#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pns s GLN 3 N 0.00 1.04 0.01 5.31 0.74 -1.26 -4.75 119.66 120.74 1pns s GLN 3 Ca 0.00 -0.25 -0.02 0.00 0.05 0.00 0.00 55.36 55.13 1pns s GLN 3 Cb 0.00 0.48 -0.01 0.00 1.10 0.00 0.00 33.01 34.58 1pns s GLN 3 CO 0.00 -0.43 0.03 0.71 -0.55 0.00 0.00 175.29 175.06 1pns s TYR 4 N -2.94 0.12 0.16 1.67 1.51 -0.64 -4.98 117.35 112.25 1pns s TYR 4 Ca 0.00 -0.26 0.07 0.00 -1.01 0.00 0.00 57.07 55.87 1pns s TYR 4 Cb -0.01 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 1pns s TYR 4 CO -0.07 -0.17 -0.15 -0.47 -1.11 0.00 0.00 175.55 173.58 1pns s TYR 5 N -1.05 1.57 -0.29 2.71 6.04 -1.26 -1.41 117.35 123.66 1pns s TYR 5 Ca -0.11 -0.57 -0.16 0.00 0.04 0.00 0.00 57.07 56.27 1pns s TYR 5 Cb -0.07 -0.78 0.17 0.00 -1.04 0.00 0.00 41.96 40.24 1pns s TYR 5 CO -0.00 0.24 1.08 0.20 -1.54 0.00 0.00 175.55 175.54 1pns s GLY 6 N -2.86 0.25 0.00 8.97 0.00 -1.01 -2.94 107.32 109.73 1pns s GLY 6 Ca 0.16 3.41 0.00 0.00 0.00 0.00 0.00 44.72 48.29 1pns s GLY 6 CO 0.05 2.66 0.00 2.41 0.00 0.00 0.00 173.10 178.22 1pns n THR 7 N 3.47 0.00 0.00 0.90 -1.04 -1.26 -1.48 114.28 114.86 1pns n THR 7 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1pns n THR 7 Cb 0.57 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1pns n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pns n GLY 8 N 3.97 1.76 3.13 3.41 0.00 -1.25 -3.00 105.19 113.22 1pns n GLY 8 Ca 0.00 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 1pns n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pns s ARG 9 N -2.43 1.13 -0.17 1.61 0.52 -1.25 -1.34 118.95 117.02 1pns s ARG 9 Ca 0.00 -0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 54.48 1pns s ARG 9 Cb 0.00 -1.11 0.05 0.00 0.52 0.00 0.00 34.95 34.41 1pns s ARG 9 CO 0.00 0.30 0.42 0.50 0.02 0.00 0.00 175.30 176.53 1pns s ARG 10 N -0.63 0.43 -1.46 3.54 6.06 -0.79 -4.64 118.95 121.46 1pns s ARG 10 Ca 0.05 0.74 -0.17 0.00 -2.50 0.00 0.00 55.73 53.84 1pns s ARG 10 Cb -0.06 0.06 0.17 0.00 0.06 0.00 0.00 34.95 35.18 1pns s ARG 10 CO 0.00 -0.13 0.43 1.17 -2.50 0.00 0.00 175.30 174.28 1pns n LYS 11 N 3.84 -0.79 -1.91 5.12 4.81 -1.26 -0.97 118.16 127.01 1pns n LYS 11 Ca -0.20 0.11 -0.01 0.00 -0.87 0.00 0.00 58.31 57.33 1pns n LYS 11 Cb 0.56 -3.63 0.01 0.00 0.02 0.00 0.00 35.03 31.98 1pns n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1pns n GLU 12 N -3.33 -0.40 -3.79 1.64 2.13 -1.26 -4.87 120.64 110.76 1pns n GLU 12 Ca 0.07 0.07 -0.13 0.00 0.66 0.00 0.00 57.16 57.84 1pns n GLU 12 Cb 0.37 -2.37 -0.11 0.00 0.27 0.00 0.00 31.44 29.60 1pns n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pns s ALA 13 N -3.03 -0.60 -0.10 4.31 0.00 -0.14 -2.57 121.76 119.63 1pns s ALA 13 Ca 0.02 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1pns s ALA 13 Cb -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1pns s ALA 13 CO 0.06 -0.13 -0.19 0.08 0.00 0.00 0.00 175.76 175.58 1pns s VAL 14 N -0.08 1.69 -0.14 0.00 1.01 -1.16 -1.88 120.40 119.85 1pns s VAL 14 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1pns s VAL 14 Cb -0.02 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1pns s VAL 14 CO 0.01 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.48 1pns s ALA 15 