#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i6z s VAL 2 N 0.00 5.05 0.43 3.15 1.01 -1.26 -1.05 120.40 127.72 2i6z s VAL 2 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 2i6z s VAL 2 Cb 0.00 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 2i6z s VAL 2 CO 0.00 -0.63 1.11 -0.36 0.00 0.00 0.00 175.10 175.23 2i6z s PHE 3 N 2.18 3.07 0.71 5.22 0.40 0.04 -4.99 117.98 124.61 2i6z s PHE 3 Ca 0.11 1.59 -0.11 0.00 -0.60 0.00 0.00 56.93 57.92 2i6z s PHE 3 Cb -0.20 -3.26 0.01 0.00 0.51 0.00 0.00 43.02 40.08 2i6z s PHE 3 CO 0.11 -1.08 1.06 0.20 0.70 0.00 0.00 175.22 176.21 2i6z s GLY 4 N -1.43 1.67 0.07 4.36 0.00 -1.26 -4.83 107.32 105.90 2i6z s GLY 4 Ca 0.60 0.11 -0.32 0.00 0.00 0.00 0.00 44.72 45.12 2i6z s GLY 4 CO 0.32 0.43 1.64 -0.09 0.00 0.00 0.00 173.10 175.39 2i6z h ARG 5 N -0.78 -0.78 -0.06 2.90 2.43 -1.96 0.38 114.38 116.51 2i6z h ARG 5 Ca -0.44 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.70 2i6z h ARG 5 Cb 1.21 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 2i6z h ARG 5 CO 0.56 -0.52 -0.37 0.00 -1.51 0.00 0.00 179.97 178.13 2i6z h GLU 7 N 0.11 0.67 -0.14 0.00 4.81 -1.89 -0.83 114.58 117.31 2i6z h GLU 7 Ca 0.01 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 2i6z h GLU 7 Cb 0.70 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2i6z h GLU 7 CO 0.05 0.52 -0.49 1.25 -0.73 0.00 0.00 179.01 179.60 2i6z h LEU 8 N 0.64 0.41 -0.58 1.64 5.85 -0.78 -2.52 115.31 119.97 2i6z h LEU 8 Ca 0.17 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2i6z h LEU 8 Cb 0.04 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2i6z h LEU 8 CO -0.03 0.84 0.38 0.00 -0.34 0.00 0.00 178.44 179.29 2i6z h ALA 9 N 1.18 0.75 -0.41 1.25 0.00 -1.05 -0.78 119.26 120.19 2i6z h ALA 9 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2i6z h ALA 9 Cb 0.98 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2i6z h ALA 9 CO 0.08 0.15 0.10 0.00 0.00 0.00 0.00 179.25 179.59 2i6z h ALA 10 N 1.23 0.54 -0.44 0.00 0.00 -1.03 -1.77 119.26 117.78 2i6z h ALA 10 Ca 0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2i6z h ALA 10 Cb -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2i6z h ALA 10 CO -0.06 0.22 -0.04 0.00 0.00 0.00 0.00 179.25 179.37 2i6z h ALA 11 N 0.95 0.60 -0.68 0.00 0.00 -1.35 -1.09 119.26 117.70 2i6z h ALA 11 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2i6z h ALA 11 Cb 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2i6z h ALA 11 CO 0.00 0.43 0.38 0.52 0.00 0.00 0.00 179.25 180.58 2i6z h MET 12 N 0.65 0.95 -0.25 0.00 2.86 -1.08 -1.31 114.93 116.74 2i6z h MET 12 Ca 0.12 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2i6z h MET 12 Cb 0.55 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2i6z h MET 12 CO 0.03 0.71 0.06 -0.22 1.06 0.00 0.00 176.91 178.55 2i6z h LYS 13 N 0.94 0.40 -0.55 1.72 3.64 -1.24 -0.77 116.57 120.71 2i6z h LYS 13 Ca 0.24 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2i6z h LYS 13 Cb 0.03 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 2i6z h LYS 13 CO -0.04 0.50 0.36 -0.09 -2.27 0.00 0.00 179.45 177.91 2i6z h ARG 14 N 0.23 0.72 -0.00 1.90 2.43 -1.02 -1.11 114.38 117.52 2i6z h ARG 14 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2i6z h ARG 14 Cb 0.28 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2i6z h ARG 14 CO 0.00 0.47 -0.04 0.72 -1.51 0.00 0.00 179.97 179.61 2i6z n HIS 15 N -4.45 0.00 -0.62 2.20 8.25 -0.51 -4.94 115.22 115.15 2i6z n HIS 15 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2i6z n HIS 15 Cb 0.05 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.00 2i6z n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2i6z n GLY 16 N 1.21 0.96 0.13 -1.41 0.00 -0.42 -4.99 105.19 100.67 2i6z n GLY 16 Ca 0.17 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.78 2i6z n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2i6z h LEU 17 N 0.00 0.00 -9.32 0.99 3.38 -1.35 -3.40 115.31 105.62 2i6z h LEU 17 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2i6z h LEU 17 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2i6z h LEU 17 CO 0.00 0.41 