#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtn s VAL 2 N 0.00 4.85 0.47 3.15 1.01 -1.26 -1.30 120.40 127.32 1wtn s VAL 2 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 1wtn s VAL 2 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 1wtn s VAL 2 CO 0.00 0.07 0.99 -0.36 0.00 0.00 0.00 175.10 175.80 1wtn s PHE 3 N 1.66 3.23 0.58 5.22 0.40 -0.55 -5.01 117.98 123.50 1wtn s PHE 3 Ca 0.05 1.57 -0.09 0.00 -0.60 0.00 0.00 56.93 57.87 1wtn s PHE 3 Cb -0.17 -2.91 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 1wtn s PHE 3 CO 0.08 -0.41 0.95 0.20 0.70 0.00 0.00 175.22 176.74 1wtn s GLY 4 N -2.31 1.60 0.11 4.36 0.00 -1.26 -4.85 107.32 104.98 1wtn s GLY 4 Ca 0.63 -0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.83 1wtn s GLY 4 CO 0.19 -0.01 1.64 -0.09 0.00 0.00 0.00 173.10 174.83 1wtn h ARG 5 N -0.15 -0.44 -0.03 2.90 2.43 -1.98 -0.39 114.38 116.73 1wtn h ARG 5 Ca -0.45 0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.60 1wtn h ARG 5 Cb 1.20 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 1wtn h ARG 5 CO 0.62 -0.29 -0.69 0.00 -1.51 0.00 0.00 179.97 178.10 1wtn h GLU 7 N 0.09 0.33 -0.51 0.00 4.81 -1.91 -0.97 114.58 116.42 1wtn h GLU 7 Ca -0.01 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1wtn h GLU 7 Cb 1.22 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1wtn h GLU 7 CO 0.10 0.22 -0.06 1.25 -0.73 0.00 0.00 179.01 179.79 1wtn h LEU 8 N 0.34 0.93 -0.39 1.64 5.85 -0.91 -2.07 115.31 120.71 1wtn h LEU 8 Ca 0.12 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1wtn h LEU 8 Cb 0.02 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1wtn h LEU 8 CO -0.07 1.04 0.12 0.00 -0.34 0.00 0.00 178.44 179.20 1wtn h ALA 9 N 0.92 0.45 -0.48 1.25 0.00 -0.98 0.11 119.26 120.53 1wtn h ALA 9 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wtn h ALA 9 Cb 0.60 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wtn h ALA 9 CO 0.04 -0.27 0.30 0.00 0.00 0.00 0.00 179.25 179.32 1wtn h ALA 10 N 1.26 0.61 -0.64 0.00 0.00 -1.09 0.12 119.26 119.52 1wtn h ALA 10 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wtn h ALA 10 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1wtn h ALA 10 CO -0.19 0.08 0.34 0.00 0.00 0.00 0.00 179.25 179.47 1wtn h ALA 11 N 1.15 0.82 -0.37 0.00 0.00 -0.91 -1.23 119.26 118.72 1wtn h ALA 11 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1wtn h ALA 11 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1wtn h ALA 11 CO -0.03 0.35 -0.21 0.52 0.00 0.00 0.00 179.25 179.87 1wtn h MET 12 N 0.87 0.73 -0.74 0.00 2.86 -0.56 -2.50 114.93 115.58 1wtn h MET 12 Ca 0.22 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1wtn h MET 12 Cb 0.07 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1wtn h MET 12 CO -0.03 0.88 0.22 -0.22 1.06 0.00 0.00 176.91 178.81 1wtn h LYS 13 N 0.64 1.16 -0.04 1.72 3.64 -0.68 -2.42 116.57 120.60 1wtn h LYS 13 Ca 0.09 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1wtn h LYS 13 Cb 0.70 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1wtn h LYS 13 CO 0.05 1.00 -0.14 0.00 -2.27 0.00 0.00 179.45 178.09 1wtn h ARG 14 N 1.11 0.06 -0.39 1.90 3.08 -0.99 -1.90 114.38 117.26 1wtn h ARG 14 Ca 0.24 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1wtn h ARG 14 Cb 0.33 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1wtn h ARG 14 CO -0.00 0.20 0.00 0.72 -1.07 0.00 0.00 179.97 179.82 1wtn n HIS 15 N -4.34 0.52 -1.23 3.04 8.25 -0.96 -4.94 115.22 115.56 1wtn n HIS 15 Ca -0.02 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1wtn n HIS 15 Cb 0.23 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1wtn n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wtn n GLY 16 N 1.12 0.54 0.16 -1.41 0.00 -0.71 -4.96 105.19 99.92 1wtn n GLY 16 Ca 0.13 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.41 1wtn n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wtn h LEU 17 N 0.00 0.00 -9.13 0.99 3.38 -1.64 -3.41 115.31 105.50 1wtn h LEU 17 Ca 0.00 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 1wtn h LEU 17 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1wtn