#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx s GLN 3 N 0.00 1.03 0.01 5.31 0.74 -1.26 -4.75 119.66 120.74 1pnx s GLN 3 Ca 0.00 -0.25 -0.02 0.00 0.05 0.00 0.00 55.36 55.14 1pnx s GLN 3 Cb 0.00 0.48 -0.01 0.00 1.10 0.00 0.00 33.01 34.58 1pnx s GLN 3 CO 0.00 -0.43 0.03 0.71 -0.55 0.00 0.00 175.29 175.05 1pnx s TYR 4 N -2.92 0.13 0.16 1.67 1.51 -0.64 -4.98 117.35 112.27 1pnx s TYR 4 Ca 0.00 -0.27 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 1pnx s TYR 4 Cb -0.01 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 1pnx s TYR 4 CO -0.07 -0.17 -0.15 -0.47 -1.11 0.00 0.00 175.55 173.58 1pnx s TYR 5 N -1.07 1.56 -0.29 2.71 6.04 -1.26 -1.42 117.35 123.62 1pnx s TYR 5 Ca -0.12 -0.57 -0.16 0.00 0.04 0.00 0.00 57.07 56.26 1pnx s TYR 5 Cb -0.07 -0.78 0.17 0.00 -1.04 0.00 0.00 41.96 40.24 1pnx s TYR 5 CO -0.00 0.24 1.08 0.20 -1.54 0.00 0.00 175.55 175.53 1pnx s GLY 6 N -2.84 0.24 0.00 8.97 0.00 -1.00 -2.94 107.32 109.74 1pnx s GLY 6 Ca 0.15 3.40 0.00 0.00 0.00 0.00 0.00 44.72 48.28 1pnx s GLY 6 CO 0.05 2.66 0.00 2.41 0.00 0.00 0.00 173.10 178.22 1pnx n THR 7 N 3.48 0.00 0.00 0.90 -1.04 -1.26 -1.49 114.28 114.87 1pnx n THR 7 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1pnx n THR 7 Cb 0.57 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1pnx n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pnx n GLY 8 N 3.96 1.77 3.13 3.41 0.00 -1.25 -3.00 105.19 113.21 1pnx n GLY 8 Ca 0.00 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 1pnx n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pnx s ARG 9 N -2.44 1.12 -0.17 1.61 0.52 -1.25 -1.34 118.95 117.00 1pnx s ARG 9 Ca 0.00 -0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 54.48 1pnx s ARG 9 Cb 0.00 -1.10 0.05 0.00 0.52 0.00 0.00 34.95 34.42 1pnx s ARG 9 CO 0.00 0.29 0.42 0.50 0.02 0.00 0.00 175.30 176.53 1pnx s ARG 10 N -0.63 0.43 -1.48 3.54 6.06 -0.78 -4.64 118.95 121.45 1pnx s ARG 10 Ca 0.05 0.74 -0.18 0.00 -2.50 0.00 0.00 55.73 53.84 1pnx s ARG 10 Cb -0.06 0.06 0.18 0.00 0.06 0.00 0.00 34.95 35.18 1pnx s ARG 10 CO 0.00 -0.13 0.44 1.17 -2.50 0.00 0.00 175.30 174.28 1pnx n LYS 11 N 3.85 -0.78 -1.90 5.12 4.81 -1.26 -0.98 118.16 127.01 1pnx n LYS 11 Ca -0.20 0.11 -0.01 0.00 -0.87 0.00 0.00 58.31 57.33 1pnx n LYS 11 Cb 0.56 -3.67 0.01 0.00 0.02 0.00 0.00 35.03 31.95 1pnx n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1pnx n GLU 12 N -3.35 -0.41 -3.79 1.64 2.13 -1.26 -4.87 120.64 110.73 1pnx n GLU 12 Ca 0.07 0.08 -0.13 0.00 0.66 0.00 0.00 57.16 57.84 1pnx n GLU 12 Cb 0.37 -2.37 -0.11 0.00 0.27 0.00 0.00 31.44 29.60 1pnx n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pnx s ALA 13 N -3.03 -0.61 -0.10 4.31 0.00 -0.15 -2.57 121.76 119.62 1pnx s ALA 13 Ca 0.02 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1pnx s ALA 13 Cb -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1pnx s ALA 13 CO 0.07 -0.13 -0.19 0.08 0.00 0.00 0.00 175.76 175.58 1pnx s VAL 14 N -0.06 1.70 -0.14 0.00 1.01 -1.16 -1.87 120.40 119.87 1pnx s VAL 14 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1pnx s VAL 14 Cb -0.02 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1pnx s VAL 14 CO 0.01 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.48 1pnx s ALA 15 N 0.60 1.64 -0.38 5.51 0.00 -0.45 -2.39 121.76 126.29 1pnx s ALA 15 Ca -0.14 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 1pnx s ALA 15 Cb -0.17 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.93 1pnx s ALA 15 CO 0.05 -0.49 0.85 1.03 0.00 0.00 0.00 175.76 177.20 1pnx s ARG 16 N 1.58 3.76 -0.26 0.00 0.52 0.20 -3.82 118.95 120.93 1pnx s ARG 16 Ca 0.04 0.39 -0.07 0.00 -0.52 0.00 0.00 55.73 55.57 1pnx s ARG 16 Cb -0.13 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.50 1pnx s ARG 16 CO -0.09 -0.92 0.06 0.08 0.02 0.00 0.00 175.30 174.44 1pnx s VAL 17 N 3.30 4.14 -0.32 3.52 1.01 -0.55 -1.75 120.40 129.75 1pnx s VAL 17 Ca 0.34 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1pnx s VAL 17 Cb -0.12 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.37 1pnx s VAL 17 CO 0.18 0.29 0.01 -0.36 0.00 0.00 0.00 175.10 175.23 1pnx s PHE 18 N 1.58 3.54 0.36 5.22 2.99 -0.32 -2.39 117.98 128.96 1pnx s PHE 18 Ca 0.06 -2.62 -0.12 0.00 0.00 0.00 0.00 56.93 54.25 1pnx s PHE 18 Cb -0.15 -2.56 -0.07 0.00 