1.23 -0.62 0.09 0.00 0.00 178.44 179.55 2i6z s ASP 18 N -6.14 6.42 -0.72 -0.43 2.15 -1.26 -1.06 116.67 115.63 2i6z s ASP 18 Ca 0.02 2.56 0.00 0.00 0.43 0.00 0.00 52.55 55.56 2i6z s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2i6z s ASP 18 CO 0.76 -1.10 0.00 0.59 -0.17 0.00 0.00 175.17 175.25 2i6z n ASN 19 N 7.75 -4.82 -4.71 -0.34 3.02 -0.18 -4.89 115.26 111.10 2i6z n ASN 19 Ca 0.20 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.50 2i6z n ASN 19 Cb 0.42 -2.91 -0.03 0.00 -0.61 0.00 0.00 39.78 36.64 2i6z n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2i6z s TYR 20 N -1.92 2.96 -0.82 3.10 5.04 -0.22 -1.60 117.35 123.89 2i6z s TYR 20 Ca 0.00 0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 55.34 2i6z s TYR 20 Cb 0.00 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.51 2i6z s TYR 20 CO 0.00 -2.98 0.01 0.54 -1.34 0.00 0.00 175.55 171.79 2i6z n ARG 21 N 4.52 -2.43 -0.81 4.97 5.12 -1.26 -1.45 116.66 125.32 2i6z n ARG 21 Ca 0.13 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 2i6z n ARG 21 Cb 0.41 -5.04 0.00 0.00 -1.16 0.00 0.00 32.46 26.67 2i6z n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i6z n GLY 22 N -0.75 0.83 3.57 -0.13 0.00 -0.63 -5.03 105.19 103.06 2i6z n GLY 22 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2i6z n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i6z s TYR 23 N -3.22 3.18 0.83 1.61 2.02 -0.53 -4.87 117.35 116.37 2i6z s TYR 23 Ca 0.00 0.28 -0.11 0.00 -0.37 0.00 0.00 57.07 56.86 2i6z s TYR 23 Cb 0.00 -2.98 0.10 0.00 -0.40 0.00 0.00 41.96 38.68 2i6z s TYR 23 CO 0.00 -0.55 1.14 -1.54 -1.57 0.00 0.00 175.55 173.03 2i6z s SER 24 N 1.75 3.66 0.31 2.29 1.04 -1.26 -1.02 113.70 120.47 2i6z s SER 24 Ca 0.21 2.11 0.06 0.00 0.48 0.00 0.00 55.95 58.81 2i6z s SER 24 Cb -0.15 -2.56 0.76 0.00 0.10 0.00 0.00 66.02 64.17 2i6z s SER 24 CO 0.13 -2.61 1.77 0.25 0.98 0.00 0.00 173.24 173.77 2i6z h LEU 25 N -1.32 0.77 -1.61 2.42 5.85 -1.90 -1.10 115.31 118.41 2i6z h LEU 25 Ca -0.44 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 2i6z h LEU 25 Cb 1.26 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2i6z h LEU 25 CO 0.46 0.26 0.05 1.23 -0.34 0.00 0.00 178.44 180.10 2i6z h GLY 26 N 0.74 0.31 1.01 3.75 0.00 -1.91 -1.38 103.07 105.60 2i6z h GLY 26 Ca 0.58 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 2i6z h GLY 26 CO -0.39 0.14 0.23 3.43 0.00 0.00 0.00 176.54 179.95 2i6z h ASN 27 N 0.29 0.90 -0.13 0.19 2.35 -1.42 -0.71 115.58 117.05 2i6z h ASN 27 Ca 0.07 -0.19 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 2i6z h ASN 27 Cb 0.13 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2i6z h ASN 27 CO -0.00 0.85 -0.30 -0.50 -1.65 0.00 0.00 177.43 175.82 2i6z h TRP 28 N 0.90 0.55 -0.50 1.19 4.06 -1.34 -1.55 115.95 119.26 2i6z h TRP 28 Ca 0.21 -0.21 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2i6z h TRP 28 Cb 0.24 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.28 2i6z h TRP 28 CO 0.02 0.92 0.32 0.28 -3.56 0.00 0.00 178.44 176.42 2i6z h VAL 29 N 0.02 1.11 -0.61 1.49 2.07 -1.32 -1.56 116.25 117.45 2i6z h VAL 29 Ca -0.00 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.32 2i6z h VAL 29 Cb 0.91 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2i6z h VAL 29 CO 0.07 0.12 0.37 0.00 0.02 0.00 0.00 177.57 178.15 2i6z h ALA 31 N 1.27 0.13 -0.78 0.00 0.00 -1.00 -2.45 119.26 116.44 2i6z h ALA 31 Ca 0.25 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2i6z h ALA 31 Cb 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2i6z h ALA 31 CO -0.11 -0.31 0.47 0.00 0.00 0.00 0.00 179.25 179.30 2i6z h ALA 32 N 0.93 1.06 -0.10 0.00 0.00 -1.09 0.20 119.26 120.26 2i6z h ALA 32 Ca 0.04 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2i6z h ALA 32 Cb 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2i6z h ALA 32 CO -0.00 0.20 -0.21 -0.22 0.00 0.00 0.00 179.25 179.02 2i6z h LYS 33 N 0.87 -0.27 0.00 0.00 1.63 -0.62 0.35 116.57 118.53 2i6z h LYS 33 Ca 0.34 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 2i6z h LYS 33 Cb 0.15 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2i6z