N 0.60 1.65 -0.38 5.51 0.00 -0.45 -2.39 121.76 126.30 1pns s ALA 15 Ca -0.14 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 1pns s ALA 15 Cb -0.17 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.93 1pns s ALA 15 CO 0.05 -0.49 0.85 1.03 0.00 0.00 0.00 175.76 177.19 1pns s ARG 16 N 1.57 3.76 -0.26 0.00 0.52 0.20 -3.82 118.95 120.92 1pns s ARG 16 Ca 0.04 0.39 -0.07 0.00 -0.52 0.00 0.00 55.73 55.57 1pns s ARG 16 Cb -0.13 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.50 1pns s ARG 16 CO -0.09 -0.92 0.06 0.08 0.02 0.00 0.00 175.30 174.44 1pns s VAL 17 N 3.30 4.14 -0.32 3.52 1.01 -0.55 -1.74 120.40 129.76 1pns s VAL 17 Ca 0.34 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1pns s VAL 17 Cb -0.12 -2.98 0.08 0.00 0.00 0.00 0.00 36.38 33.36 1pns s VAL 17 CO 0.18 0.29 0.01 -0.36 0.00 0.00 0.00 175.10 175.22 1pns s PHE 18 N 1.58 3.54 0.36 5.22 2.99 -0.32 -2.39 117.98 128.96 1pns s PHE 18 Ca 0.06 -2.62 -0.12 0.00 0.00 0.00 0.00 56.93 54.25 1pns s PHE 18 Cb -0.15 -2.57 -0.07 0.00 0.00 0.00 0.00 43.02 40.22 1pns s PHE 18 CO 0.03 -0.92 0.74 -0.51 -0.00 0.00 0.00 175.22 174.56 1pns s LEU 19 N 1.02 3.94 -0.29 -0.37 1.43 -0.50 -1.03 118.68 122.88 1pns s LEU 19 Ca 0.03 1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 54.20 1pns s LEU 19 Cb -0.20 -3.99 0.14 0.00 0.03 0.00 0.00 46.19 42.16 1pns s LEU 19 CO -0.06 -0.31 0.61 -0.13 0.23 0.00 0.00 176.35 176.69 1pns s ARG 20 N -3.50 0.55 -0.40 1.70 0.52 -0.18 -1.62 118.95 116.02 1pns s ARG 20 Ca 0.52 1.32 -0.44 0.00 -0.52 0.00 0.00 55.73 56.61 1pns s ARG 20 Cb -0.10 0.74 -0.18 0.00 0.52 0.00 0.00 34.95 35.92 1pns s ARG 20 CO 0.26 -0.28 1.66 -2.30 0.02 0.00 0.00 175.30 174.66 1pns n PRO 21 N 5.44 0.50 0.00 3.54 -0.02 -1.26 -2.09 135.00 141.11 1pns n PRO 21 Ca -0.10 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1pns n PRO 21 Cb 0.49 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1pns n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pns n GLY 22 N 4.08 1.87 0.19 -1.23 0.00 -1.01 -4.85 105.19 104.22 1pns n GLY 22 Ca 0.29 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 1pns n GLY 22 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1pns h ASN 23 N 0.00 -0.36 0.00 1.61 -0.00 -1.81 -3.35 115.58 111.68 1pns h ASN 23 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 1pns h ASN 23 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1pns h ASN 23 CO 0.00 -0.07 0.00 0.61 -0.00 0.00 0.00 177.43 177.97 1pns n GLY 24 N 0.34 -0.59 3.91 1.57 0.00 0.25 -3.34 105.19 107.33 1pns n GLY 24 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1pns n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pns s LYS 25 N 0.00 2.05 -0.07 1.61 -2.85 -1.26 -4.80 119.74 114.42 1pns s LYS 25 Ca 0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 55.97 54.94 1pns s LYS 25 Cb 0.00 -2.02 0.04 0.00 -2.06 0.00 0.00 37.83 33.79 1pns s LYS 25 CO 0.00 -1.48 0.13 0.08 0.10 0.00 0.00 175.35 174.19 1pns s VAL 26 N -3.47 -0.14 -0.57 1.79 1.01 -1.26 -1.15 120.40 116.61 1pns s VAL 26 Ca 0.61 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.78 1pns s VAL 26 Cb -0.11 -0.24 0.15 0.00 0.00 0.00 0.00 36.38 36.18 1pns s VAL 26 CO 0.48 0.11 0.44 -0.89 0.00 0.00 0.00 175.10 