h LEU 17 CO 0.00 0.01 1.22 -0.62 0.09 0.00 0.00 178.44 179.14 1wtn s ASP 18 N -5.66 6.25 0.00 -0.43 2.15 -1.26 -1.98 116.67 115.74 1wtn s ASP 18 Ca 0.04 2.01 0.00 0.00 0.43 0.00 0.00 52.55 55.03 1wtn s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1wtn s ASP 18 CO 0.72 -1.30 0.00 0.59 -0.17 0.00 0.00 175.17 175.01 1wtn n ASN 19 N 8.69 -3.68 -4.68 -0.34 5.03 -0.18 -4.86 115.26 115.24 1wtn n ASN 19 Ca 0.21 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.24 1wtn n ASN 19 Cb 0.44 -1.21 -0.03 0.00 -1.02 0.00 0.00 39.78 37.96 1wtn n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1wtn s TYR 20 N -1.77 2.06 -1.22 3.10 5.04 -0.84 -1.51 117.35 122.22 1wtn s TYR 20 Ca 0.00 0.07 -0.03 0.00 -2.44 0.00 0.00 57.07 54.68 1wtn s TYR 20 Cb 0.00 -4.05 0.02 0.00 0.35 0.00 0.00 41.96 38.27 1wtn s TYR 20 CO 0.00 -4.40 0.18 0.54 -1.34 0.00 0.00 175.55 170.53 1wtn n ARG 21 N 6.26 -2.76 -0.47 4.97 5.12 -1.26 -1.69 116.66 126.83 1wtn n ARG 21 Ca 0.17 0.63 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 1wtn n ARG 21 Cb 0.41 -5.29 0.00 0.00 -1.16 0.00 0.00 32.46 26.41 1wtn n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wtn n GLY 22 N -0.98 0.75 3.22 -0.13 0.00 -0.57 -5.06 105.19 102.42 1wtn n GLY 22 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1wtn n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wtn s TYR 23 N -2.39 3.22 0.86 1.61 2.02 -0.68 -4.94 117.35 117.05 1wtn s TYR 23 Ca 0.00 -1.62 -0.11 0.00 -0.37 0.00 0.00 57.07 54.97 1wtn s TYR 23 Cb 0.00 -2.16 0.11 0.00 -0.40 0.00 0.00 41.96 39.51 1wtn s TYR 23 CO 0.00 -0.75 1.14 -1.54 -1.57 0.00 0.00 175.55 172.83 1wtn s SER 24 N 1.33 3.47 0.28 2.29 1.04 -1.26 -1.01 113.70 119.84 1wtn s SER 24 Ca -0.03 2.12 0.01 0.00 0.48 0.00 0.00 55.95 58.53 1wtn s SER 24 Cb -0.19 -2.56 0.53 0.00 0.10 0.00 0.00 66.02 63.90 1wtn s SER 24 CO -0.00 -2.74 1.85 0.25 0.98 0.00 0.00 173.24 173.58 1wtn h LEU 25 N -1.49 0.95 -1.85 2.42 5.85 -1.89 -1.34 115.31 117.95 1wtn h LEU 25 Ca -0.44 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.42 1wtn h LEU 25 Cb 1.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1wtn h LEU 25 CO 0.45 0.53 0.31 1.23 -0.34 0.00 0.00 178.44 180.62 1wtn h GLY 26 N 1.03 0.23 0.82 3.75 0.00 -1.91 -1.23 103.07 105.77 1wtn h GLY 26 Ca 0.48 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.77 1wtn h GLY 26 CO -0.24 0.04 0.33 3.43 0.00 0.00 0.00 176.54 180.11 1wtn h ASN 27 N 0.17 0.53 -0.20 0.19 2.35 -1.46 -0.77 115.58 116.38 1wtn h ASN 27 Ca 0.21 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.81 1wtn h ASN 27 Cb 0.61 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1wtn h ASN 27 CO -0.03 0.37 -0.45 -0.50 -1.65 0.00 0.00 177.43 175.16 1wtn h TRP 28 N 0.65 0.93 -0.28 1.19 4.06 -1.35 -0.38 115.95 120.77 1wtn h TRP 28 Ca 0.24 -0.29 -0.07 0.00 2.06 0.00 0.00 58.89 60.82 1wtn h TRP 28 Cb 0.06 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 1wtn h TRP 28 CO -0.07 1.07 -0.11 0.28 -3.56 0.00 0.00 178.44 176.05 1wtn h VAL 29 N 0.61 1.29 -0.54 1.49 2.07 -1.32 -1.68 116.25 118.18 1wtn h VAL 29 Ca 0.04 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1wtn h VAL 29 Cb 1.02 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1wtn h VAL 29 CO 0.10 0.37 0.33 0.00 0.02 0.00 0.00 177.57 178.39 1wtn h ALA 31 N 1.16 0.51 -0.67 0.00 0.00 -0.97 -2.33 119.26 116.96 1wtn h ALA 31 Ca 0.20 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1wtn h ALA 31 Cb -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1wtn h ALA 31 CO -0.04 -0.15 0.19 0.00 0.00 0.00 0.00 179.25 179.25 1wtn h ALA 32 N 1.22 1.07 -0.15 0.00 0.00 -1.00 0.79 119.26 121.18 1wtn h ALA 32 Ca 0.18 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wtn h ALA 32 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1wtn h ALA 32 CO -0.12 0.62 -0.06 -0.22 0.00 0.00 0.00 179.25 179.47 1wtn h LYS 33 N 1.00 -0.04 0.00 0.00 1.63 -0.91 -1.70 116.57 116.54 1wtn h LYS 33 Ca 0.22 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.01 1wtn h LYS 33 Cb 0.31 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1wtn