h LYS 33 CO -0.17 -0.18 -0.60 0.74 -3.45 0.00 0.00 179.45 175.79 2i6z h PHE 34 N -0.28 0.00 0.15 1.91 0.04 -1.14 0.27 116.94 117.90 2i6z h PHE 34 Ca 0.09 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.66 2i6z h PHE 34 Cb 0.41 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.58 2i6z h PHE 34 CO -0.30 0.00 -0.87 0.93 -0.60 0.00 0.00 178.31 177.47 2i6z h GLU 35 N 0.00 0.32 0.00 1.51 4.39 -0.46 -3.43 114.58 116.90 2i6z h GLU 35 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 2i6z h GLU 35 Cb 0.87 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2i6z h GLU 35 CO 0.00 1.26 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 2i6z n SER 36 N -4.09 0.17 -3.13 1.42 3.41 0.07 -4.83 113.62 106.64 2i6z n SER 36 Ca -0.14 -0.53 -0.22 0.00 -0.26 0.00 0.00 58.87 57.72 2i6z n SER 36 Cb 0.84 0.24 0.01 0.00 -0.26 0.00 0.00 64.21 65.05 2i6z n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2i6z n ASN 37 N -0.24 -4.58 -0.95 4.04 5.15 0.95 -1.89 115.26 117.75 2i6z n ASN 37 Ca 0.00 -0.28 -0.12 0.00 -0.60 0.00 0.00 54.58 53.58 2i6z n ASN 37 Cb 0.06 -3.76 -0.05 0.00 -0.53 0.00 0.00 39.78 35.50 2i6z n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2i6z n PHE 38 N -4.07 0.00 -3.37 1.20 3.72 -1.21 -4.84 117.46 108.89 2i6z n PHE 38 Ca -0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.91 2i6z n PHE 38 Cb 0.58 -2.31 -0.09 0.00 -0.94 0.00 0.00 39.48 36.72 2i6z n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2i6z s ASN 39 N -2.82 6.17 0.56 4.37 3.84 -0.79 -0.78 114.94 125.50 2i6z s ASN 39 Ca 0.00 -0.61 0.25 0.00 0.21 0.00 0.00 52.86 52.70 2i6z s ASN 39 Cb 0.00 -2.21 1.60 0.00 -0.55 0.00 0.00 41.25 40.10 2i6z s ASN 39 CO 0.00 -0.50 2.20 0.71 -2.79 0.00 0.00 177.10 176.72 2i6z h THR 40 N 5.67 0.70 -0.15 -5.21 1.35 -1.40 -2.68 112.91 111.18 2i6z h THR 40 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2i6z h THR 40 Cb 1.12 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2i6z h THR 40 CO 0.76 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 2i6z n GLN 41 N -4.11 1.74 -1.79 4.72 6.02 -1.26 -3.92 117.38 118.79 2i6z n GLN 41 Ca -0.02 -1.11 -0.42 0.00 -0.01 0.00 0.00 57.00 55.44 2i6z n GLN 41 Cb 0.12 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 2i6z n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2i6z s ALA 42 N -1.81 3.83 0.00 -1.58 0.00 -1.01 -4.82 121.76 116.38 2i6z s ALA 42 Ca 0.33 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.85 2i6z s ALA 42 Cb 0.18 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 2i6z s ALA 42 CO 0.27 -0.92 -0.04 0.95 0.00 0.00 0.00 175.76 176.01 2i6z s THR 43 N 0.62 0.33 -0.14 0.00 -4.23 -1.26 -0.50 115.64 110.46 2i6z s THR 43 Ca 0.69 -0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.81 2i6z s THR 43 Cb -0.48 -0.31 0.06 0.00 1.34 0.00 0.00 72.50 73.11 2i6z s THR 43 CO 0.39 -0.01 0.29 0.20 -0.54 0.00 0.00 174.62 174.95 2i6z s ASN 44 N -0.37 0.08 0.29 3.99 -0.87 -0.74 -4.98 114.94 112.35 2i6z s ASN 44 Ca -0.01 0.65 -0.29 0.00 -1.57 0.00 0.00 52.86 51.64 2i6z s ASN 44 Cb -0.03 0.73 -0.10 0.00 -0.02 0.00 0.00 41.25 41.83 2i6z s ASN 44 CO -0.00 -0.22 1.12 -0.60 -2.57 0.00 0.00 177.10 174.83 2i6z s ARG 45 N 2.13 4.58 0.16 -0.60 3.52 -1.26 -0.41 118.95 127.06 2i6z s ARG 45 Ca -0.02 1.83 0.01 0.00 -0.13 0.00 0.00 55.73 57.42 2i6z s ARG 45 Cb -0.11 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 2i6z s ARG 45 CO -0.09 0.14 0.31 -0.80 -0.81 0.00 0.00 175.30 174.06 2i6z s ASN 46 N -0.88 6.35 0.41 -2.12 0.02 0.11 -4.91 114.94 113.92 2i6z s ASN 46 Ca 0.46 0.24 0.14 0.00 -1.02 0.00 0.00 52.86 52.68 2i6z s ASN 46 Cb -0.32 -1.94 1.00 0.00 0.02 0.00 0.00 41.25 40.01 2i6z s ASN 46 CO 0.41 0.03 1.92 0.71 0.02 0.00 0.00 177.10 180.19 2i6z h THR 47 N 1.62 0.82 0.00 1.60 1.35 -1.97 -1.49 112.91 114.84 2i6z h THR 47 Ca -0.48 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2i6z h THR 47 Cb 1.19 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2i6z h THR 47 CO 0.69 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 175.14 2i6z n ASP 48 N -4.49 0.00 0.00 5.36 5.75 -1.26 -4.86 