i9b n GLN 97 Cb 0.54 -0.66 0.01 0.00 -4.06 0.00 0.00 30.24 26.07 3i9b n GLN 97 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3i9b n SER 98 N -0.20 -0.66 -0.05 1.69 7.64 -1.10 -1.80 113.62 119.14 3i9b n SER 98 Ca 0.00 1.55 -0.15 0.00 1.01 0.00 0.00 58.87 61.28 3i9b n SER 98 Cb 0.00 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 62.79 3i9b n SER 98 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i9b h LEU 99 N 0.00 -1.76 0.00 -3.43 3.38 -1.54 -2.19 115.31 109.77 3i9b h LEU 99 Ca 0.27 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3i9b h LEU 99 Cb 0.49 0.70 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3i9b h LEU 99 CO -0.87 -0.45 0.00 0.00 0.09 0.00 0.00 178.44 177.21 3i9b n ALA 100 N -3.03 -0.03 -0.37 1.53 0.00 -0.74 -1.86 120.51 116.00 3i9b n ALA 100 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 3i9b n ALA 100 Cb 0.37 0.37 -0.05 0.00 0.00 0.00 0.00 19.45 20.14 3i9b n ALA 100 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9b n LEU 101 N -2.19 -0.85 -0.16 0.00 4.77 -1.16 -1.03 117.00 116.38 3i9b n LEU 101 Ca 0.00 1.62 -0.09 0.00 -0.03 0.00 0.00 56.01 57.51 3i9b n LEU 101 Cb 0.00 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3i9b n LEU 101 CO 0.00 -1.36 0.59 -0.09 -1.33 0.00 0.00 177.39 175.20 3i9b h ARG 102 N 0.00 -0.26 -0.88 3.23 2.43 -1.09 0.07 114.38 117.89 3i9b h ARG 102 Ca 0.20 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.50 3i9b h ARG 102 Cb 0.43 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.96 3i9b h ARG 102 CO -0.88 -0.17 0.51 -1.49 -1.51 0.00 0.00 179.97 176.43 3i9b h TRP 103 N -0.27 0.92 -0.45 2.20 6.55 -0.33 0.69 115.95 125.26 3i9b h TRP 103 Ca 0.17 0.03 0.04 0.00 0.95 0.00 0.00 58.89 60.08 3i9b h TRP 103 Cb 0.57 -0.28 -0.04 0.00 -0.86 0.00 0.00 29.16 28.55 3i9b h TRP 103 CO -0.64 0.36 0.22 -0.07 -1.05 0.00 0.00 178.44 177.25 3i9b h LEU 104 N 0.83 0.31 -0.30 -4.49 -0.00 -0.20 0.46 115.31 111.92 3i9b h LEU 104 Ca 0.43 0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 58.30 3i9b h LEU 104 Cb 0.44 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 3i9b h LEU 104 CO -0.27 0.22 0.05 0.58 -0.00 0.00 0.00 178.44 179.02 3i9b h VAL 105 N 0.44 1.23 0.21 1.22 2.07 -0.23 0.12 116.25 121.32 3i9b h VAL 105 Ca 0.20 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3i9b h VAL 105 Cb 0.12 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3i9b h VAL 105 CO -0.15 0.27 -0.10 1.56 0.02 0.00 0.00 177.57 179.17 3i9b h GLN 106 N 0.32 -0.27 -0.56 1.57 4.20 -0.52 -1.72 115.11 118.13 3i9b h GLN 106 Ca 0.09 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.84 3i9b h GLN 106 Cb 0.35 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3i9b h GLN 106 CO 0.01 -0.07 0.35 0.00 -0.67 0.00 0.00 178.83 178.45 3i9b h ALA 107 N 0.33 0.72 0.03 3.87 0.00 -0.10 -2.50 119.26 121.61 3i9b h ALA 107 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i9b h ALA 107 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3i9b h ALA 107 CO 0.05 0.09 -0.20 0.00 0.00 0.00 0.00 179.25 179.19 3i9b h ALA 108 N 1.24 -0.71 -1.17 0.00 0.00 -0.64 -2.31 119.26 115.67 3i9b h ALA 108 Ca 0.22 -0.04 0.36 0.00 0.00 0.00 0.00 54.91 55.45 3i9b h ALA 108 Cb -0.01 0.63 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 3i9b h ALA 108 CO -0.08 -0.76 0.75 -0.91 0.00 0.00 0.00 179.25 