h LYS 33 CO -0.01 -0.03 -0.64 0.74 -3.45 0.00 0.00 179.45 176.06 1wtn h PHE 34 N -0.04 0.00 0.04 1.91 0.04 -1.23 -0.70 116.94 116.96 1wtn h PHE 34 Ca 0.08 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.70 1wtn h PHE 34 Cb 0.17 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.33 1wtn h PHE 34 CO -0.21 0.02 -0.63 0.93 -0.60 0.00 0.00 178.31 177.82 1wtn h GLU 35 N 0.00 0.36 0.00 1.51 4.39 -0.80 -3.43 114.58 116.61 1wtn h GLU 35 Ca -0.00 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1wtn h GLU 35 Cb 1.02 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1wtn h GLU 35 CO 0.00 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.85 1wtn n SER 36 N -4.22 0.31 -3.44 1.42 3.41 -0.66 -4.88 113.62 105.57 1wtn n SER 36 Ca -0.11 -0.84 -0.25 0.00 -0.26 0.00 0.00 58.87 57.41 1wtn n SER 36 Cb 0.70 0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.76 1wtn n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wtn n ASN 37 N -0.08 -5.01 -1.20 4.04 5.15 -0.27 -2.15 115.26 115.74 1wtn n ASN 37 Ca 0.00 -0.49 -0.14 0.00 -0.60 0.00 0.00 54.58 53.35 1wtn n ASN 37 Cb 0.12 -4.05 -0.05 0.00 -0.53 0.00 0.00 39.78 35.28 1wtn n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1wtn n PHE 38 N -4.43 -0.15 -3.79 1.20 3.72 -1.18 -4.85 117.46 107.98 1wtn n PHE 38 Ca -0.02 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.01 1wtn n PHE 38 Cb 0.56 -2.62 -0.12 0.00 -0.94 0.00 0.00 39.48 36.36 1wtn n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1wtn s ASN 39 N -2.74 5.40 0.23 4.37 3.84 -0.91 -1.48 114.94 123.64 1wtn s ASN 39 Ca 0.00 -0.11 0.22 0.00 0.21 0.00 0.00 52.86 53.18 1wtn s ASN 39 Cb 0.00 -1.97 0.94 0.00 -0.55 0.00 0.00 41.25 39.67 1wtn s ASN 39 CO 0.00 0.01 1.68 0.35 -2.79 0.00 0.00 177.10 176.35 1wtn n THR 40 N 4.63 0.86 -0.28 -5.21 -2.24 -0.42 -2.91 114.28 108.72 1wtn n THR 40 Ca -0.16 0.25 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 1wtn n THR 40 Cb 0.52 -1.16 0.23 0.00 -2.10 0.00 0.00 70.33 67.81 1wtn n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wtn n GLN 41 N -2.15 2.85 -1.74 -0.78 6.02 -1.26 -4.00 117.38 116.31 1wtn n GLN 41 Ca 0.02 -2.33 -0.42 0.00 -0.01 0.00 0.00 57.00 54.27 1wtn n GLN 41 Cb 0.22 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 1wtn n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wtn n ALA 42 N 0.94 2.61 -2.91 -1.58 0.00 -1.14 -4.78 120.51 113.65 1wtn n ALA 42 Ca 0.17 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.87 1wtn n ALA 42 Cb 0.52 -2.47 -0.13 0.00 0.00 0.00 0.00 19.45 17.37 1wtn n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wtn s THR 43 N 0.10 0.04 -0.05 0.00 -4.23 -1.26 -0.25 115.64 109.98 1wtn s THR 43 Ca 0.65 -0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1wtn s THR 43 Cb -0.49 -0.10 0.04 0.00 1.34 0.00 0.00 72.50 73.28 1wtn s THR 43 CO 0.47 -0.17 0.11 0.20 -0.54 0.00 0.00 174.62 174.69 1wtn s ASN 44 N -0.51 0.30 0.15 3.99 -0.87 -0.76 -4.97 114.94 112.27 1wtn s ASN 44 Ca -0.06 0.21 -0.17 0.00 -1.57 0.00 0.00 52.86 51.28 1wtn s ASN 44 Cb -0.03 0.10 -0.07 0.00 -0.02 0.00 0.00 41.25 41.22 1wtn s ASN 44 CO -0.00 -0.18 0.60 -0.13 -2.57 0.00 0.00 177.10 174.82 1wtn s ARG 45 N 1.54 4.11 0.35 -0.60 0.52 -1.26 -0.69 118.95 122.92 1wtn s ARG 45 Ca -0.04 0.66 0.08 0.00 -0.52 0.00 0.00 55.73 55.91 1wtn s ARG 45 Cb -0.12 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 1wtn s ARG 45 CO -0.05 0.50 0.13 -0.80 0.02 0.00 0.00 175.30 175.10 1wtn s ASN 46 N -1.55 4.56 0.55 0.23 0.01 0.23 -4.98 114.94 114.00 1wtn s ASN 46 Ca 0.37 -0.85 0.34 0.00 -0.71 0.00 0.00 52.86 52.00 1wtn s ASN 46 Cb -0.17 -0.65 1.41 0.00 0.41 0.00 0.00 41.25 42.25 1wtn s ASN 46 CO 0.20 -0.33 2.00 0.71 -1.51 0.00 0.00 177.10 178.17 1wtn h THR 47 N 1.56 0.05 -0.25 1.60 1.35 -1.99 -2.65 112.91 112.59 1wtn h THR 47 Ca -0.43 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1wtn h THR 47 Cb 1.25 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1wtn h THR 47 CO 0.65 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 1wtn n ASP 48 N -3.12 1.59 0.00 