175.24 1pns s THR 27 N 1.68 4.35 -0.52 3.92 2.01 -0.18 -0.72 115.64 126.19 1pns s THR 27 Ca -0.03 -2.16 -0.22 0.00 0.31 0.00 0.00 61.69 59.59 1pns s THR 27 Cb -0.12 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.61 1pns s THR 27 CO -0.05 -0.84 0.77 -0.69 -0.69 0.00 0.00 174.62 173.11 1pns s VAL 28 N 0.85 4.65 -1.87 3.82 1.01 -0.39 -1.26 120.40 127.22 1pns s VAL 28 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1pns s VAL 28 Cb -0.22 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.76 1pns s VAL 28 CO -0.03 -0.92 0.00 0.59 0.00 0.00 0.00 175.10 174.74 1pns n ASN 29 N 6.76 -5.47 0.00 3.32 4.13 0.66 -2.78 115.26 121.88 1pns n ASN 29 Ca -0.02 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1pns n ASN 29 Cb 0.47 -4.68 0.00 0.00 -1.54 0.00 0.00 39.78 34.03 1pns n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pns n GLY 30 N -0.72 2.16 3.42 7.41 0.00 -1.26 -5.05 105.19 111.15 1pns n GLY 30 Ca -0.22 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1pns n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pns n GLN 31 N 0.00 -0.41 -1.68 1.61 6.02 -1.12 -4.81 117.38 116.98 1pns n GLN 31 Ca 0.00 -0.08 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 1pns n GLN 31 Cb 0.00 -1.88 0.05 0.00 1.02 0.00 0.00 30.24 29.43 1pns n GLN 31 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1pns s ASP 32 N -2.05 5.20 0.24 1.08 -1.08 -1.26 -1.26 116.67 117.54 1pns s ASP 32 Ca 0.57 1.83 -0.08 0.00 -0.52 0.00 0.00 52.55 54.36 1pns s ASP 32 Cb -0.21 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.13 1pns s ASP 32 CO 0.67 -1.56 1.64 0.15 0.52 0.00 0.00 175.17 176.58 1pns h PHE 33 N -0.27 -0.06 0.00 -5.34 3.57 -1.27 1.11 116.94 114.67 1pns h PHE 33 Ca -0.45 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1pns h PHE 33 Cb 1.23 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1pns h PHE 33 CO 0.58 -0.23 0.00 0.09 -2.23 0.00 0.00 178.31 176.52 1pns n ASN 34 N -5.34 0.00 -0.08 0.41 3.02 -1.26 -2.87 115.26 109.14 1pns n ASN 34 Ca 0.13 -0.20 -0.16 0.00 -0.03 0.00 0.00 54.58 54.32 1pns n ASN 34 Cb 0.45 -0.24 -0.14 0.00 -0.61 0.00 0.00 39.78 39.25 1pns n ASN 34 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1pns n GLU 35 N -1.24 0.68 0.00 3.52 4.07 0.37 -3.60 120.64 124.45 1pns n GLU 35 Ca 0.13 0.16 -0.18 0.00 -0.06 0.00 0.00 57.16 57.21 1pns n GLU 35 Cb 0.18 -1.60 -0.10 0.00 -0.06 0.00 0.00 31.44 29.86 1pns n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1pns h TYR 36 N 0.02 0.79 -1.34 4.31 3.20 -1.15 -3.24 116.97 119.55 1pns h TYR 36 Ca -0.50 -0.40 -0.63 0.00 3.14 0.00 0.00 58.73 60.33 1pns h TYR 36 Cb 2.02 -0.10 -0.24 0.00 1.54 0.00 0.00 36.73 39.96 1pns h TYR 36 CO 0.03 1.22 0.79 1.19 -1.64 0.00 0.00 178.16 179.75 1pns n PHE 37 N -4.10 2.57 -1.66 -3.82 0.99 -1.14 -4.96 117.46 105.34 1pns n PHE 37 Ca -0.10 -2.38 -0.28 0.00 -0.00 0.00 0.00 57.45 54.69 1pns n PHE 37 Cb 0.72 -1.27 -0.04 0.00 -1.00 0.00 0.00 39.48 37.88 1pns n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1pns s GLN 38 N -3.21 2.03 0.00 -1.08 -0.44 -1.22 -3.52 119.66 112.20 1pns s GLN 38 Ca 0.54 0.87 0.00 0.00 -2.50 0.00 0.00 55.36 54.27 1pns s GLN 38 Cb 0.42 -4.67 0.00 0.00 -1.64 0.00 0.00 33.01 27.12 1pns s GLN 38 