0.00 0.00 0.00 43.02 40.23 1pnx s PHE 18 CO 0.03 -0.92 0.74 -0.51 -0.00 0.00 0.00 175.22 174.56 1pnx s LEU 19 N 1.03 3.93 -0.29 -0.37 1.43 -0.50 -1.03 118.68 122.88 1pnx s LEU 19 Ca 0.03 1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 54.20 1pnx s LEU 19 Cb -0.20 -4.00 0.14 0.00 0.03 0.00 0.00 46.19 42.16 1pnx s LEU 19 CO -0.06 -0.31 0.61 -0.13 0.23 0.00 0.00 176.35 176.69 1pnx s ARG 20 N -3.50 0.55 -0.41 1.70 0.52 -0.18 -1.62 118.95 116.01 1pnx s ARG 20 Ca 0.52 1.32 -0.44 0.00 -0.52 0.00 0.00 55.73 56.61 1pnx s ARG 20 Cb -0.10 0.74 -0.18 0.00 0.52 0.00 0.00 34.95 35.93 1pnx s ARG 20 CO 0.26 -0.29 1.66 -2.30 0.02 0.00 0.00 175.30 174.66 1pnx n PRO 21 N 5.44 0.49 0.00 3.54 -0.02 -1.26 -2.09 135.00 141.10 1pnx n PRO 21 Ca -0.10 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1pnx n PRO 21 Cb 0.49 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1pnx n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pnx n GLY 22 N 4.08 1.88 0.19 -1.23 0.00 -1.01 -4.85 105.19 104.24 1pnx n GLY 22 Ca 0.29 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 1pnx n GLY 22 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1pnx h ASN 23 N 0.00 -0.36 0.00 1.61 -0.00 -1.81 -3.35 115.58 111.68 1pnx h ASN 23 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 1pnx h ASN 23 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1pnx h ASN 23 CO 0.00 -0.07 0.00 0.61 -0.00 0.00 0.00 177.43 177.97 1pnx n GLY 24 N 0.35 -0.59 3.91 1.57 0.00 0.27 -3.34 105.19 107.36 1pnx n GLY 24 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1pnx n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pnx s LYS 25 N 0.00 2.03 -0.07 1.61 -2.85 -1.26 -4.80 119.74 114.41 1pnx s LYS 25 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 55.97 54.93 1pnx s LYS 25 Cb 0.00 -2.02 0.04 0.00 -2.06 0.00 0.00 37.83 33.79 1pnx s LYS 25 CO 0.00 -1.48 0.13 0.08 0.10 0.00 0.00 175.35 174.18 1pnx s VAL 26 N -3.47 -0.14 -0.57 1.79 1.01 -1.26 -1.16 120.40 116.61 1pnx s VAL 26 Ca 0.61 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.78 1pnx s VAL 26 Cb -0.11 -0.24 0.15 0.00 0.00 0.00 0.00 36.38 36.18 1pnx s VAL 26 CO 0.48 0.11 0.44 -0.89 0.00 0.00 0.00 175.10 175.24 1pnx s THR 27 N 1.69 4.35 -0.52 3.92 2.01 -0.18 -0.72 115.64 126.20 1pnx s THR 27 Ca -0.03 -2.16 -0.22 0.00 0.31 0.00 0.00 61.69 59.60 1pnx s THR 27 Cb -0.12 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.61 1pnx s THR 27 CO -0.05 -0.84 0.77 -0.69 -0.69 0.00 0.00 174.62 173.11 1pnx s VAL 28 N 0.85 4.66 -1.86 3.82 1.01 -0.38 -1.26 120.40 127.23 1pnx s VAL 28 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1pnx s VAL 28 Cb -0.22 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.76 1pnx s VAL 28 CO -0.03 -0.92 0.00 0.59 0.00 0.00 0.00 175.10 174.74 1pnx n ASN 29 N 6.75 -5.47 0.00 3.32 4.13 0.65 -2.79 115.26 121.86 1pnx n ASN 29 Ca -0.02 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1pnx n ASN 29 Cb 0.47 -4.68 0.00 0.00 -1.54 0.00 0.00 39.78 34.03 1pnx n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pnx n GLY 30 N -0.73 2.16 3.42 7.41 0.00 -1.26 -5.05 105.19 111.14 1pnx n GLY 30 Ca -0.22 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1pnx n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pnx n GLN 31 N 0.00 -0.40 -1.70 1.61 6.02 -1.12 -4.81 117.38 116.98 1pnx n GLN 31 Ca 0.00 -0.08 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 1pnx n GLN 31 Cb 0.00 -1.88 0.05 0.00 1.02 0.00 0.00 30.24 29.42 1pnx n GLN 31 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1pnx s ASP 32 N -2.05 5.22 0.24 1.08 -1.08 -1.26 -1.26 116.67 117.56 1pnx s ASP 32 Ca 0.57 1.84 -0.08 0.00 -0.52 0.00 0.00 52.55 54.37 1pnx s ASP 32 Cb -0.21 -2.53 0.41 0.00 -1.46 0.00 0.00 42.92 39.13 1pnx s ASP 32 CO 0.67 -1.55 1.64 0.15 0.52 0.00 0.00 175.17 176.59 1pnx h PHE 33 N -0.24 -0.07 0.00 -5.34 3.57 -1.27 1.11 116.94 114.71 1pnx h PHE 33 Ca -0.46 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1pnx h PHE 33 Cb 1.23 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1pnx h PHE 33 CO 0.58 -0.23 0.00 0.09 -2.23 0.00 0.00 178.31 176.51 1pnx n ASN 34 N -5.34 0.00 -0.08 0.41 3.02 -1.26 -2.87 115.26 109.14 1pnx n ASN 34 Ca 0.13 -0.20 -0.16 0.00 -0.03 0.00 0.00 54.58 54.31 1pnx n ASN 34 Cb 0.45 -0.23 -0.14 