5.36 5.75 -1.26 -4.89 116.55 119.98 1wtn n ASP 48 Ca 0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1wtn n ASP 48 Cb 0.30 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1wtn n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wtn n GLY 49 N 1.04 0.81 3.93 6.12 0.00 -1.00 -4.75 105.19 111.33 1wtn n GLY 49 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1wtn n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wtn s SER 50 N -3.00 5.72 0.02 1.61 1.04 -1.26 -4.51 113.70 113.32 1wtn s SER 50 Ca 0.00 0.59 0.04 0.00 0.48 0.00 0.00 55.95 57.06 1wtn s SER 50 Cb 0.00 -1.69 -0.02 0.00 0.10 0.00 0.00 66.02 64.42 1wtn s SER 50 CO 0.00 -0.91 -0.12 -0.89 0.98 0.00 0.00 173.24 172.31 1wtn s THR 51 N -2.83 0.90 -0.15 2.02 2.01 -1.26 -0.60 115.64 115.73 1wtn s THR 51 Ca 0.52 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.67 1wtn s THR 51 Cb -0.10 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1wtn s THR 51 CO 0.43 0.06 0.19 -1.81 -0.69 0.00 0.00 174.62 172.80 1wtn s ASP 52 N -0.77 6.37 -0.08 3.53 1.01 0.14 -1.20 116.67 125.67 1wtn s ASP 52 Ca 0.01 0.43 0.04 0.00 0.71 0.00 0.00 52.55 53.74 1wtn s ASP 52 Cb -0.06 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.75 1wtn s ASP 52 CO 0.00 0.25 -0.21 -0.31 0.21 0.00 0.00 175.17 175.11 1wtn s TYR 53 N -0.18 2.19 0.00 4.23 1.51 -0.11 -1.82 117.35 123.17 1wtn s TYR 53 Ca 0.13 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 1wtn s TYR 53 Cb -0.12 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1wtn s TYR 53 CO 0.02 -0.33 0.00 0.41 -1.11 0.00 0.00 175.55 174.55 1wtn n GLY 54 N 3.46 -1.85 0.24 0.71 0.00 0.65 -1.54 105.19 106.85 1wtn n GLY 54 Ca -0.20 -1.59 0.09 0.00 0.00 0.00 0.00 46.02 44.33 1wtn n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wtn h ILE 55 N 0.00 0.84 -0.22 -0.61 2.10 -1.69 -1.61 117.51 116.32 1wtn h ILE 55 Ca 0.00 -0.65 0.00 0.00 1.08 0.00 0.00 64.86 65.29 1wtn h ILE 55 Cb 0.00 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 1wtn h ILE 55 CO 0.00 0.17 0.00 0.18 -1.08 0.00 0.00 178.15 177.42 1wtn n LEU 56 N -3.93 3.24 -3.82 2.19 4.77 -1.26 -4.24 117.00 113.95 1wtn n LEU 56 Ca -0.02 -2.66 -0.31 0.00 -0.03 0.00 0.00 56.01 52.98 1wtn n LEU 56 Cb 0.26 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1wtn n LEU 56 CO 0.33 0.68 -0.14 0.00 -1.33 0.00 0.00 177.39 176.93 1wtn n GLN 57 N -0.37 -1.77 -2.78 3.23 1.13 -0.60 -4.90 117.38 111.32 1wtn n GLN 57 Ca 0.16 0.39 -0.41 0.00 -1.94 0.00 0.00 57.00 55.20 1wtn n GLN 57 Cb 0.67 -4.06 -0.04 0.00 0.11 0.00 0.00 30.24 26.93 1wtn n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wtn s ILE 58 N -3.64 4.77 0.09 5.09 1.01 -0.59 -4.38 121.20 123.55 1wtn s ILE 58 Ca 0.32 1.96 -0.21 0.00 0.00 0.00 0.00 60.65 62.72 1wtn s ILE 58 Cb -0.13 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 1wtn s ILE 58 CO 0.88 0.23 0.62 0.21 0.00 0.00 0.00 174.94 176.89 1wtn s ASN 59 N 0.61 7.14 0.00 3.58 3.84 -1.26 -0.94 114.94 127.90 1wtn s ASN 59 Ca 0.48 1.35 0.29 0.00 0.21 0.00 0.00 52.86 55.19 1wtn s ASN 59 Cb -0.21 -2.39 1.37 0.00 -0.55 0.00 0.00 41.25 39.46 1wtn s ASN 59 CO 0.27 0.24 1.95 -1.54 -2.79 0.00 0.00 177.10 175.23 1wtn n SER 60 N 1.81 0.30 0.04 -4.21 3.41 -0.34 -1.93 113.62 112.69 1wtn n SER 60 Ca -0.09 -0.48 -0.20 0.00 -0.26 0.00 0.00 58.87 57.85 1wtn n SER 60 Cb 0.50 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.21 1wtn n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wtn h ARG 61 N 0.36 0.59 0.00 4.33 2.43 -1.84 -3.42 114.38 116.83 1wtn h ARG 61 Ca 0.00 -0.66 -0.32 0.00 -0.81 0.00 0.00 59.98 58.19 1wtn h ARG 61 Cb 0.31 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 1wtn h ARG 61 CO 0.00 1.26 -2.22 0.91 -1.51 0.00 0.00 179.97 178.42 1wtn n TRP 62 N -3.97 0.00 -0.07 2.20 7.02 -1.23 -1.17 117.44 120.22 1wtn n TRP 62 Ca -0.11 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.25 1wtn n TRP 62 Cb 0.83 -0.83 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 1wtn n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1wtn n TRP 63 N -3.05 0.00 -4.40 -5.99 7.02 -0.81 -1.18 