CO -0.22 -3.62 0.00 0.41 0.50 0.00 0.00 175.29 172.36 1pns n GLY 39 N 6.31 -0.15 2.77 2.59 0.00 -1.26 -5.08 105.19 110.36 1pns n GLY 39 Ca 0.38 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1pns n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pns s LEU 40 N -1.87 -0.18 0.11 0.99 1.43 -1.23 -5.02 118.68 112.91 1pns s LEU 40 Ca 0.00 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1pns s LEU 40 Cb 0.00 0.56 0.07 0.00 0.03 0.00 0.00 46.19 46.85 1pns s LEU 40 CO 0.00 -0.33 0.70 0.52 0.23 0.00 0.00 176.35 177.47 1pns n VAL 41 N 4.82 0.28 -0.04 -1.59 0.31 -1.26 -0.88 118.33 119.96 1pns n VAL 41 Ca 0.04 0.59 -0.16 0.00 -0.01 0.00 0.00 64.34 64.79 1pns n VAL 41 Cb 0.46 -1.59 -0.14 0.00 -0.91 0.00 0.00 33.84 31.66 1pns n VAL 41 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pns n ARG 42 N -1.35 0.70 -0.11 5.55 5.12 -1.26 -4.57 116.66 120.75 1pns n ARG 42 Ca -0.00 0.21 -0.00 0.00 -1.93 0.00 0.00 57.85 56.13 1pns n ARG 42 Cb 0.49 -1.66 0.01 0.00 -1.16 0.00 0.00 32.46 30.14 1pns n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pns n ALA 43 N -2.93 -0.02 -0.63 7.54 0.00 -0.06 0.92 120.51 125.33 1pns n ALA 43 Ca -0.32 0.28 0.49 0.00 0.00 0.00 0.00 53.44 53.89 1pns n ALA 43 Cb 1.05 -0.13 0.75 0.00 0.00 0.00 0.00 19.45 21.12 1pns n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pns n VAL 44 N -4.41 0.00 0.28 0.00 0.31 -1.26 -1.51 118.33 111.74 1pns n VAL 44 Ca 0.03 1.42 -0.18 0.00 -0.01 0.00 0.00 64.34 65.60 1pns n VAL 44 Cb 0.11 -2.39 -0.09 0.00 -0.91 0.00 0.00 33.84 30.57 1pns n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pns h ALA 45 N 0.90 -1.04 -0.67 3.52 0.00 0.21 -3.21 119.26 118.97 1pns h ALA 45 Ca 0.86 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.80 1pns h ALA 45 Cb 3.58 0.66 -0.12 0.00 0.00 0.00 0.00 17.79 21.91 1pns h ALA 45 CO -0.01 -1.12 0.07 0.00 0.00 0.00 0.00 179.25 178.18 1pns n ALA 46 N -2.77 0.40 1.76 0.00 0.00 -0.57 0.12 120.51 119.45 1pns n ALA 46 Ca -0.12 0.72 0.15 0.00 0.00 0.00 0.00 53.44 54.19 1pns n ALA 46 Cb 0.44 -0.55 0.74 0.00 0.00 0.00 0.00 19.45 20.08 1pns n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pns n LEU 47 N -4.84 0.72 -0.14 0.00 4.77 -1.21 -4.01 117.00 112.29 1pns n LEU 47 Ca 0.17 -0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 1pns n LEU 47 Cb 0.57 -0.00 0.46 0.00 -2.33 0.00 0.00 43.42 42.12 1pns n LEU 47 CO -0.04 0.12 1.20 -0.08 -1.33 0.00 0.00 177.39 177.26 1pns h GLU 48 N 1.12 0.49 0.00 3.23 4.57 0.91 0.47 114.58 125.36 1pns h GLU 48 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1pns h GLU 48 Cb 0.24 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1pns h GLU 48 CO 0.00 0.32 0.00 -1.00 -1.18 0.00 0.00 179.01 177.15 1pns h PRO 49 N 0.51 0.00 0.15 0.92 0.13 -1.77 -1.90 132.00 130.04 1pns h PRO 49 Ca 0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.45 1pns h PRO 49 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1pns h PRO 49 CO -0.11 0.00 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.52 1pns h LEU 50 N 0.00 -0.17 -1.35 1.56 3.38 -1.21 -3.15 115.31 114.37 1pns h LEU 50 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pns h LEU 50 Cb 0.25 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1pns