0.00 -0.61 0.00 0.00 39.78 39.25 1pnx n ASN 34 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1pnx n GLU 35 N -1.23 0.68 0.00 3.52 4.07 0.37 -3.60 120.64 124.45 1pnx n GLU 35 Ca 0.13 0.16 -0.18 0.00 -0.06 0.00 0.00 57.16 57.21 1pnx n GLU 35 Cb 0.18 -1.60 -0.10 0.00 -0.06 0.00 0.00 31.44 29.87 1pnx n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1pnx h TYR 36 N 0.02 0.78 -1.36 4.31 3.20 -1.15 -3.24 116.97 119.52 1pnx h TYR 36 Ca -0.50 -0.40 -0.64 0.00 3.14 0.00 0.00 58.73 60.33 1pnx h TYR 36 Cb 2.02 -0.10 -0.24 0.00 1.54 0.00 0.00 36.73 39.96 1pnx h TYR 36 CO 0.03 1.21 0.80 1.19 -1.64 0.00 0.00 178.16 179.75 1pnx n PHE 37 N -4.11 2.58 -1.66 -3.82 0.99 -1.14 -4.96 117.46 105.34 1pnx n PHE 37 Ca -0.10 -2.38 -0.28 0.00 -0.00 0.00 0.00 57.45 54.69 1pnx n PHE 37 Cb 0.71 -1.27 -0.04 0.00 -1.00 0.00 0.00 39.48 37.88 1pnx n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1pnx s GLN 38 N -3.24 2.03 0.00 -1.08 -0.44 -1.22 -3.52 119.66 112.19 1pnx s GLN 38 Ca 0.54 0.86 0.00 0.00 -2.50 0.00 0.00 55.36 54.27 1pnx s GLN 38 Cb 0.42 -4.67 0.00 0.00 -1.64 0.00 0.00 33.01 27.13 1pnx s GLN 38 CO -0.22 -3.61 0.00 0.41 0.50 0.00 0.00 175.29 172.36 1pnx n GLY 39 N 6.31 -0.15 2.76 2.59 0.00 -1.26 -5.08 105.19 110.36 1pnx n GLY 39 Ca 0.38 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1pnx n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnx s LEU 40 N -1.88 -0.17 0.12 0.99 1.43 -1.23 -5.02 118.68 112.92 1pnx s LEU 40 Ca 0.00 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1pnx s LEU 40 Cb 0.00 0.55 0.07 0.00 0.03 0.00 0.00 46.19 46.84 1pnx s LEU 40 CO 0.00 -0.33 0.70 0.52 0.23 0.00 0.00 176.35 177.47 1pnx n VAL 41 N 4.82 0.28 -0.04 -1.59 0.31 -1.26 -0.87 118.33 119.97 1pnx n VAL 41 Ca 0.04 0.59 -0.16 0.00 -0.01 0.00 0.00 64.34 64.80 1pnx n VAL 41 Cb 0.46 -1.59 -0.14 0.00 -0.91 0.00 0.00 33.84 31.66 1pnx n VAL 41 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pnx n ARG 42 N -1.35 0.70 -0.11 5.55 5.12 -1.26 -4.57 116.66 120.74 1pnx n ARG 42 Ca -0.00 0.21 -0.00 0.00 -1.93 0.00 0.00 57.85 56.13 1pnx n ARG 42 Cb 0.49 -1.66 0.01 0.00 -1.16 0.00 0.00 32.46 30.14 1pnx n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pnx n ALA 43 N -2.93 -0.02 -0.63 7.54 0.00 -0.05 0.93 120.51 125.34 1pnx n ALA 43 Ca -0.32 0.28 0.49 0.00 0.00 0.00 0.00 53.44 53.89 1pnx n ALA 43 Cb 1.05 -0.13 0.75 0.00 0.00 0.00 0.00 19.45 21.12 1pnx n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pnx n VAL 44 N -4.41 0.00 0.28 0.00 0.31 -1.26 -1.51 118.33 111.74 1pnx n VAL 44 Ca 0.03 1.41 -0.17 0.00 -0.01 0.00 0.00 64.34 65.60 1pnx n VAL 44 Cb 0.11 -2.37 -0.09 0.00 -0.91 0.00 0.00 33.84 30.58 1pnx n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pnx h ALA 45 N 0.90 -1.01 -0.68 3.52 0.00 0.22 -3.21 119.26 119.00 1pnx h ALA 45 Ca 0.86 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.80 1pnx h ALA 45 Cb 3.56 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 21.86 1pnx h ALA 45 CO -0.01 -1.11 0.07 0.00 0.00 0.00 0.00 179.25 178.20 1pnx n ALA 46 N -2.75 0.40 1.76 0.00 0.00 -0.57 0.13 120.51 119.47 1pnx n ALA 46 Ca -0.11 0.72 0.15 0.00 0.00 0.00 0.00 53.44 54.20 1pnx n ALA 46 Cb 0.43 -0.56 0.74 0.00 0.00 0.00 0.00 19.45 20.06 1pnx n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pnx n LEU 47 N -4.85 0.72 -0.14 0.00 4.77 -1.21 -4.01 117.00 112.28 1pnx n LEU 47 Ca 0.18 -0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 1pnx n LEU 47 Cb 0.58 -0.00 0.46 0.00 -2.33 0.00 0.00 43.42 42.13 1pnx n LEU 47 CO -0.04 0.12 1.20 -0.08 -1.33 0.00 0.00 177.39 177.26 1pnx h GLU 48 N 1.12 0.48 0.00 3.23 4.57 0.92 0.46 114.58 125.36 1pnx h GLU 48 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1pnx h GLU 48 Cb 0.24 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1pnx h GLU 48 CO 0.00 0.32 0.00 -1.00 -1.18 0.00 0.00 179.01 177.15 1pnx h PRO 49 N 0.50 0.00 0.15 0.92 0.13 -1.77 -1.91 132.00 130.03 1pnx h PRO 49 Ca 0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.45 1pnx h PRO 49 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1pnx h PRO 49 CO -0.10 0.00 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.52 1pnx h LEU 50 N 0.00 -0.17 -1.35 1.56 3.38 -1.21 -3.15 115.31 114.36 1pnx h LEU 50 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pnx