178.25 3i9b h ASN 109 N -0.27 0.35 0.57 0.00 2.35 -1.19 -1.66 115.58 115.71 3i9b h ASN 109 Ca -0.00 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3i9b h ASN 109 Cb 0.28 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3i9b h ASN 109 CO -0.11 -0.07 -0.51 1.56 -1.65 0.00 0.00 177.43 176.65 3i9b h GLN 110 N 0.23 -1.02 -2.70 0.81 1.08 -0.96 -3.46 115.11 109.10 3i9b h GLN 110 Ca 0.72 0.07 -0.26 0.00 -1.45 0.00 0.00 58.65 57.73 3i9b h GLN 110 Cb 2.06 0.23 0.09 0.00 -0.05 0.00 0.00 27.48 29.81 3i9b h GLN 110 CO -0.38 -0.68 -0.64 0.54 -0.95 0.00 0.00 178.83 176.72 3i9b n ARG 111 N -5.55 0.00 -0.35 1.46 1.74 -0.63 -4.82 116.66 108.52 3i9b n ARG 111 Ca -0.13 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.95 3i9b n ARG 111 Cb 0.47 -0.45 0.12 0.00 -1.02 0.00 0.00 32.46 31.58 3i9b n ARG 111 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i9b n PRO 112 N 0.85 2.08 -2.59 5.56 -0.04 -1.26 -4.87 135.00 134.73 3i9b n PRO 112 Ca 0.02 -1.08 -0.43 0.00 -0.04 0.00 0.00 63.50 61.97 3i9b n PRO 112 Cb 0.23 -1.66 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 3i9b n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3i9b s GLU 113 N -1.47 3.78 0.06 0.54 0.41 -1.26 -4.96 118.70 115.80 3i9b s GLU 113 Ca 0.19 0.69 -0.13 0.00 -0.41 0.00 0.00 54.97 55.31 3i9b s GLU 113 Cb 0.15 -3.88 -0.03 0.00 -1.78 0.00 0.00 34.13 28.59 3i9b s GLU 113 CO 0.05 -1.30 1.22 0.00 -0.49 0.00 0.00 175.26 174.74 3i9b h ARG 114 N 9.10 -0.03 -6.29 1.61 2.47 -2.00 -3.40 114.38 115.85 3i9b h ARG 114 Ca -0.23 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 57.94 3i9b h ARG 114 Cb 1.06 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.35 3i9b h ARG 114 CO 1.11 -0.02 0.09 0.50 0.56 0.00 0.00 179.97 182.21 3i9b s ARG 115 N -4.04 4.43 0.49 0.04 3.52 -1.26 -4.98 118.95 117.15 3i9b s ARG 115 Ca -0.05 0.96 0.22 0.00 -0.13 0.00 0.00 55.73 56.73 3i9b s ARG 115 Cb 0.04 -3.31 1.27 0.00 -1.56 0.00 0.00 34.95 31.39 3i9b s ARG 115 CO 0.26 0.43 1.94 0.00 -0.81 0.00 0.00 175.30 177.11 3i9b h ALA 116 N 5.16 2.40 -0.36 6.12 0.00 -2.00 -2.45 119.26 128.13 3i9b h ALA 116 Ca -0.46 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 3i9b h ALA 116 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3i9b h ALA 116 CO 0.68 -0.60 -0.34 0.00 0.00 0.00 0.00 179.25 178.99 3i9b h ALA 117 N 1.67 0.71 0.00 0.00 0.00 -1.94 -2.77 119.26 116.93 3i9b h ALA 117 Ca 0.34 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3i9b h ALA 117 Cb 1.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3i9b h ALA 117 CO -0.06 0.66 -0.13 -0.39 0.00 0.00 0.00 179.25 179.34 3i9b h VAL 118 N 0.68 0.87 0.26 0.00 -1.51 -1.80 -2.80 116.25 111.96 3i9b h VAL 118 Ca 0.07 -0.48 -0.01 0.00 -1.23 0.00 0.00 66.70 65.04 3i9b h VAL 118 Cb 0.90 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3i9b h VAL 118 CO 0.08 0.13 -0.13 0.03 -1.23 0.00 0.00 177.57 176.45 3i9b h ARG 119 N 0.00 -0.34 -0.88 5.19 3.08 -1.51 -2.61 114.38 117.31 3i9b h ARG 119 Ca -0.00 0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.30 3i9b h ARG 119 Cb 0.27 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.26 3i9b h ARG 119 CO 0.02 -0.05 0.31 0.82 -1.07 0.00 0.00 179.97 180.00 3i9b h ILE 120 N -1.00 0.38 0.00 2.04 1.08 -1.40 -0.21 117.51 118.41 3i9b h ILE 120 Ca -0.04 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3i9b