117.44 109.03 1wtn n TRP 63 Ca -0.36 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 55.90 1wtn n TRP 63 Cb 0.93 -0.50 -0.10 0.00 -2.42 0.00 0.00 31.31 29.22 1wtn n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wtn s ASN 65 N -3.27 6.00 0.00 0.00 2.47 -0.62 -4.40 114.94 115.11 1wtn s ASN 65 Ca 0.24 -0.05 0.12 0.00 0.42 0.00 0.00 52.86 53.59 1wtn s ASN 65 Cb -0.03 -2.12 0.19 0.00 -1.45 0.00 0.00 41.25 37.84 1wtn s ASN 65 CO 0.10 -0.07 1.04 -0.90 -3.72 0.00 0.00 177.10 173.55 1wtn n ASP 66 N 5.06 2.40 0.00 -4.21 5.68 -1.26 -1.01 116.55 123.21 1wtn n ASP 66 Ca -0.14 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1wtn n ASP 66 Cb 0.52 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1wtn n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wtn n GLY 67 N 0.67 1.03 0.07 6.12 0.00 -1.26 -4.78 105.19 107.04 1wtn n GLY 67 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wtn n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wtn n ARG 68 N -2.00 0.72 -3.82 1.61 1.85 -1.26 -5.03 116.66 108.72 1wtn n ARG 68 Ca 0.00 -0.89 -0.36 0.00 -1.00 0.00 0.00 57.85 55.60 1wtn n ARG 68 Cb 0.00 -0.66 -0.13 0.00 -1.05 0.00 0.00 32.46 30.62 1wtn n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1wtn s THR 69 N -0.36 3.80 0.32 8.89 2.01 -1.26 -4.92 115.64 124.12 1wtn s THR 69 Ca 0.02 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 1wtn s THR 69 Cb 0.01 -2.82 -0.11 0.00 0.01 0.00 0.00 72.50 69.60 1wtn s THR 69 CO 0.00 0.30 1.44 -2.84 -0.69 0.00 0.00 174.62 172.83 1wtn s PRO 70 N 1.52 4.22 -0.07 4.92 0.02 -1.26 -3.04 135.00 141.31 1wtn s PRO 70 Ca 0.05 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1wtn s PRO 70 Cb -0.15 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1wtn s PRO 70 CO 0.00 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1wtn n GLY 71 N 1.27 0.46 3.69 0.52 0.00 -1.26 -4.94 105.19 104.92 1wtn n GLY 71 Ca 0.03 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.86 1wtn n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wtn n SER 72 N 1.30 3.36 -0.02 1.61 2.88 -1.17 -4.85 113.62 116.73 1wtn n SER 72 Ca -0.01 1.09 0.07 0.00 -1.33 0.00 0.00 58.87 58.69 1wtn n SER 72 Cb 0.03 -1.48 -0.13 0.00 -0.75 0.00 0.00 64.21 61.88 1wtn n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wtn n ARG 73 N 3.30 0.62 -3.89 -1.46 5.12 -0.32 -5.02 116.66 115.02 1wtn n ARG 73 Ca 0.15 -0.14 -0.29 0.00 -1.93 0.00 0.00 57.85 55.65 1wtn n ARG 73 Cb 0.31 -1.40 -0.00 0.00 -1.16 0.00 0.00 32.46 30.21 1wtn n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1wtn n ASN 74 N -2.15 -2.02 0.25 0.55 5.15 -1.08 -4.86 115.26 111.10 1wtn n ASN 74 Ca -0.06 -1.04 0.14 0.00 -0.60 0.00 0.00 54.58 53.02 1wtn n ASN 74 Cb 0.51 -3.02 0.53 0.00 -0.53 0.00 0.00 39.78 37.27 1wtn n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1wtn h LEU 75 N -1.91 0.00 -0.03 1.20 3.38 -1.04 -1.22 115.31 115.68 1wtn h LEU 75 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1wtn h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1wtn h LEU 75 CO 0.58 0.09 -0.27 0.00 0.09 0.00 0.00 178.44 178.93 1wtn n ASN 77 N -1.43 -4.76 -3.71 0.00 5.15 -0.46 -4.98 115.26 105.07 1wtn n ASN 77 Ca 0.07 -0.80 -0.13 0.00 -0.60 0.00 0.00 54.58 53.12 1wtn n ASN 77 Cb 0.33 -4.49 -0.09 0.00 -0.53 0.00 0.00 39.78 34.99 1wtn n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1wtn s ILE 78 N -3.46 -0.00 0.38 -1.44 1.10 -1.26 -5.07 121.20 111.44 1wtn s ILE 78 Ca 0.33 0.01 -0.27 0.00 -0.51 0.00 0.00 60.65 60.20 1wtn s ILE 78 Cb -0.07 -0.66 -0.10 0.00 0.15 0.00 0.00 42.46 41.78 1wtn s ILE 78 CO 0.79 0.00 1.35 -2.84 -2.11 0.00 0.00 174.94 172.13 1wtn s PRO 79 N 0.35 4.10 0.54 3.50 0.02 -1.26 -1.59 135.00 140.66 1wtn s PRO 79 Ca -0.01 2.28 0.24 0.00 0.02 0.00 0.00 61.00 63.54 1wtn s PRO 79 Cb -0.04 -2.90 1.51 0.00 0.02 0.00 0.00 34.50 33.10 1wtn s PRO 79 CO -0.01 -0.43 2.15 0.00 -0.33 0.00 0.00 177.00 178.39 1wtn h SER 81 N 0.00 0.00 0.85 0.00 4.64 -1.91 -0.57 113.55 116.56 1wtn h SER 81 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1wtn h SER 81 