h LEU 50 Cb 0.25 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1pnx h LEU 50 CO 0.00 0.16 0.46 0.03 0.09 0.00 0.00 178.44 179.18 1pnx h ARG 51 N -0.77 0.00 -0.60 1.13 3.08 -1.44 0.38 114.38 116.17 1pnx h ARG 51 Ca -0.02 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1pnx h ARG 51 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1pnx h ARG 51 CO 0.03 0.00 0.32 0.00 -1.07 0.00 0.00 179.97 179.25 1pnx h ALA 52 N 1.02 0.79 -0.20 0.04 0.00 -1.30 -3.09 119.26 116.53 1pnx h ALA 52 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1pnx h ALA 52 Cb 0.92 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.48 1pnx h ALA 52 CO 0.00 -0.02 -0.63 1.33 0.00 0.00 0.00 179.25 179.93 1pnx n VAL 53 N -4.84 2.13 -3.66 0.00 0.24 0.13 -4.97 118.33 107.36 1pnx n VAL 53 Ca 0.07 -3.34 -0.23 0.00 -2.04 0.00 0.00 64.34 58.80 1pnx n VAL 53 Cb 0.16 -0.35 0.04 0.00 -1.47 0.00 0.00 33.84 32.22 1pnx n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1pnx n ASP 54 N -0.90 -2.40 0.00 -1.34 8.00 -0.97 -5.01 116.55 113.93 1pnx n ASP 54 Ca 0.24 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1pnx n ASP 54 Cb 0.79 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 1pnx n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pnx n ALA 55 N -4.15 0.00 -0.83 2.24 0.00 -0.97 -4.84 120.51 111.96 1pnx n ALA 55 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1pnx n ALA 55 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1pnx n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pnx n LEU 56 N 0.00 0.00 -3.42 0.00 0.00 -1.26 -4.13 117.00 108.19 1pnx n LEU 56 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 1pnx n LEU 56 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 1pnx n LEU 56 CO 0.00 0.00 2.30 0.61 0.00 0.00 0.00 177.39 180.30 1pnx n GLY 57 N 0.00 3.00 0.00 -3.96 0.00 -1.26 -0.71 105.19 102.26 1pnx n GLY 57 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1pnx n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pnx n ARG 58 N 5.60 0.00 0.00 1.61 0.00 -1.21 -5.00 116.66 117.66 1pnx n ARG 58 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.33 1pnx n ARG 58 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.74 1pnx n ARG 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1pnx n PHE 59 N -0.05 0.00 -3.61 -0.14 3.01 0.11 -2.42 117.46 114.36 1pnx n PHE 59 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 1pnx n PHE 59 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1pnx n PHE 59 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1pnx s ASP 60 N 0.12 -0.14 -0.10 4.37 -1.08 -0.89 -0.57 116.67 118.39 1pnx s ASP 60 Ca 0.00 0.10 -0.05 0.00 -0.52 0.00 0.00 52.55 52.08 1pnx s ASP 60 Cb 0.00 0.12 0.05 0.00 -1.46 0.00 0.00 42.92 41.63 1pnx s ASP 60 CO 0.00 -0.16 0.23 0.00 0.52 0.00 0.00 175.17 175.75 1pnx s ALA 61 N -1.56 -0.48 -0.19 3.66 0.00 -0.31 -1.01 121.76 121.88 1pnx s ALA 61 Ca 0.07 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 52.86 1pnx s ALA 61 Cb -0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1pnx s ALA 61 CO -0.05 -0.31 0.06 -0.47 0.00 0.00 0.00 175.76 175.00 1pnx s TYR 62 N 1.55 3.24 -0.03 0.00 5.04 -0.20 -1.01 117.35 125.94 1pnx s TYR 62 Ca -0.06 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.61 1pnx s TYR 62 Cb -0.11 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.14 1pnx s TYR 62 CO -0.08 0.12 -0.02 0.42 -1.34 0.00 0.00 175.55 174.66 1pnx s ILE 63 N 0.43 0.31 -0.16 3.14 1.01 -0.39 -1.18 121.20 124.36 1pnx s ILE 63 Ca 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 1pnx s ILE 63 Cb -0.13 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1pnx s ILE 63 CO 0.01 0.17 0.03 -0.89 0.00 0.00 0.00 174.94 174.25 1pnx s THR 64 N 0.91 4.50 -0.05 2.92 2.01 -0.71 -0.25 115.64 124.96 1pnx s THR 64 Ca -0.10 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1pnx s THR 64 Cb -0.13 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.41 1pnx s THR 64 CO -0.01 0.49 0.03 0.54 -0.69 0.00 0.00 174.62 174.97 1pnx s VAL 65 N 0.23 0.13 -0.07 3.82 0.11 -1.26 0.60 120.40 123.96 1pnx s VAL 65 Ca 0.02 0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 59.29 1pnx s VAL 65 Cb -0.13 -0.32 0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1pnx s VAL 65 CO 0.01 0.21 0.17 -0.60 -3.33 0.00 0.00 175.10 171.55 1pnx s ARG 66 N 1.91 0.11 0.00 1.54 3.52 -1.00 -4.96 118.95 120.06 1pnx s ARG 66 Ca 0.03 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1pnx s ARG 66 Cb -0.12 -0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.10 1pnx s ARG 66 CO -0.04 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 1pnx n GLY 67 N 4.24 3.42 4.65 8.12 0.00 -1.26 -2.98 105.19 121.38 1pnx n GLY 67 Ca -0.26 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1pnx n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pnx n GLY 68 N 0.58 1.11 3.07 -0.02 0.00 -1.06 -4.19 105.19 104.69 1pnx n GLY 68 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1pnx n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pnx s GLY 69 N 0.00 0.31 0.06 -0.02 0.00 -1.26 -5.02 107.32 101.39 1pnx s GLY 69 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.92 1pnx s GLY 69 CO 0.00 -0.94 0.90 0.28 0.00 0.00 0.00 173.10 173.34 1pnx n LYS 70 N 0.68 0.02 -0.03 2.90 5.02 -1.26 -0.01 118.16 125.48 1pnx n LYS 70 Ca -0.18 0.36 -0.21 0.00 -2.02 0.00 0.00 58.31 56.25 1pnx n LYS 70 Cb 0.59 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 33.70 1pnx n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pnx h SER 71 N 0.00 0.27 -0.26 4.39 0.87 -1.97 -2.91 113.55 113.93 1pnx h SER 71 Ca 0.00 -0.78 -0.08 0.00 -1.23 0.00 0.00 61.79 59.70 1pnx h SER 71 Cb 0.42 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1pnx h SER 71 CO 0.00 1.65 -0.11 1.23 -0.53 0.00 0.00 176.83 179.08 1pnx h GLY 72 N 0.06 0.71 1.02 5.77 0.00 -0.76 -2.17 103.07 107.69 1pnx h GLY 72 Ca -0.35 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.41 1pnx h GLY 72 CO -0.02 0.47 0.17 1.46 0.00 0.00 0.00 176.54 178.63 1pnx h GLN 73 N 0.60 0.97 -0.20 4.80 4.20 -1.10 -0.64 115.11 123.74 1pnx h GLN 73 Ca 0.11 -0.22 0.06 0.00 0.06 0.00 0.00 58.65 58.66 1pnx h GLN 73 Cb 0.54 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1pnx h GLN 73 CO 0.03 0.87 0.18 0.82 -0.67 0.00 0.00 178.83 180.06 1pnx h ILE 74 N 0.89 0.63 0.00 2.54 2.04 -1.19 0.15 117.51 122.57 1pnx h ILE 74 Ca 0.20 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.78 1pnx h ILE 74 Cb 0.32 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1pnx h ILE 74 CO -0.00 0.00 -1.66 0.44 0.00 0.00 0.00 178.15 176.93 1pnx h ASP 75 N 0.00 0.00 -0.01 1.72 3.32 -1.13 -2.77 116.42 117.55 1pnx h ASP 75 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1pnx h ASP 75 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1pnx h ASP 75 CO -0.00 0.97 -0.01 0.00 -1.72 0.00 0.00 179.24 178.48 1pnx h ALA 76 N 1.03 0.02 -0.98 3.45 0.00 0.00 -1.45 119.26 121.34 1pnx h ALA 76 Ca -0.27 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1pnx h ALA 76 Cb 1.97 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 1pnx h ALA 76 CO 0.08 -0.28 0.63 0.82 0.00 0.00 0.00 179.25 180.51 1pnx h ILE 77 N -0.35 1.14 -0.54 0.00 2.04 -0.91 0.47 117.51 119.35 1pnx h ILE 77 Ca 0.00 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1pnx h ILE 77 Cb 0.40 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1pnx h ILE 77 CO 0.00 0.22 0.22 0.50 0.00 0.00 0.00 178.15 179.10 1pnx h LYS 78 N 1.20 0.78 0.01 2.37 3.11 -1.29 -0.46 116.57 122.29 1pnx h LYS 78 Ca 0.40 -0.11 -0.25 0.00 -2.81 0.00 0.00 60.65 57.88 1pnx h LYS 78 Cb 0.05 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.15 1pnx h LYS 78 CO -0.14 0.64 -1.00 1.25 -2.81 0.00 0.00 179.45 177.39 1pnx h LEU 79 N 0.78 0.71 0.69 5.20 7.12 -0.02 -2.71 115.31 127.07 1pnx h LEU 79 Ca 0.19 -0.57 -0.03 0.00 0.13 0.00 0.00 57.88 57.60 1pnx h LEU 79 Cb 0.14 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.05 1pnx h LEU 79 CO -0.02 1.37 -0.47 1.23 -0.13 0.00 0.00 178.44 180.42 1pnx h GLY 80 N 0.86 -1.25 1.33 3.75 0.00 0.46 0.16 103.07 108.36 1pnx h GLY 80 Ca -0.11 0.53 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1pnx h GLY 80 CO 0.18 -0.42 0.31 -2.22 0.00 0.00 0.00 176.54 174.40 1pnx h ILE 81 N -1.10 0.12 0.19 2.60 2.04 -1.18 0.78 117.51 120.95 1pnx h ILE 81 Ca -0.09 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.47 1pnx h ILE 81 Cb 0.91 0.71 0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1pnx h ILE 81 CO 0.06 0.00 -1.43 0.00 0.00 0.00 0.00 178.15 176.78 1pnx h ALA 82 N 1.48 0.00 0.48 1.87 