h ILE 120 Cb 0.45 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 3i9b h ILE 120 CO 0.06 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 177.57 3i9b n ALA 121 N -2.60 -0.21 -0.07 1.87 0.00 -1.07 -0.84 120.51 117.60 3i9b n ALA 121 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 3i9b n ALA 121 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.11 3i9b n ALA 121 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i9b n HIS 122 N -1.15 -0.07 -0.32 0.00 8.25 -0.98 -0.26 115.22 120.68 3i9b n HIS 122 Ca 0.00 0.21 0.16 0.00 -0.26 0.00 0.00 57.72 57.83 3i9b n HIS 122 Cb 0.00 -0.50 0.35 0.00 1.12 0.00 0.00 29.99 30.96 3i9b n HIS 122 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3i9b h GLU 123 N 0.00 0.34 0.00 -0.41 4.57 -1.16 1.01 114.58 118.92 3i9b h GLU 123 Ca 0.03 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3i9b h GLU 123 Cb 0.07 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3i9b h GLU 123 CO -0.16 0.22 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.59 3i9b h LEU 124 N 0.35 0.00 0.00 1.64 3.38 0.12 -2.41 115.31 118.38 3i9b h LEU 124 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3i9b h LEU 124 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3i9b h LEU 124 CO -0.58 0.23 -0.03 0.24 0.09 0.00 0.00 178.44 178.40 3i9b h MET 125 N 0.00 0.00 -1.09 1.13 2.86 0.40 -3.01 114.93 115.22 3i9b h MET 125 Ca -0.00 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.98 3i9b h MET 125 Cb 0.65 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.18 3i9b h MET 125 CO 0.03 0.00 0.67 -0.44 1.06 0.00 0.00 176.91 178.23 3i9b h ASP 126 N -0.85 0.43 0.60 1.22 3.45 -0.68 0.17 116.42 120.76 3i9b h ASP 126 Ca 0.00 0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 3i9b h ASP 126 Cb 0.03 0.11 0.01 0.00 -0.56 0.00 0.00 39.33 38.91 3i9b h ASP 126 CO 0.00 -0.10 -0.29 0.00 -1.57 0.00 0.00 179.24 177.28 3i9b h ALA 127 N 1.74 -0.81 0.00 3.45 0.00 -1.55 0.54 119.26 122.63 3i9b h ALA 127 Ca 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3i9b h ALA 127 Cb 1.88 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.99 3i9b h ALA 127 CO -0.49 -0.85 0.14 0.00 0.00 0.00 0.00 179.25 178.04 3i9b h ALA 128 N -0.76 1.11 -0.01 0.00 0.00 -0.88 1.61 119.26 120.33 3i9b h ALA 128 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i9b h ALA 128 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3i9b h ALA 128 CO 0.14 -0.11 -0.24 -1.91 0.00 0.00 0.00 179.25 177.12 3i9b n GLU 129 N -2.42 0.86 -3.29 0.00 4.07 -0.40 -4.70 120.64 114.76 3i9b n GLU 129 Ca -0.02 -0.50 -0.15 0.00 -0.06 0.00 0.00 57.16 56.43 3i9b n GLU 129 Cb 0.18 -1.49 0.08 0.00 -0.06 0.00 0.00 31.44 30.15 3i9b n GLU 129 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i9b n GLY 130 N 1.33 -0.32 0.00 8.31 0.00 0.55 -4.87 105.19 110.20 3i9b n GLY 130 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i9b n GLY 130 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9b n LYS 131 N -3.82 3.99 -1.77 1.61 4.81 0.04 -5.02 118.16 118.00 3i9b n LYS 131 Ca -0.26 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.77 3i9b n LYS 131 Cb 0.65 -0.33 0.00 0.00 0.02 0.00 0.00 35.03 35.37 3i9b n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9b n GLY 132 N 0.00 1.16 0.43 3.14 0.00 -0.39 -4.85 105.19 104.68 3i9b n GLY 132 