h LEU 50 CO 0.00 0.15 0.47 0.03 0.09 0.00 0.00 178.44 179.18 1pns h ARG 51 N -0.75 0.00 -0.60 1.13 3.08 -1.44 0.38 114.38 116.18 1pns h ARG 51 Ca -0.02 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1pns h ARG 51 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1pns h ARG 51 CO 0.03 0.00 0.32 0.00 -1.07 0.00 0.00 179.97 179.26 1pns h ALA 52 N 1.00 0.79 -0.20 0.04 0.00 -1.30 -3.09 119.26 116.51 1pns h ALA 52 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1pns h ALA 52 Cb 0.95 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.49 1pns h ALA 52 CO 0.00 -0.01 -0.63 1.33 0.00 0.00 0.00 179.25 179.94 1pns n VAL 53 N -4.83 2.13 -3.66 0.00 0.24 0.13 -4.97 118.33 107.37 1pns n VAL 53 Ca 0.07 -3.35 -0.23 0.00 -2.04 0.00 0.00 64.34 58.79 1pns n VAL 53 Cb 0.16 -0.36 0.04 0.00 -1.47 0.00 0.00 33.84 32.21 1pns n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1pns n ASP 54 N -0.90 -2.38 0.00 -1.34 8.00 -0.97 -5.01 116.55 113.95 1pns n ASP 54 Ca 0.24 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1pns n ASP 54 Cb 0.79 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 1pns n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pns n ALA 55 N -4.16 0.00 -0.83 2.24 0.00 -0.97 -4.84 120.51 111.95 1pns n ALA 55 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1pns n ALA 55 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1pns n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pns n LEU 56 N 0.00 0.00 -3.42 0.00 0.00 -1.26 -4.13 117.00 108.19 1pns n LEU 56 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 1pns n LEU 56 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 1pns n LEU 56 CO 0.00 0.00 2.30 0.61 0.00 0.00 0.00 177.39 180.30 1pns n GLY 57 N 0.00 2.99 0.00 -3.96 0.00 -1.26 -0.71 105.19 102.26 1pns n GLY 57 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1pns n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pns n ARG 58 N 5.60 0.00 0.00 1.61 0.00 -1.21 -5.00 116.66 117.66 1pns n ARG 58 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.33 1pns n ARG 58 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.74 1pns n ARG 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1pns n PHE 59 N -0.06 0.00 -3.61 -0.14 3.01 0.11 -2.42 117.46 114.35 1pns n PHE 59 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 1pns n PHE 59 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1pns n PHE 59 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1pns s ASP 60 N 0.10 -0.14 -0.10 4.37 -1.08 -0.89 -0.58 116.67 118.36 1pns s ASP 60 Ca 0.00 0.10 -0.05 0.00 -0.52 0.00 0.00 52.55 52.08 1pns s ASP 60 Cb 0.00 0.12 0.05 0.00 -1.46 0.00 0.00 42.92 41.63 1pns s ASP 60 CO 0.00 -0.16 0.23 0.00 0.52 0.00 0.00 175.17 175.75 1pns s ALA 61 N -1.55 -0.48 -0.18 3.66 0.00 -0.30 -1.01 121.76 121.89 1pns s ALA 61 Ca 0.07 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 52.86 1pns s ALA 61 Cb -0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1pns s ALA 61 CO -0.05 -0.30 0.06 -0.47 0.00 0.00 0.00 175.76 175.00 1pns s TYR 62 N 1.53 3.23 -0.03 0.00 5.04 -0.20 -1.01 117.35 125.91 1pns s TYR 62 Ca -0.07 0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.61 1pns s TYR 62 Cb -0.11 