0.00 -0.88 -3.05 119.26 119.15 1pnx h ALA 82 Ca 0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 1pnx h ALA 82 Cb 0.66 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1pnx h ALA 82 CO -0.00 0.75 -0.23 0.00 0.00 0.00 0.00 179.25 179.77 1pnx h ARG 83 N -0.04 -0.62 -0.92 0.00 3.08 0.14 -3.25 114.38 112.76 1pnx h ARG 83 Ca -0.27 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.06 1pnx h ARG 83 Cb 1.98 0.14 -0.13 0.00 0.08 0.00 0.00 29.97 32.05 1pnx h ARG 83 CO 0.19 -0.41 0.43 0.00 -1.07 0.00 0.00 179.97 179.11 1pnx h ALA 84 N -1.15 1.53 0.00 0.04 0.00 -0.83 1.02 119.26 119.87 1pnx h ALA 84 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pnx h ALA 84 Cb 0.50 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1pnx h ALA 84 CO 0.11 -0.37 0.00 -0.11 0.00 0.00 0.00 179.25 178.88 1pnx n LEU 85 N -5.04 0.00 -0.11 0.00 7.94 -1.15 -1.95 117.00 116.69 1pnx n LEU 85 Ca 0.24 0.29 -0.14 0.00 -1.11 0.00 0.00 56.01 55.29 1pnx n LEU 85 Cb 0.71 -0.29 -0.11 0.00 0.53 0.00 0.00 43.42 44.26 1pnx n LEU 85 CO 0.12 -0.28 -1.20 0.52 -1.11 0.00 0.00 177.39 175.45 1pnx n VAL 86 N -1.29 1.28 -0.14 1.96 0.31 0.35 -3.70 118.33 117.11 1pnx n VAL 86 Ca 0.01 -0.57 0.04 0.00 -0.01 0.00 0.00 64.34 63.81 1pnx n VAL 86 Cb 0.01 -1.09 0.34 0.00 -0.91 0.00 0.00 33.84 32.20 1pnx n VAL 86 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1pnx h GLN 87 N 0.00 0.75 0.00 5.55 4.20 -1.23 -1.22 115.11 123.15 1pnx h GLN 87 Ca -0.50 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.16 1pnx h GLN 87 Cb 1.87 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.48 1pnx h GLN 87 CO -0.05 0.49 0.00 0.98 -0.67 0.00 0.00 178.83 179.58 1pnx n TYR 88 N -4.46 0.00 -3.53 2.96 9.36 -1.08 -4.55 117.16 115.86 1pnx n TYR 88 Ca 0.08 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.88 1pnx n TYR 88 Cb 0.12 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.73 1pnx n TYR 88 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1pnx s ASN 89 N -1.97 5.90 0.00 2.98 2.47 -1.19 -4.92 114.94 118.21 1pnx s ASN 89 Ca 0.00 -1.02 0.10 0.00 0.42 0.00 0.00 52.86 52.37 1pnx s ASN 89 Cb 0.00 -2.08 0.47 0.00 -1.45 0.00 0.00 41.25 38.19 1pnx s ASN 89 CO 0.00 -0.44 1.27 -0.81 -3.72 0.00 0.00 177.10 173.40 1pnx n PRO 90 N 5.07 0.08 0.02 0.43 -0.04 -0.47 -2.29 135.00 137.80 1pnx n PRO 90 Ca -0.11 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.74 1pnx n PRO 90 Cb 0.46 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.00 1pnx n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pnx n ASP 91 N -1.39 0.13 0.21 3.54 9.92 -1.26 -3.68 116.55 124.02 1pnx n ASP 91 Ca 0.04 0.51 0.06 0.00 -0.53 0.00 0.00 54.79 54.86 1pnx n ASP 91 Cb 0.10 -0.55 0.47 0.00 -0.64 0.00 0.00 41.12 40.50 1pnx n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1pnx h TYR 92 N 0.00 0.00 -0.75 1.24 0.99 -1.76 -3.21 116.97 113.48 1pnx h TYR 92 Ca 0.00 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.86 1pnx h TYR 92 Cb 0.53 0.00 -0.14 0.00 1.00 0.00 0.00 36.73 38.12 1pnx h TYR 92 CO 0.00 0.28 -0.30 0.00 -0.00 0.00 0.00 178.16 178.13 1pnx h ARG 93 N 0.00 -0.07 -1.68 4.88 3.08 -1.82 0.34 114.38 119.10 1pnx h ARG 93 Ca -0.00 0.00 0.53 0.00 0.07 0.00 0.00 59.98 60.58 1pnx h ARG 93 Cb 0.54 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.49 1pnx h ARG 93 CO 0.04 -0.05 1.16 0.00 -1.07 0.00 0.00 179.97 180.04 1pnx h ALA 94 N 1.33 3.36 0.00 0.04 0.00 -1.85 0.11 119.26 122.25 1pnx h ALA 94 Ca 0.31 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1pnx h ALA 94 Cb 0.57 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1pnx h ALA 94 CO -0.79 -1.99 -1.30 1.63 0.00 0.00 0.00 179.25 176.80 1pnx n LYS 95 N -4.34 2.24 0.06 0.00 4.76 -0.25 -4.54 118.16 116.08 1pnx n LYS 95 Ca 0.43 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.75 1pnx n LYS 95 Cb 1.80 -1.12 0.03 0.00 -1.84 0.00 0.00 35.03 33.89 1pnx n LYS 95 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1pnx h LEU 96 N 0.00 0.46 -0.01 -0.35 5.85 0.58 -3.35 115.31 118.49 1pnx h LEU 96 Ca -0.09 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1pnx h LEU 96 Cb 0.95 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1pnx h LEU 96 CO 0.00 1.05 -0.07 0.11 -0.34 0.00 0.00 178.44 179.19 1pnx h LYS 97 N 0.25 0.06 -0.12 1.25 1.57 -1.04 -3.20 116.57 