116.55 117.06 2i6z n ASP 48 Ca 0.14 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 2i6z n ASP 48 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 2i6z n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i6z n GLY 49 N 0.67 1.25 3.87 6.12 0.00 -0.56 -4.98 105.19 111.56 2i6z n GLY 49 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2i6z n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i6z s SER 50 N -1.86 3.97 0.01 1.61 1.04 -1.26 -4.74 113.70 112.49 2i6z s SER 50 Ca 0.00 0.75 0.02 0.00 0.48 0.00 0.00 55.95 57.20 2i6z s SER 50 Cb 0.00 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 2i6z s SER 50 CO 0.00 -2.24 -0.06 -0.89 0.98 0.00 0.00 173.24 171.03 2i6z s THR 51 N -3.54 0.47 0.01 2.02 2.01 -1.26 0.07 115.64 115.42 2i6z s THR 51 Ca 0.64 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 2i6z s THR 51 Cb -0.11 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 2i6z s THR 51 CO 0.51 -0.04 0.28 -1.81 -0.69 0.00 0.00 174.62 172.86 2i6z s ASP 52 N -0.61 6.51 -0.04 3.53 1.01 0.45 -1.44 116.67 126.09 2i6z s ASP 52 Ca -0.02 0.58 0.02 0.00 0.71 0.00 0.00 52.55 53.84 2i6z s ASP 52 Cb -0.05 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.80 2i6z s ASP 52 CO 0.00 0.25 -0.07 -0.31 0.21 0.00 0.00 175.17 175.25 2i6z s TYR 53 N -1.30 0.85 0.00 4.23 1.51 -0.02 -1.79 117.35 120.84 2i6z s TYR 53 Ca 0.28 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 2i6z s TYR 53 Cb -0.13 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 41.04 2i6z s TYR 53 CO 0.16 -0.15 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 2i6z n GLY 54 N 3.69 -1.89 0.40 0.71 0.00 0.34 -1.19 105.19 107.25 2i6z n GLY 54 Ca -0.22 -1.65 0.21 0.00 0.00 0.00 0.00 46.02 44.36 2i6z n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2i6z h ILE 55 N 0.00 0.69 0.00 -0.61 6.09 -1.69 -1.23 117.51 120.76 2i6z h ILE 55 Ca 0.00 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 2i6z h ILE 55 Cb 0.00 0.57 0.00 0.00 0.47 0.00 0.00 36.82 37.86 2i6z h ILE 55 CO 0.00 0.02 -0.02 0.18 -3.07 0.00 0.00 178.15 175.26 2i6z n LEU 56 N -4.38 2.12 -3.83 2.19 4.77 -1.26 -4.12 117.00 112.49 2i6z n LEU 56 Ca 0.14 -2.61 -0.34 0.00 -0.03 0.00 0.00 56.01 53.17 2i6z n LEU 56 Cb 0.69 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2i6z n LEU 56 CO 0.36 0.61 -0.13 0.00 -1.33 0.00 0.00 177.39 176.90 2i6z n GLN 57 N -1.05 -1.37 -2.79 3.23 1.13 -0.47 -4.90 117.38 111.16 2i6z n GLN 57 Ca 0.10 0.35 -0.41 0.00 -1.94 0.00 0.00 57.00 55.11 2i6z n GLN 57 Cb 0.51 -3.83 -0.05 0.00 0.11 0.00 0.00 30.24 26.98 2i6z n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2i6z s ILE 58 N -3.59 4.52 0.18 5.09 1.01 -0.34 -4.34 121.20 123.75 2i6z s ILE 58 Ca 0.39 1.96 -0.12 0.00 0.00 0.00 0.00 60.65 62.88 2i6z s ILE 58 Cb -0.16 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 37.97 2i6z s ILE 58 CO 0.89 0.34 0.55 0.21 0.00 0.00 0.00 174.94 176.93 2i6z s ASN 59 N -0.12 6.73 0.00 3.58 3.84 -1.26 -0.84 114.94 126.87 2i6z s ASN 59 Ca 0.44 1.00 0.27 0.00 0.21 0.00 0.00 52.86 54.78 2i6z s ASN 59 Cb -0.23 -2.26 0.92 0.00 -0.55 0.00 0.00 41.25 39.13 2i6z s ASN 59 CO 0.28 0.02 1.70 -1.54 -2.79 0.00 0.00 177.10 174.77 2i6z n SER 60 N 0.37 0.29 -0.04 -4.21 3.41 -0.52 -2.44 113.62 110.49 2i6z n SER 60 Ca -0.03 0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.45 2i6z n SER 60 Cb 0.52 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 2i6z n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2i6z h ARG 61 N 0.09 0.29 0.00 4.33 9.65 -1.82 -3.40 114.38 123.52 2i6z h ARG 61 Ca 0.00 -0.21 -0.36 0.00 -1.10 0.00 0.00 59.98 58.31 2i6z h ARG 61 Cb 0.48 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.03 2i6z h ARG 61 CO 0.00 0.83 -2.34 0.91 2.80 0.00 0.00 179.97 182.17 2i6z n TRP 62 N -4.51 0.00 -0.10 2.20 7.02 -1.25 0.68 117.44 121.47 2i6z n TRP 62 Ca -0.08 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.24 2i6z n TRP 62 Cb 0.44 -0.93 -0.09 0.00 -2.42 0.00 0.00 31.31 28.31 2i6z n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2i6z n TRP 63 N -3.03 0.00 -4.22 -5.99 7.02 -1.02 -1.27 117.44 