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.14 1pns s TYR 62 CO -0.08 0.12 -0.02 0.42 -1.34 0.00 0.00 175.55 174.65 1pns s ILE 63 N 0.43 0.31 -0.17 3.14 1.01 -0.39 -1.17 121.20 124.36 1pns s ILE 63 Ca 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 1pns s ILE 63 Cb -0.13 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1pns s ILE 63 CO 0.01 0.17 0.03 -0.89 0.00 0.00 0.00 174.94 174.25 1pns s THR 64 N 0.91 4.51 -0.05 2.92 2.01 -0.71 -0.24 115.64 124.98 1pns s THR 64 Ca -0.10 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1pns s THR 64 Cb -0.13 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.40 1pns s THR 64 CO -0.01 0.49 0.03 0.54 -0.69 0.00 0.00 174.62 174.97 1pns s VAL 65 N 0.24 0.13 -0.08 3.82 0.11 -1.26 0.61 120.40 123.96 1pns s VAL 65 Ca 0.02 0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 59.29 1pns s VAL 65 Cb -0.13 -0.32 0.04 0.00 -1.53 0.00 0.00 36.38 34.45 1pns s VAL 65 CO 0.01 0.20 0.17 -0.60 -3.33 0.00 0.00 175.10 171.56 1pns s ARG 66 N 1.89 0.12 0.00 1.54 3.52 -1.00 -4.96 118.95 120.05 1pns s ARG 66 Ca 0.02 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 1pns s ARG 66 Cb -0.12 -0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.10 1pns s ARG 66 CO -0.04 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 1pns n GLY 67 N 4.25 3.42 4.69 8.12 0.00 -1.26 -2.98 105.19 121.42 1pns n GLY 67 Ca -0.26 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1pns n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pns n GLY 68 N 0.59 1.12 3.07 -0.02 0.00 -1.06 -4.19 105.19 104.70 1pns n GLY 68 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1pns n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pns s GLY 69 N 0.00 0.31 0.06 -0.02 0.00 -1.26 -5.02 107.32 101.39 1pns s GLY 69 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.91 1pns s GLY 69 CO 0.00 -0.94 0.90 0.28 0.00 0.00 0.00 173.10 173.34 1pns n LYS 70 N 0.68 0.02 -0.03 2.90 5.02 -1.26 -0.01 118.16 125.49 1pns n LYS 70 Ca -0.18 0.36 -0.21 0.00 -2.02 0.00 0.00 58.31 56.25 1pns n LYS 70 Cb 0.59 -1.77 -0.13 0.00 -0.02 0.00 0.00 35.03 33.70 1pns n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pns h SER 71 N 0.00 0.27 -0.27 4.39 0.87 -1.97 -2.91 113.55 113.92 1pns h SER 71 Ca 0.00 -0.78 -0.08 0.00 -1.23 0.00 0.00 61.79 59.69 1pns h SER 71 Cb 0.42 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 1pns h SER 71 CO 0.00 1.66 -0.10 1.23 -0.53 0.00 0.00 176.83 179.09 1pns h GLY 72 N 0.08 0.72 1.01 5.77 0.00 -0.76 -2.18 103.07 107.72 1pns h GLY 72 Ca -0.36 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.40 1pns h GLY 72 CO -0.01 0.48 0.18 1.46 0.00 0.00 0.00 176.54 178.64 1pns h GLN 73 N 0.62 0.96 -0.21 4.80 4.20 -1.10 -0.65 115.11 123.72 1pns h GLN 73 Ca 0.11 -0.21 0.06 0.00 0.06 0.00 0.00 58.65 58.67 1pns h GLN 73 Cb 0.53 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1pns h GLN 73 CO 0.03 0.86 0.19 0.82 -0.67 0.00 0.00 178.83 180.05 1pns h ILE 74 N 0.88 0.63 0.00 2.54 2.04 -1.19 0.15 117.51 122.56 1pns h ILE 74 Ca 0.20 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.78 1pns h ILE 74 Cb 0.31 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1pns h ILE 74 CO -0.00 0.00 -1.66 0.44 0.00 0.00 0.00 