Ca 0.00 0.30 0.23 0.00 0.00 0.00 0.00 46.02 46.56 3i9b n GLY 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i9b h GLY 133 N 2.90 0.61 1.29 -0.02 0.00 -1.92 0.26 103.07 106.18 3i9b h GLY 133 Ca -0.51 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 46.76 3i9b h GLY 133 CO 0.64 -0.02 0.34 0.00 0.00 0.00 0.00 176.54 177.49 3i9b h ALA 134 N 1.59 1.89 -0.00 3.60 0.00 -1.90 -1.08 119.26 123.36 3i9b h ALA 134 Ca 0.48 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.20 3i9b h ALA 134 Cb 1.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3i9b h ALA 134 CO -0.13 0.03 -0.80 0.28 0.00 0.00 0.00 179.25 178.62 3i9b h VAL 135 N 0.46 1.54 -0.66 0.00 2.07 -0.78 -2.83 116.25 116.04 3i9b h VAL 135 Ca 0.22 -2.64 0.15 0.00 0.82 0.00 0.00 66.70 65.25 3i9b h VAL 135 Cb 0.29 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 3i9b h VAL 135 CO -0.06 0.76 0.45 0.50 0.02 0.00 0.00 177.57 179.24 3i9b h LYS 136 N 0.03 0.25 -0.32 1.57 3.11 -1.07 1.19 116.57 121.32 3i9b h LYS 136 Ca -0.02 -0.02 -0.17 0.00 -2.81 0.00 0.00 60.65 57.64 3i9b h LYS 136 Cb 1.40 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.58 3i9b h LYS 136 CO 0.11 0.17 -0.48 0.87 -2.81 0.00 0.00 179.45 177.31 3i9b h LYS 137 N 0.26 0.87 0.19 1.90 1.57 -1.42 0.52 116.57 120.47 3i9b h LYS 137 Ca 0.32 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3i9b h LYS 137 Cb 0.89 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 3i9b h LYS 137 CO -0.07 1.15 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.55 3i9b h LYS 138 N 0.69 -0.41 0.77 3.15 3.64 0.13 -0.98 116.57 123.57 3i9b h LYS 138 Ca 0.03 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3i9b h LYS 138 Cb 1.07 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3i9b h LYS 138 CO 0.11 -0.27 -0.37 0.93 -2.27 0.00 0.00 179.45 177.58 3i9b h GLU 139 N -0.42 -1.00 -1.13 1.90 5.08 -0.54 -1.86 114.58 116.61 3i9b h GLU 139 Ca 0.00 0.07 0.42 0.00 -1.00 0.00 0.00 59.36 58.85 3i9b h GLU 139 Cb 0.40 0.23 -0.15 0.00 0.50 0.00 0.00 28.75 29.73 3i9b h GLU 139 CO -0.05 -0.65 0.68 -3.47 -1.00 0.00 0.00 179.01 174.52 3i9b n ASP 140 N -5.48 0.26 0.11 1.42 2.03 0.18 0.95 116.55 116.02 3i9b n ASP 140 Ca -0.14 1.41 -0.08 0.00 0.52 0.00 0.00 54.79 56.50 3i9b n ASP 140 Cb 0.42 -0.69 -0.05 0.00 -0.72 0.00 0.00 41.12 40.08 3i9b n ASP 140 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3i9b h VAL 141 N 0.00 0.29 -0.23 5.18 2.07 -0.99 -3.14 116.25 119.44 3i9b h VAL 141 Ca 0.81 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 67.56 3i9b h VAL 141 Cb 2.40 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3i9b h VAL 141 CO -0.57 0.08 0.19 -0.33 0.02 0.00 0.00 177.57 176.96 3i9b h GLU 142 N -1.04 0.00 0.72 1.57 5.08 0.82 0.06 114.58 121.79 3i9b h GLU 142 Ca -0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3i9b h GLU 142 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3i9b h GLU 142 CO 0.06 0.00 -0.39 0.00 -1.00 0.00 0.00 179.01 177.68 3i9b h ARG 143 N 0.00 -0.99 -0.21 2.33 3.08 0.53 -2.04 114.38 117.08 3i9b h ARG 143 Ca 0.11 0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.24 3i9b h ARG 143 Cb 0.48 0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 3i9b h ARG 143 CO -0.00 -0.66 -0.13 -1.33 -1.07 0.00 0.00 179.97 176.78 3i9b n MET 144 N -5.55 -0.09 -0.33 0.04 2.81 -0.03 0.73 117.12 114.71 