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1wtn h SER 81 CO 0.01 0.05 -0.10 0.00 -0.87 0.00 0.00 176.83 175.92 1wtn h ALA 82 N 1.95 1.05 -0.02 5.18 0.00 -1.79 -2.47 119.26 123.16 1wtn h ALA 82 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wtn h ALA 82 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wtn h ALA 82 CO 0.01 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1wtn n LEU 83 N -3.27 0.33 -1.05 0.00 4.77 -0.22 -3.20 117.00 114.35 1wtn n LEU 83 Ca -0.00 -0.12 0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1wtn n LEU 83 Cb 0.33 -0.01 0.25 0.00 -2.33 0.00 0.00 43.42 41.66 1wtn n LEU 83 CO 0.29 0.06 0.71 0.18 -1.33 0.00 0.00 177.39 177.31 1wtn n LEU 84 N -0.67 3.58 -4.75 2.23 4.77 -0.93 -4.15 117.00 117.07 1wtn n LEU 84 Ca 0.20 -2.07 -0.33 0.00 -0.03 0.00 0.00 56.01 53.78 1wtn n LEU 84 Cb 0.14 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 40.92 1wtn n LEU 84 CO 0.15 0.86 0.74 -0.55 -1.33 0.00 0.00 177.39 177.26 1wtn s SER 85 N -1.02 4.64 0.32 -1.43 0.15 -1.19 -4.61 113.70 110.55 1wtn s SER 85 Ca 0.38 2.05 0.26 0.00 0.70 0.00 0.00 55.95 59.34 1wtn s SER 85 Cb 0.21 -2.55 0.88 0.00 -1.71 0.00 0.00 66.02 62.84 1wtn s SER 85 CO 0.24 -1.95 1.76 0.28 1.20 0.00 0.00 173.24 174.78 1wtn h SER 86 N -0.41 0.00 -3.38 5.45 0.02 -1.93 -3.42 113.55 109.88 1wtn h SER 86 Ca -0.46 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 59.91 1wtn h SER 86 Cb 1.25 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.71 1wtn h SER 86 CO 0.52 0.00 0.06 -0.62 -1.14 0.00 0.00 176.83 175.65 1wtn s ASP 87 N -4.90 6.76 0.00 3.07 -1.08 -1.26 -4.93 116.67 114.33 1wtn s ASP 87 Ca 0.07 0.92 0.25 0.00 -0.52 0.00 0.00 52.55 53.27 1wtn s ASP 87 Cb 0.10 -2.35 1.17 0.00 -1.46 0.00 0.00 42.92 40.37 1wtn s ASP 87 CO 0.54 -0.18 1.79 2.30 0.52 0.00 0.00 175.17 180.14 1wtn n ILE 88 N 4.25 0.06 -0.07 4.11 -5.35 -1.26 -4.41 119.36 116.69 1wtn n ILE 88 Ca -0.02 -0.18 -0.07 0.00 -0.27 0.00 0.00 62.75 62.21 1wtn n ILE 88 Cb 0.50 0.11 -0.01 0.00 -1.74 0.00 0.00 39.64 38.50 1wtn n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1wtn h THR 89 N 1.40 0.71 -0.69 7.28 2.02 -1.95 -0.34 112.91 121.34 1wtn h THR 89 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1wtn h THR 89 Cb 0.30 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1wtn h THR 89 CO 0.00 0.00 0.22 0.00 0.37 0.00 0.00 175.52 176.11 1wtn h ALA 90 N 1.27 1.09 -0.39 6.16 0.00 -1.87 -0.66 119.26 124.86 1wtn h ALA 90 Ca 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1wtn h ALA 90 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wtn h ALA 90 CO -0.29 0.62 0.15 0.77 0.00 0.00 0.00 179.25 180.50 1wtn h SER 91 N 1.02 0.55 -0.46 0.00 0.02 -1.71 -1.90 113.55 111.07 1wtn h SER 91 Ca 0.23 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1wtn h SER 91 Cb 0.28 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1wtn h SER 91 CO -0.01 0.58 0.21 0.58 -1.14 0.00 0.00 176.83 177.06 1wtn h VAL 92 N 0.49 1.19 -0.75 2.27 2.07 -0.75 0.26 116.25 121.03 1wtn h VAL 92 Ca 0.13 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1wtn h VAL 92 Cb 0.21 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1wtn h VAL 92 CO -0.01 0.21 0.34 0.78 0.02 0.00 0.00 177.57 178.91 1wtn h ASN 93 N 0.60 0.98 -0.32 0.57 2.35 -1.02 -1.03 115.58 117.72 1wtn h ASN 93 Ca 0.16 -0.12 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 1wtn h ASN 93 Cb 0.13 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1wtn h ASN 93 CO -0.02 0.85 -0.45 0.00 -1.65 0.00 0.00 177.43 176.16 1wtn h ALA 95 N 0.71 1.64 -0.76 0.00 0.00 -0.53 -1.07 119.26 119.24 1wtn h ALA 95 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1wtn h ALA 95 Cb 1.05 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1wtn h ALA 95 CO 0.10 0.26 0.40 0.87 0.00 0.00 0.00 179.25 180.88 1wtn h LYS 96 N 0.83 1.07 -0.36 0.00 1.57 -1.11 -1.48 116.57 117.10 1wtn h LYS 96 Ca 0.32 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1wtn h LYS 96 Cb 0.19 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1wtn h LYS 96 CO -0.10 0.80 0.01 0.87 -0.57 0.00 0.00 179.45 