115.34 1pnx h LYS 97 Ca -0.03 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1pnx h LYS 97 Cb 1.33 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 1pnx h LYS 97 CO 0.13 0.76 0.64 -1.35 -0.57 0.00 0.00 179.45 179.06 1pnx h PRO 98 N -0.61 0.00 0.00 3.15 0.11 -1.75 3.01 132.00 135.91 1pnx h PRO 98 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1pnx h PRO 98 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1pnx h PRO 98 CO 0.01 0.00 -0.53 -0.07 -0.21 0.00 0.00 178.00 177.20 1pnx h LEU 99 N 0.00 0.00 0.00 2.35 -0.00 -1.71 -3.48 115.31 112.47 1pnx h LEU 99 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1pnx h LEU 99 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 1pnx h LEU 99 CO -0.00 0.07 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 1pnx n GLY 100 N 1.16 0.71 0.28 0.83 0.00 1.00 -4.95 105.19 104.23 1pnx n GLY 100 Ca 0.01 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1pnx n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1pnx h PHE 101 N 0.00 0.00 -0.44 1.61 -1.00 -1.70 -2.64 116.94 112.77 1pnx h PHE 101 Ca 0.00 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 1pnx h PHE 101 Cb 0.00 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 39.47 1pnx h PHE 101 CO 0.00 0.08 0.18 1.28 -1.61 0.00 0.00 178.31 178.24 1pnx n LEU 102 N -3.49 4.38 -4.73 1.54 4.77 -1.26 -4.67 117.00 113.53 1pnx n LEU 102 Ca -0.02 -2.27 -0.25 0.00 -0.03 0.00 0.00 56.01 53.45 1pnx n LEU 102 Cb 0.21 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 1pnx n LEU 102 CO 0.28 0.63 -0.26 -0.89 -1.33 0.00 0.00 177.39 175.82 1pnx s THR 103 N -1.92 4.06 -0.61 -5.08 2.01 -1.00 -5.08 115.64 108.01 1pnx s THR 103 Ca 0.31 -1.39 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 1pnx s THR 103 Cb 0.25 -3.10 0.16 0.00 0.01 0.00 0.00 72.50 69.82 1pnx s THR 103 CO 0.08 -0.20 0.41 -0.60 -0.69 0.00 0.00 174.62 173.62 1pnx s ARG 104 N -3.28 2.43 -0.53 4.92 3.00 -1.26 -4.98 118.95 119.24 1pnx s ARG 104 Ca 0.30 -2.65 -0.39 0.00 -1.00 0.00 0.00 55.73 51.99 1pnx s ARG 104 Cb -0.09 -3.61 -0.18 0.00 0.00 0.00 0.00 34.95 31.08 1pnx s ARG 104 CO 0.21 -1.16 2.06 -3.47 0.00 0.00 0.00 175.30 172.94 1pnx n ASP 105 N 3.22 0.63 -0.51 -2.12 -0.08 -1.26 -4.77 116.55 111.67 1pnx n ASP 105 Ca 0.08 0.56 0.04 0.00 -1.51 0.00 0.00 54.79 53.97 1pnx n ASP 105 Cb 0.36 -0.84 0.12 0.00 2.34 0.00 0.00 41.12 43.10 1pnx n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pnx n ALA 106 N 7.37 2.48 -2.23 -1.67 0.00 -1.26 -4.29 120.51 120.90 1pnx n ALA 106 Ca 0.53 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1pnx n ALA 106 Cb -0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 1pnx n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pnx s ARG 107 N -1.65 3.76 0.27 0.00 0.52 -1.26 -4.99 118.95 115.61 1pnx s ARG 107 Ca 0.18 1.41 0.06 0.00 -0.52 0.00 0.00 55.73 56.86 1pnx s ARG 107 Cb 0.09 -4.00 -0.06 0.00 0.52 0.00 0.00 34.95 31.51 1pnx s ARG 107 CO 0.12 -1.33 -0.06 0.08 0.02 0.00 0.00 175.30 174.13 1pnx s VAL 108 N 5.13 1.61 0.49 3.52 1.01 -1.26 -4.33 120.40 126.57 1pnx s VAL 108 Ca 0.66 -2.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.28 1pnx s VAL 108 Cb -0.20 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 1pnx s VAL 108 CO 0.28 -0.31 1.26 0.52 0.00 0.00 0.00 175.10 176.85 1pnx n VAL 109 N -0.57 3.12 -3.44 2.92 0.31 -1.26 -4.96 118.33 114.46 1pnx n VAL 109 Ca -0.05 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.40 1pnx n VAL 109 Cb 0.63 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 31.96 1pnx n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1pnx s GLU 110 N -2.50 4.14 0.53 5.55 2.12 -1.26 -5.04 118.70 122.24 1pnx s GLU 110 Ca 0.66 0.37 -0.19 0.00 0.36 0.00 0.00 54.97 56.17 1pnx s GLU 110 Cb -0.46 -3.34 -0.09 0.00 0.26 0.00 0.00 34.13 30.49 1pnx s GLU 110 CO 0.54 0.41 0.60 -2.13 -0.54 0.00 0.00 175.26 174.13 1pnx n ARG 111 N 2.83 0.62 -3.02 4.30 0.00 -1.26 -4.88 116.66 115.25 1pnx n ARG 111 Ca -0.11 0.24 -0.44 0.00 -0.00 0.00 0.00 57.85 57.54 1pnx n ARG 111 Cb 0.52 -1.73 -0.04 0.00 0.00 0.00 0.00 32.46 31.21 1pnx n ARG 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1pnx s LYS 112 N -2.03 3.07 0.54 -0.14 2.36 -1.26 -4.37 119.74 117.92 1pnx s LYS 112 Ca 0.68 -1.12 -0.18 0.00 -2.55 0.00 0.00 55.97 52.80 