3i9b n MET 144 Ca -0.14 1.05 0.11 0.00 -1.81 0.00 0.00 57.70 56.91 3i9b n MET 144 Cb 0.43 -1.56 0.22 0.00 -0.71 0.00 0.00 33.22 31.60 3i9b n MET 144 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i9b n ALA 145 N -3.02 0.39 0.08 3.04 0.00 -0.99 -1.53 120.51 118.48 3i9b n ALA 145 Ca 0.00 1.03 -0.13 0.00 0.00 0.00 0.00 53.44 54.34 3i9b n ALA 145 Cb 0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 3i9b n ALA 145 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i9b h GLU 146 N 0.00 -0.57 -2.15 0.00 4.57 0.11 -2.57 114.58 113.97 3i9b h GLU 146 Ca 0.53 0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.63 3i9b h GLU 146 Cb 1.00 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.67 3i9b h GLU 146 CO -0.92 -0.38 -0.18 0.00 -1.18 0.00 0.00 179.01 176.35 3i9b n ALA 147 N -2.83 5.00 -1.33 2.92 0.00 -0.58 -2.20 120.51 121.48 3i9b n ALA 147 Ca -0.07 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.18 3i9b n ALA 147 Cb 0.32 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3i9b n ALA 147 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i9b n ASN 148 N 2.40 0.00 0.00 0.00 3.02 -0.97 -4.84 115.26 114.87 3i9b n ASN 148 Ca 0.28 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 3i9b n ASN 148 Cb 0.68 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 3i9b n ASN 148 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i9b n ARG 149 N 0.00 0.00 0.00 3.52 1.74 -0.94 -3.24 116.66 117.75 3i9b n ARG 149 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i9b n ARG 149 Cb 0.16 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3i9b n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9b n ALA 150 N -0.78 0.00 -1.04 7.54 0.00 -1.26 -3.64 120.51 121.33 3i9b n ALA 150 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3i9b n ALA 150 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 3i9b n ALA 150 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3i9b n TYR 151 N 0.00 0.20 0.10 0.00 0.18 -1.20 -4.07 117.16 112.37 3i9b n TYR 151 Ca 0.00 -1.60 0.10 0.00 1.88 0.00 0.00 57.90 58.29 3i9b n TYR 151 Cb 0.00 -1.63 -0.00 0.00 -0.38 0.00 0.00 39.34 37.33 3i9b n TYR 151 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3i9b h ALA 152 N 3.09 0.53 0.00 -3.48 0.00 -1.64 -3.33 119.26 114.43 3i9b h ALA 152 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i9b h ALA 152 Cb 1.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3i9b h ALA 152 CO 0.34 0.08 0.00 0.72 0.00 0.00 0.00 179.25 180.39 3i9b n HIS 153 N -2.72 0.00 0.54 0.00 8.25 -1.26 -0.60 115.22 119.44 3i9b n HIS 153 Ca -0.01 -0.22 0.09 0.00 -0.26 0.00 0.00 57.72 57.32 3i9b n HIS 153 Cb 0.57 -0.16 -0.12 0.00 1.12 0.00 0.00 29.99 31.41 3i9b n HIS 153 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3i9b n TYR 154 N 0.38 0.00 0.00 4.41 0.53 -1.25 -4.98 117.16 116.25 3i9b n TYR 154 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3i9b n TYR 154 Cb 0.31 -0.16 0.00 0.00 -1.03 0.00 0.00 39.34 38.46 3i9b n TYR 154 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 3i9b n ARG 155 N -1.70 0.00 0.00 -0.72 3.00 0.23 -5.14 116.66 112.33 3i9b n ARG 155 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3i9b n ARG 155 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.82 3i9b n ARG 155 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96