180.45 1wtn h LYS 97 N 1.07 0.63 -0.50 3.15 1.57 -1.20 -2.86 116.57 118.43 1wtn h LYS 97 Ca 0.27 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1wtn h LYS 97 Cb 0.05 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1wtn h LYS 97 CO -0.04 0.73 0.30 0.82 -0.57 0.00 0.00 179.45 180.69 1wtn h ILE 98 N 0.45 1.06 0.00 1.86 2.04 -0.85 -1.91 117.51 120.16 1wtn h ILE 98 Ca 0.10 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1wtn h ILE 98 Cb 0.44 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1wtn h ILE 98 CO 0.02 0.11 0.00 0.58 0.00 0.00 0.00 178.15 178.86 1wtn h VAL 99 N 0.60 0.00 0.00 1.67 2.07 -1.29 -2.76 116.25 116.53 1wtn h VAL 99 Ca 0.20 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1wtn h VAL 99 Cb 0.01 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1wtn h VAL 99 CO -0.08 0.00 -0.72 0.28 0.02 0.00 0.00 177.57 177.06 1wtn h SER 100 N 0.00 0.00 -0.24 0.57 0.02 -1.25 -3.31 113.55 109.35 1wtn h SER 100 Ca 0.00 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1wtn h SER 100 Cb 0.69 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 1wtn h SER 100 CO 0.00 0.08 -0.24 -0.78 -1.14 0.00 0.00 176.83 174.75 1wtn h ASP 101 N 0.00 -0.76 0.00 3.07 3.58 -1.04 -3.46 116.42 117.81 1wtn h ASP 101 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1wtn h ASP 101 Cb 0.82 0.36 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1wtn h ASP 101 CO 0.00 -0.27 0.00 0.61 -2.88 0.00 0.00 179.24 176.70 1wtn n GLY 102 N -1.37 -2.09 1.13 -0.78 0.00 -1.26 -5.04 105.19 95.77 1wtn n GLY 102 Ca -0.01 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1wtn n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wtn n ASN 103 N -1.63 2.04 0.00 1.61 4.05 -1.26 -4.91 115.26 115.16 1wtn n ASN 103 Ca 0.00 -1.31 0.00 0.00 0.45 0.00 0.00 54.58 53.72 1wtn n ASN 103 Cb 0.00 -0.37 0.00 0.00 1.23 0.00 0.00 39.78 40.64 1wtn n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wtn n GLY 104 N 0.88 2.77 0.54 8.20 0.00 -1.24 -2.02 105.19 114.31 1wtn n GLY 104 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1wtn n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wtn n MET 105 N 14.00 1.69 0.12 1.61 2.81 -1.26 -3.99 117.12 132.10 1wtn n MET 105 Ca 0.00 -1.06 0.10 0.00 -1.81 0.00 0.00 57.70 54.93 1wtn n MET 105 Cb 0.00 -1.30 0.48 0.00 -0.71 0.00 0.00 33.22 31.68 1wtn n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1wtn n ASN 106 N 0.32 0.53 0.29 7.83 3.02 -0.86 -1.42 115.26 124.97 1wtn n ASN 106 Ca 0.13 0.68 0.14 0.00 -0.03 0.00 0.00 54.58 55.49 1wtn n ASN 106 Cb 0.28 -0.77 0.85 0.00 -0.61 0.00 0.00 39.78 39.53 1wtn n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wtn h ALA 107 N 2.17 1.57 -2.20 5.41 0.00 -1.75 -3.39 119.26 121.07 1wtn h ALA 107 Ca 0.00 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.19 1wtn h ALA 107 Cb 0.19 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.78 1wtn h ALA 107 CO 0.00 0.02 -0.14 -1.58 0.00 0.00 0.00 179.25 177.55 1wtn s TRP 108 N -4.65 3.14 0.23 0.00 0.51 -0.50 -4.95 118.94 112.72 1wtn s TRP 108 Ca -0.05 -0.71 -0.07 0.00 -2.12 0.00 0.00 56.10 53.15 1wtn s TRP 108 Cb 0.15 -3.34 0.26 0.00 -0.81 0.00 0.00 33.47 29.74 1wtn s TRP 108 CO 0.57 -0.91 1.86 -0.24 -0.51 0.00 0.00 176.95 177.72 1wtn h VAL 109 N 5.81 1.10 -0.25 4.03 3.04 -1.85 -1.37 116.25 126.76 1wtn h VAL 109 Ca -0.28 -0.34 -0.10 0.00 -1.01 0.00 0.00 66.70 64.97 1wtn h VAL 109 Cb 1.10 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 1wtn h VAL 109 CO 0.92 0.18 -0.29 0.00 -1.01 0.00 0.00 177.57 177.37 1wtn h ALA 110 N 1.36 1.04 -0.21 3.17 0.00 -1.92 -1.48 119.26 121.21 1wtn h ALA 110 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1wtn h ALA 110 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wtn h ALA 110 CO -0.13 0.58 0.10 2.35 0.00 0.00 0.00 179.25 182.15 1wtn h TRP 111 N 0.43 0.31 -0.91 0.00 7.01 -1.70 -0.37 115.95 120.72 1wtn h TRP 111 Ca 0.06 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1wtn h TRP 111 Cb 0.73 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.65 1wtn h TRP 111 CO 0.02 0.32 0.50 