1pnx s LYS 112 Cb -0.48 -4.24 -0.06 0.00 -1.05 0.00 0.00 37.83 31.99 1pnx s LYS 112 CO 0.55 -1.63 1.06 0.15 1.55 0.00 0.00 175.35 177.03 1pnx s LYS 113 N 3.20 3.53 0.87 4.03 3.01 -1.26 -4.80 119.74 128.32 1pnx s LYS 113 Ca 0.16 1.34 -0.12 0.00 -1.01 0.00 0.00 55.97 56.34 1pnx s LYS 113 Cb -0.21 -2.05 0.12 0.00 -1.01 0.00 0.00 37.83 34.67 1pnx s LYS 113 CO 0.08 -0.66 1.12 1.52 0.51 0.00 0.00 175.35 177.92 1pnx s TYR 114 N -2.14 2.61 0.00 3.18 -0.85 -1.26 -3.39 117.35 115.51 1pnx s TYR 114 Ca 0.67 0.96 0.00 0.00 -0.52 0.00 0.00 57.07 58.18 1pnx s TYR 114 Cb -0.17 -3.29 0.00 0.00 0.38 0.00 0.00 41.96 38.87 1pnx s TYR 114 CO 0.28 -2.18 0.00 0.41 -1.52 0.00 0.00 175.55 172.54 1pnx n GLY 115 N -2.13 2.44 3.56 5.49 0.00 -1.26 -4.93 105.19 108.36 1pnx n GLY 115 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1pnx n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnx s LYS 116 N 0.00 2.03 0.30 1.61 1.02 -1.22 -4.58 119.74 118.90 1pnx s LYS 116 Ca 0.00 -1.32 0.13 0.00 0.02 0.00 0.00 55.97 54.80 1pnx s LYS 116 Cb 0.00 -2.12 0.43 0.00 -0.52 0.00 0.00 37.83 35.61 1pnx s LYS 116 CO 0.00 0.42 1.63 0.45 -0.92 0.00 0.00 175.35 176.94 1pnx h HIS 117 N 2.81 0.00 -0.10 3.18 3.86 -0.98 -3.41 115.15 120.51 1pnx h HIS 117 Ca -0.46 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.57 1pnx h HIS 117 Cb 1.21 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.46 1pnx h HIS 117 CO 0.66 0.56 -0.54 1.63 0.86 0.00 0.00 177.93 181.10 1pnx n LYS 118 N -3.71 1.15 0.00 2.45 5.02 -1.18 -4.96 118.16 116.92 1pnx n LYS 118 Ca -0.01 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 1pnx n LYS 118 Cb 0.60 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1pnx n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pnx n ALA 119 N -0.94 0.00 0.06 7.82 0.00 -1.26 -4.36 120.51 121.83 1pnx n ALA 119 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1pnx n ALA 119 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1pnx n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pnx n ARG 120 N 0.00 0.00 -1.41 0.00 1.74 -1.26 -4.59 116.66 111.14 1pnx n ARG 120 Ca 0.00 0.00 -0.48 0.00 -0.77 0.00 0.00 57.85 56.60 1pnx n ARG 120 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 1pnx n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1pnx n ARG 121 N -2.85 0.17 -3.45 5.56 0.00 -1.26 -4.78 116.66 110.05 1pnx n ARG 121 Ca 0.00 0.03 -0.36 0.00 -0.00 0.00 0.00 57.85 57.51 1pnx n ARG 121 Cb 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 32.46 30.69 1pnx n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pnx s ALA 122 N 8.01 3.66 0.74 5.13 0.00 -1.26 -0.37 121.76 137.67 1pnx s ALA 122 Ca 1.26 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 1pnx s ALA 122 Cb -1.24 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 19.50 1pnx s ALA 122 CO 0.53 0.49 1.16 -0.35 0.00 0.00 0.00 175.76 177.59 1pnx n PRO 123 N 1.27 0.53 -3.95 0.00 -0.04 -1.26 -4.88 135.00 126.67 1pnx n PRO 123 Ca -0.09 0.24 -0.28 0.00 -0.04 0.00 0.00 63.50 63.33 1pnx n PRO 123 Cb 0.52 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 1pnx n PRO 123 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1pnx s GLN 124 N -3.69 3.39 0.38 0.54 -2.07 -1.26 -5.09 119.66 111.85 1pnx s GLN 124 Ca 0.76 -0.57 0.08 0.00 -1.82 0.00 0.00 55.36 53.80 1pnx s GLN 124 Cb -0.33 -2.96 -0.07 0.00 -1.09 0.00 0.00 33.01 28.56 1pnx s GLN 124 CO 0.48 0.55 -0.02 1.52 -1.32 0.00 0.00 175.29 176.49 1pnx s TYR 125 N -1.66 2.44 0.00 9.60 -0.85 -1.26 -5.15 117.35 120.47 1pnx s TYR 125 Ca 0.34 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 1pnx s TYR 125 Cb -0.12 -1.61 0.00 0.00 0.38 0.00 0.00 41.96 40.61 1pnx s TYR 125 CO 0.28 0.47 0.00 -1.13 -1.52 0.00 0.00 175.55 173.65 1pnx n SER 126 N -0.89 0.00 -2.80 -0.18 3.41 -1.26 -4.84 113.62 107.07 1pnx n SER 126 Ca -0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.41 1pnx n SER 126 Cb 0.66 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.56 1pnx n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pnx n LYS 127 N 0.00 1.65 0.00 4.33 4.01 -1.26 -5.37 118.16 121.53 1pnx n LYS 127 Ca 0.00 -1.08 0.00 0.00 -0.51 0.00 0.00 58.31 56.72 1pnx n LYS 127 Cb 0.00 -2.17 0.00 0.00 -0.51 0.00 0.00 35.03 32.35 1pnx n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16