108.93 2i6z n TRP 63 Ca -0.39 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 55.95 2i6z n TRP 63 Cb 1.01 -0.78 -0.10 0.00 -2.42 0.00 0.00 31.31 29.01 2i6z n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2i6z s ASN 65 N -2.90 6.30 0.00 0.00 2.47 -0.66 -4.41 114.94 115.74 2i6z s ASN 65 Ca 0.13 0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.74 2i6z s ASN 65 Cb 0.01 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 2i6z s ASN 65 CO 0.00 0.05 0.84 -0.90 -3.72 0.00 0.00 177.10 173.38 2i6z n ASP 66 N 4.05 1.55 0.00 -4.21 5.68 -1.26 -0.57 116.55 121.79 2i6z n ASP 66 Ca -0.13 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 2i6z n ASP 66 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2i6z n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i6z n GLY 67 N -0.36 1.38 0.06 6.12 0.00 -1.26 -4.79 105.19 106.35 2i6z n GLY 67 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2i6z n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2i6z n ARG 68 N -2.00 1.43 -3.75 1.61 1.85 -1.26 -4.98 116.66 109.56 2i6z n ARG 68 Ca 0.00 -1.24 -0.37 0.00 -1.00 0.00 0.00 57.85 55.24 2i6z n ARG 68 Cb 0.00 -0.84 -0.11 0.00 -1.05 0.00 0.00 32.46 30.46 2i6z n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2i6z s THR 69 N -0.80 3.40 0.44 8.89 2.01 -1.26 -4.91 115.64 123.41 2i6z s THR 69 Ca 0.04 -2.01 -0.25 0.00 0.31 0.00 0.00 61.69 59.78 2i6z s THR 69 Cb 0.04 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 2i6z s THR 69 CO 0.00 -0.69 1.40 -2.84 -0.69 0.00 0.00 174.62 171.80 2i6z s PRO 70 N 1.17 3.76 -1.38 4.92 0.02 -1.26 -2.19 135.00 140.04 2i6z s PRO 70 Ca 0.08 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2i6z s PRO 70 Cb -0.23 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.61 2i6z s PRO 70 CO -0.04 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 2i6z n GLY 71 N 0.60 0.86 3.81 0.52 0.00 -1.26 -4.97 105.19 104.75 2i6z n GLY 71 Ca 0.05 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 2i6z n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i6z s SER 72 N -2.68 7.01 0.38 1.61 1.04 -0.93 -4.99 113.70 115.14 2i6z s SER 72 Ca 0.00 1.71 0.08 0.00 0.48 0.00 0.00 55.95 58.22 2i6z s SER 72 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 2i6z s SER 72 CO 0.00 -0.31 0.37 -0.13 0.98 0.00 0.00 173.24 174.15 2i6z s ARG 73 N -2.98 2.65 -0.40 4.02 1.81 0.21 -5.00 118.95 119.27 2i6z s ARG 73 Ca 0.60 -1.40 0.09 0.00 -1.72 0.00 0.00 55.73 53.29 2i6z s ARG 73 Cb -0.11 -2.47 0.27 0.00 -0.45 0.00 0.00 34.95 32.19 2i6z s ARG 73 CO 0.15 -0.09 0.57 -1.71 -0.68 0.00 0.00 175.30 173.54 2i6z n ASN 74 N -1.52 0.45 0.26 0.23 5.15 -1.16 -3.63 115.26 115.05 2i6z n ASN 74 Ca 0.02 -2.78 0.16 0.00 -0.60 0.00 0.00 54.58 51.38 2i6z n ASN 74 Cb 0.61 -0.64 0.57 0.00 -0.53 0.00 0.00 39.78 39.79 2i6z n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2i6z h LEU 75 N 3.84 0.00 -0.59 1.20 3.38 -1.01 -1.08 115.31 121.05 2i6z h LEU 75 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2i6z h LEU 75 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2i6z h LEU 75 CO 0.48 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.87 2i6z n ASN 77 N -0.45 -2.69 -3.85 0.00 5.15 -0.41 -4.97 115.26 108.05 2i6z n ASN 77 Ca 0.15 -1.04 -0.12 0.00 -0.60 0.00 0.00 54.58 52.97 2i6z n ASN 77 Cb 0.33 -3.04 -0.10 0.00 -0.53 0.00 0.00 39.78 36.44 2i6z n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2i6z s ILE 78 N -3.72 0.07 0.41 -1.44 -5.25 -1.26 -5.08 121.20 104.92 2i6z s ILE 78 Ca 0.24 -0.54 -0.26 0.00 -0.99 0.00 0.00 60.65 59.10 2i6z s ILE 78 Cb -0.10 -0.42 -0.09 0.00 2.95 0.00 0.00 42.46 44.81 2i6z s ILE 78 CO 0.89 -0.30 1.32 -2.16 -1.79 0.00 0.00 174.94 172.90 2i6z s PRO 79 N -1.10 3.92 0.42 0.37 0.04 -1.26 -1.65 135.00 135.74 2i6z s PRO 79 Ca -0.12 2.19 0.09 0.00 0.04 0.00 0.00 61.00 63.20 2i6z s PRO 79 Cb -0.06 -2.74 0.90 0.00 0.04 0.00 0.00 34.50 32.65 2i6z s PRO 79 CO 0.02 -0.54 2.02 0.00 0.04 0.00 0.00 177.00 178.54 2i6z h SER 81 N 0.35 0.00 0.46 0.00 4.64 -1.91 -0.17 113.55 116.91 2i6z h SER 81 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2i6z