0.00 -2.79 0.00 0.00 178.44 176.50 1wtn h ARG 112 N 0.21 1.27 0.06 2.65 3.08 -0.93 0.04 114.38 120.76 1wtn h ARG 112 Ca 0.07 -0.15 -0.28 0.00 0.07 0.00 0.00 59.98 59.69 1wtn h ARG 112 Cb 0.13 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1wtn h ARG 112 CO -0.01 0.92 -1.50 -0.91 -1.07 0.00 0.00 179.97 177.40 1wtn h ASN 113 N 1.27 0.19 0.00 7.04 2.35 -1.25 -3.38 115.58 121.80 1wtn h ASN 113 Ca 0.32 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1wtn h ASN 113 Cb 0.02 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1wtn h ASN 113 CO -0.05 1.24 -0.22 0.54 -1.65 0.00 0.00 177.43 177.29 1wtn n ARG 114 N -3.31 5.55 -0.03 0.81 1.74 -0.15 -4.82 116.66 116.45 1wtn n ARG 114 Ca -0.14 -0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.87 1wtn n ARG 114 Cb 1.02 -0.64 -0.02 0.00 -1.02 0.00 0.00 32.46 31.80 1wtn n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wtn n LYS 116 N -3.27 2.27 -0.24 0.00 4.81 -0.12 -1.78 118.16 119.83 1wtn n LYS 116 Ca -0.13 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1wtn n LYS 116 Cb 0.60 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.12 1wtn n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wtn n GLY 117 N 2.46 0.79 3.73 3.14 0.00 -1.26 -4.90 105.19 109.15 1wtn n GLY 117 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1wtn n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wtn s THR 118 N -2.58 2.90 -0.91 2.61 -4.23 -0.73 -5.05 115.64 107.64 1wtn s THR 118 Ca 0.00 -1.71 -0.24 0.00 -1.18 0.00 0.00 61.69 58.56 1wtn s THR 118 Cb 0.00 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1wtn s THR 118 CO 0.00 -0.16 1.63 -0.62 -0.54 0.00 0.00 174.62 174.93 1wtn s ASP 119 N -3.85 5.90 0.15 3.99 2.15 -1.26 -4.81 116.67 118.94 1wtn s ASP 119 Ca 0.38 -0.92 0.26 0.00 0.43 0.00 0.00 52.55 52.70 1wtn s ASP 119 Cb -0.02 -2.56 0.93 0.00 -0.30 0.00 0.00 42.92 40.97 1wtn s ASP 119 CO 0.22 -2.04 1.78 1.33 -0.17 0.00 0.00 175.17 176.30 1wtn n VAL 120 N 7.19 0.51 0.34 1.11 0.24 -1.26 -2.64 118.33 123.82 1wtn n VAL 120 Ca 0.31 -0.10 0.14 0.00 -2.04 0.00 0.00 64.34 62.65 1wtn n VAL 120 Cb 0.49 -0.68 0.60 0.00 -1.47 0.00 0.00 33.84 32.79 1wtn n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1wtn h GLN 121 N 0.00 0.00 -0.12 7.34 7.50 -1.88 -1.81 115.11 126.14 1wtn h GLN 121 Ca 0.00 0.00 0.03 0.00 0.50 0.00 0.00 58.65 59.18 1wtn h GLN 121 Cb 0.59 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.11 1wtn h GLN 121 CO 0.00 0.00 0.10 0.00 -1.50 0.00 0.00 178.83 177.43 1wtn h ALA 122 N 2.15 1.89 0.00 3.87 0.00 -1.91 -2.32 119.26 122.93 1wtn h ALA 122 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wtn h ALA 122 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wtn h ALA 122 CO 0.00 -0.16 0.00 -1.49 0.00 0.00 0.00 179.25 177.60 1wtn h TRP 123 N 0.00 0.00 -0.17 0.00 4.06 -1.56 -2.81 115.95 115.47 1wtn h TRP 123 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1wtn h TRP 123 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1wtn h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1wtn n ILE 124 N -3.03 0.46 -1.75 1.49 -5.35 -0.88 -4.86 119.36 105.45 1wtn n ILE 124 Ca -0.00 -0.73 -0.42 0.00 -0.27 0.00 0.00 62.75 61.33 1wtn n ILE 124 Cb 0.24 0.89 -0.02 0.00 -1.74 0.00 0.00 39.64 39.02 1wtn n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1wtn n ARG 125 N 0.57 2.73 -0.90 6.28 0.63 -1.06 -2.43 116.66 122.46 1wtn n ARG 125 Ca 0.09 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 1wtn n ARG 125 Cb 0.34 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.50 1wtn n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wtn n GLY 126 N 2.17 0.91 3.86 5.14 0.00 -1.26 -5.03 105.19 110.98 1wtn n GLY 126 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1wtn n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtn s ARG 128 N -1.89 3.65 0.00 0.00 3.00 -1.26 -5.12 118.95 117.32 1wtn s ARG 128 Ca 0.34 0.19 0.00 0.00 0.00 0.00 0.00 55.73 56.26 1wtn s ARG 128 Cb -0.14 -3.85 0.00 0.00 0.00 0.00 0.00 34.95 30.96 1wtn s ARG 128 CO 0.18 -0.95 0.29 1.28 0.00 0.00 0.00 175.30 176.10