h SER 81 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2i6z h SER 81 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 2i6z h ALA 82 N 2.00 1.00 -0.02 5.18 0.00 -1.73 -1.91 119.26 123.79 2i6z h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i6z h ALA 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2i6z h ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2i6z n LEU 83 N -2.89 0.31 -0.60 0.00 4.77 -0.08 -3.49 117.00 115.03 2i6z n LEU 83 Ca -0.01 -0.12 0.07 0.00 -0.03 0.00 0.00 56.01 55.93 2i6z n LEU 83 Cb 0.17 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2i6z n LEU 83 CO 0.21 0.06 0.49 0.18 -1.33 0.00 0.00 177.39 177.00 2i6z n LEU 84 N -0.68 2.26 -4.74 2.23 4.77 -0.72 -4.02 117.00 116.10 2i6z n LEU 84 Ca 0.19 -1.02 -0.33 0.00 -0.03 0.00 0.00 56.01 54.81 2i6z n LEU 84 Cb 0.14 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2i6z n LEU 84 CO 0.15 0.41 0.77 -0.55 -1.33 0.00 0.00 177.39 176.84 2i6z s SER 85 N -1.23 4.47 0.48 -1.43 0.15 -1.23 -4.12 113.70 110.79 2i6z s SER 85 Ca 0.18 2.20 0.19 0.00 0.70 0.00 0.00 55.95 59.21 2i6z s SER 85 Cb 0.12 -2.57 1.17 0.00 -1.71 0.00 0.00 66.02 63.03 2i6z s SER 85 CO 0.19 -2.07 2.03 0.28 1.20 0.00 0.00 173.24 174.87 2i6z h SER 86 N -0.29 0.00 -3.51 5.45 0.02 -1.94 -3.40 113.55 109.87 2i6z h SER 86 Ca -0.47 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.86 2i6z h SER 86 Cb 1.27 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.69 2i6z h SER 86 CO 0.51 0.15 0.18 -0.62 -1.14 0.00 0.00 176.83 175.92 2i6z s ASP 87 N -6.73 6.52 0.00 3.07 2.15 -1.26 -4.97 116.67 115.45 2i6z s ASP 87 Ca -0.04 0.46 0.18 0.00 0.43 0.00 0.00 52.55 53.59 2i6z s ASP 87 Cb 0.15 -2.34 1.00 0.00 -0.30 0.00 0.00 42.92 41.43 2i6z s ASP 87 CO 0.66 -0.50 1.66 2.30 -0.17 0.00 0.00 175.17 179.12 2i6z n ILE 88 N 5.41 0.04 -0.15 4.11 -5.35 -1.26 -4.34 119.36 117.82 2i6z n ILE 88 Ca -0.00 -0.07 -0.04 0.00 -0.27 0.00 0.00 62.75 62.37 2i6z n ILE 88 Cb 0.49 -0.15 0.03 0.00 -1.74 0.00 0.00 39.64 38.26 2i6z n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2i6z h THR 89 N 0.45 0.41 -0.79 7.28 2.02 -1.94 0.31 112.91 120.65 2i6z h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2i6z h THR 89 Cb 0.10 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2i6z h THR 89 CO 0.00 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.21 2i6z h ALA 90 N 1.31 1.02 -0.72 6.16 0.00 -1.85 -0.38 119.26 124.80 2i6z h ALA 90 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2i6z h ALA 90 Cb 0.43 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2i6z h ALA 90 CO -0.53 0.65 0.30 0.77 0.00 0.00 0.00 179.25 180.44 2i6z h SER 91 N 1.14 0.99 -0.21 0.00 0.02 -1.60 -2.37 113.55 111.52 2i6z h SER 91 Ca 0.26 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2i6z h SER 91 Cb 0.21 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2i6z h SER 91 CO -0.02 0.88 -0.14 0.58 -1.14 0.00 0.00 176.83 176.99 2i6z h VAL 92 N 1.03 1.32 -0.57 2.27 2.07 -0.42 0.56 116.25 122.50 2i6z h VAL 92 Ca 0.24 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.59 2i6z h VAL 92 Cb 0.19 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 2i6z h VAL 92 CO -0.02 0.38 0.24 0.78 0.02 0.00 0.00 177.57 178.97 2i6z h ASN 93 N 0.15 0.29 -0.33 0.57 2.35 -1.08 -1.43 115.58 116.11 2i6z h ASN 93 Ca 0.04 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 2i6z h ASN 93 Cb 0.65 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2i6z h ASN 93 CO 0.04 0.19 -0.28 0.00 -1.65 0.00 0.00 177.43 175.72 2i6z h ALA 95 N 0.74 1.59 -0.97 0.00 0.00 -0.47 -1.01 119.26 119.14 2i6z h ALA 95 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2i6z h ALA 95 Cb 0.86 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2i6z h ALA 95 CO 0.07 0.37 0.61 0.87 0.00 0.00 0.00 179.25 181.18 2i6z h LYS 96 N 0.75 1.30 -0.16 0.00 1.57 -1.20 -0.52 116.57 118.31 2i6z h LYS 96 Ca 0.20 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2i6z h LYS 96 Cb -0.08 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 31.95 2i6z h LYS 96 CO -0.04 0.89 -0.04 0.87 -0.57 0.00 0.00 179.45 180.55 2i6z h LYS 97 N 1.33 0.32 -0.10 3.15 1.57 -1.11 -2.90 116.57 118.83 2i6z h LYS 97 Ca 0.35 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2i6z h LYS 97 Cb -0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2i6z h LYS 97 CO -0.07 0.60 -0.00 0.82 -0.57 0.00 0.00 179.45 180.23 2i6z h ILE 98 N 0.02 0.93 0.00 1.86 2.04 -0.97 -2.49 117.51 118.90 2i6z h ILE 98 Ca 0.04 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2i6z h ILE 98 Cb 0.48 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2i6z h ILE 98 CO 0.02 0.01 0.00 1.62 0.00 0.00 0.00 178.15 179.79 2i6z h VAL 99 N 0.03 0.00 -0.20 1.67 3.04 -1.17 -2.10 116.25 117.52 2i6z h VAL 99 Ca 0.05 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2i6z h VAL 99 Cb 0.06 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 2i6z h VAL 99 CO -0.08 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.28 2i6z n SER 100 N -2.96 1.89 0.11 3.17 7.64 -0.95 -3.67 113.62 118.85 2i6z n SER 100 Ca 0.01 -1.76 0.13 0.00 1.01 0.00 0.00 58.87 58.26 2i6z n SER 100 Cb 0.27 -0.13 0.36 0.00 -1.01 0.00 0.00 64.21 63.71 2i6z n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2i6z h ASP 101 N 2.48 0.00 0.00 6.43 3.58 -1.27 -3.47 116.42 124.17 2i6z h ASP 101 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2i6z h ASP 101 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2i6z h ASP 101 CO 0.00 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2i6z n GLY 102 N 1.29 1.33 1.41 -0.78 0.00 -1.26 -4.97 105.19 102.21 2i6z n GLY 102 Ca 0.05 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2i6z n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2i6z n ASN 103 N 0.00 4.32 0.00 1.61 3.02 -1.26 -5.06 115.26 117.89 2i6z n ASN 103 Ca 0.00 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 2i6z n ASN 103 Cb 0.00 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 2i6z n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i6z n GLY 104 N 1.18 2.67 0.00 7.41 0.00 -1.24 -2.33 105.19 112.89 2i6z n GLY 104 Ca 0.24 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2i6z n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2i6z n MET 105 N 13.19 0.21 0.32 1.61 2.81 -1.26 -3.19 117.12 130.81 2i6z n MET 105 Ca 0.00 0.06 0.20 0.00 -1.81 0.00 0.00 57.70 56.15 2i6z n MET 105 Cb 0.00 -1.50 1.07 0.00 -0.71 0.00 0.00 33.22 32.08 2i6z n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2i6z h ASN 106 N 0.00 0.00 -0.53 7.83 2.35 -1.88 -0.62 115.58 122.73 2i6z h ASN 106 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 2i6z h ASN 106 Cb 0.31 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2i6z h ASN 106 CO 0.00 0.00 0.36 0.00 -1.65 0.00 0.00 177.43 176.14 2i6z h ALA 107 N 1.83 2.16 -1.75 -0.83 0.00 -1.71 -3.32 119.26 115.65 2i6z h ALA 107 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 2i6z h ALA 107 Cb 0.17 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.77 2i6z h ALA 107 CO 0.00 -0.29 0.44 -1.58 0.00 0.00 0.00 179.25 177.82 2i6z s TRP 108 N -5.25 2.77 0.33 0.00 0.51 -0.24 -4.92 118.94 112.14 2i6z s TRP 108 Ca -0.07 -0.53 0.01 0.00 -2.12 0.00 0.00 56.10 53.39 2i6z s TRP 108 Cb 0.19 -4.16 0.56 0.00 -0.81 0.00 0.00 33.47 29.25 2i6z s TRP 108 CO 0.74 -1.50 1.99 -0.39 -0.51 0.00 0.00 176.95 177.27 2i6z h VAL 109 N 5.96 1.18 -0.46 4.03 -1.51 -1.83 -0.30 116.25 123.33 2i6z h VAL 109 Ca -0.28 -0.36 -0.06 0.00 -1.23 0.00 0.00 66.70 64.77 2i6z h VAL 109 Cb 1.08 0.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.39 2i6z h VAL 109 CO 1.14 0.18 0.06 0.00 -1.23 0.00 0.00 177.57 177.72 2i6z h ALA 110 N 1.55 1.24 -0.03 5.19 0.00 -1.92 0.11 119.26 125.41 2i6z h ALA 110 Ca 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2i6z h ALA 110 Cb -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2i6z h ALA 110 CO -0.05 0.51 0.02 2.35 0.00 0.00 0.00 179.25 182.08 2i6z h TRP 111 N 0.68 0.04 -0.41 0.00 7.01 -1.40 -0.07 115.95 121.80 2i6z h TRP 111 Ca 0.15 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2i6z h TRP 111 Cb 0.34 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 2i6z h TRP 111 CO 0.02 0.06 0.27 -0.09 -2.79 0.00 0.00 178.44 175.90 2i6z h ARG 112 N 0.02 0.54 0.00 2.65 2.43 -0.70 0.21 114.38 119.52 2i6z h ARG 112 Ca 0.01 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2i6z h ARG 112 Cb 0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2i6z h ARG 112 CO -0.00 0.36 -0.24 -0.91 -1.51 0.00 0.00 179.97 177.66 2i6z h ASN 113 N 0.55 0.00 0.00 -3.80 2.35 -0.75 -3.36 115.58 110.57 2i6z h ASN 113 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2i6z h ASN 113 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2i6z h ASN 113 CO -0.03 0.24 -0.48 0.54 -1.65 0.00 0.00 177.43 176.05 2i6z n ARG 114 N -3.19 2.73 -0.03 0.81 1.74 -0.05 -4.92 116.66 113.75 2i6z n ARG 114 Ca 0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.05 2i6z n ARG 114 Cb 0.59 -0.70 -0.03 0.00 -1.02 0.00 0.00 32.46 31.31 2i6z n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i6z n LYS 116 N -2.94 1.97 0.00 0.00 4.81 0.09 -1.49 118.16 120.60 2i6z n LYS 116 Ca -0.11 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2i6z n LYS 116 Cb 0.60 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.17 2i6z n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i6z n GLY 117 N 3.61 2.32 3.95 3.14 0.00 -1.26 -4.95 105.19 112.00 2i6z n GLY 117 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2i6z n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i6z s THR 118 N -2.39 2.83 -1.17 2.61 -4.23 -0.55 -4.97 115.64 107.77 2i6z s THR 118 Ca 0.00 -0.39 -0.21 0.00 -1.18 0.00 0.00 61.69 59.91 2i6z s THR 118 Cb 0.00 -3.13 -0.05 0.00 1.34 0.00 0.00 72.50 70.66 2i6z s THR 118 CO 0.00 -0.11 1.90 -0.67 -0.54 0.00 0.00 174.62 175.20 2i6z n ASP 119 N -2.57 3.48 0.23 3.99 2.03 -1.26 -4.76 116.55 117.70 2i6z n ASP 119 Ca 0.07 -2.76 0.09 0.00 0.52 0.00 0.00 54.79 52.71 2i6z n ASP 119 Cb 0.59 -1.65 0.52 0.00 -0.72 0.00 0.00 41.12 39.86 2i6z n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2i6z h VAL 120 N 5.68 0.71 -0.01 5.18 -1.51 -1.89 -2.46 116.25 121.94 2i6z h VAL 120 Ca 0.32 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 2i6z h VAL 120 Cb 0.87 1.63 -0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2i6z h VAL 120 CO 1.41 0.23 0.02 -0.61 -1.23 0.00 0.00 177.57 177.39 2i6z h GLN 121 N 0.00 0.00 -0.36 5.19 -0.00 -1.86 -0.08 115.11 118.00 2i6z h GLN 121 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.75 2i6z h GLN 121 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.08 2i6z h GLN 121 CO 0.03 0.00 0.29 0.00 0.00 0.00 0.00 178.83 179.15 2i6z h ALA 122 N 1.98 2.21 0.00 3.38 0.00 -1.83 -1.25 119.26 123.75 2i6z h ALA 122 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2i6z h ALA 122 Cb 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2i6z h ALA 122 CO -0.00 -0.47 -0.04 -1.49 0.00 0.00 0.00 179.25 177.24 2i6z h TRP 123 N 0.00 0.00 -0.34 0.00 4.06 -1.21 -2.92 115.95 115.54 2i6z h TRP 123 Ca 0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.12 2i6z h TRP 123 Cb 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 2i6z h TRP 123 CO 0.00 0.04 0.00 0.44 -3.56 0.00 0.00 178.44 175.36 2i6z n ILE 124 N -3.17 1.05 -1.78 1.49 -5.35 -0.49 -4.82 119.36 106.28 2i6z n ILE 124 Ca 0.00 -1.03 -0.41 0.00 -0.27 0.00 0.00 62.75 61.04 2i6z n ILE 124 Cb 0.30 0.47 -0.01 0.00 -1.74 0.00 0.00 39.64 38.66 2i6z n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2i6z s ARG 125 N -1.06 4.11 0.00 6.28 1.04 -1.10 -2.68 118.95 125.54 2i6z s ARG 125 Ca 0.24 2.58 0.00 0.00 -1.04 0.00 0.00 55.73 57.51 2i6z s ARG 125 Cb 0.13 -3.00 0.00 0.00 -2.04 0.00 0.00 34.95 30.04 2i6z s ARG 125 CO 0.15 -0.60 0.00 0.41 -0.04 0.00 0.00 175.30 175.23 2i6z n GLY 126 N 1.49 2.31 3.74 3.88 0.00 -1.26 -5.01 105.19 110.34 2i6z n GLY 126 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2i6z n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i6z s ARG 128 N 0.05 3.53 0.00 0.00 0.52 -1.26 -5.12 118.95 116.67 2i6z s ARG 128 Ca 0.40 -1.46 0.20 0.00 -0.52 0.00 0.00 55.73 54.35 2i6z s ARG 128 Cb -0.21 -5.40 0.15 0.00 0.52 0.00 0.00 34.95 30.02 2i6z s ARG 128 CO 0.23 -2.58 1.12 1.28 0.02 0.00 0.00 175.30 175.38