178.15 176.92 1pns h ASP 75 N 0.00 0.00 -0.01 1.72 3.32 -1.13 -2.77 116.42 117.55 1pns h ASP 75 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1pns h ASP 75 Cb 0.47 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1pns h ASP 75 CO -0.00 0.96 -0.00 0.00 -1.72 0.00 0.00 179.24 178.48 1pns h ALA 76 N 1.04 0.02 -0.99 3.45 0.00 -0.01 -1.45 119.26 121.31 1pns h ALA 76 Ca -0.27 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1pns h ALA 76 Cb 1.97 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 1pns h ALA 76 CO 0.08 -0.28 0.64 0.82 0.00 0.00 0.00 179.25 180.51 1pns h ILE 77 N -0.35 1.15 -0.55 0.00 2.04 -0.90 0.47 117.51 119.38 1pns h ILE 77 Ca 0.00 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1pns h ILE 77 Cb 0.39 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1pns h ILE 77 CO 0.00 0.22 0.22 0.50 0.00 0.00 0.00 178.15 179.10 1pns h LYS 78 N 1.23 0.79 0.00 2.37 3.11 -1.29 -0.45 116.57 122.33 1pns h LYS 78 Ca 0.40 -0.12 -0.24 0.00 -2.81 0.00 0.00 60.65 57.88 1pns h LYS 78 Cb 0.03 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.13 1pns h LYS 78 CO -0.13 0.65 -0.99 1.25 -2.81 0.00 0.00 179.45 177.41 1pns h LEU 79 N 0.78 0.69 0.70 5.20 7.12 -0.02 -2.71 115.31 127.07 1pns h LEU 79 Ca 0.19 -0.56 -0.03 0.00 0.13 0.00 0.00 57.88 57.61 1pns h LEU 79 Cb 0.15 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.06 1pns h LEU 79 CO -0.02 1.36 -0.47 1.23 -0.13 0.00 0.00 178.44 180.41 1pns h GLY 80 N 0.89 -1.26 1.31 3.75 0.00 0.47 0.15 103.07 108.39 1pns h GLY 80 Ca -0.10 0.53 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1pns h GLY 80 CO 0.18 -0.42 0.31 -2.22 0.00 0.00 0.00 176.54 174.40 1pns h ILE 81 N -1.11 0.13 0.19 2.60 2.04 -1.18 0.78 117.51 120.96 1pns h ILE 81 Ca -0.09 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.47 1pns h ILE 81 Cb 0.91 0.71 0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1pns h ILE 81 CO 0.06 0.00 -1.41 0.00 0.00 0.00 0.00 178.15 176.80 1pns h ALA 82 N 1.47 -0.01 0.48 1.87 0.00 -0.88 -3.05 119.26 119.14 1pns h ALA 82 Ca 0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.99 1pns h ALA 82 Cb 0.68 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1pns h ALA 82 CO -0.00 0.74 -0.23 0.00 0.00 0.00 0.00 179.25 179.76 1pns h ARG 83 N -0.05 -0.63 -0.93 0.00 3.08 0.13 -3.25 114.38 112.75 1pns h ARG 83 Ca -0.27 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.06 1pns h ARG 83 Cb 1.98 0.14 -0.13 0.00 0.08 0.00 0.00 29.97 32.04 1pns h ARG 83 CO 0.19 -0.41 0.44 0.00 -1.07 0.00 0.00 179.97 179.12 1pns h ALA 84 N -1.16 1.54 0.00 0.04 0.00 -0.83 1.03 119.26 119.88 1pns h ALA 84 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pns h ALA 84 Cb 0.50 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1pns h ALA 84 CO 0.11 -0.36 0.00 -0.11 0.00 0.00 0.00 179.25 178.89 1pns n LEU 85 N -5.03 0.00 -0.11 0.00 7.94 -1.15 -1.95 117.00 116.71 1pns n LEU 85 Ca 0.24 0.29 -0.14 0.00 -1.11 0.00 0.00 56.01 55.29 1pns n LEU 85 Cb 0.71 -0.29 -0.11 0.00 0.53 0.00 0.00 43.42 44.26 1pns n LEU 85 CO 0.13 -0.27 -1.20 0.52 -1.11 0.00 0.00 177.39 175.46 1pns n VAL 86 N -1.29 1.28 -0.14 1.96 0.31 0.35 -3.70 118.33 117.11 1pns n VAL 86 Ca 0.01 -0.57 0.04 0.00 -0.01 0.00 0.00 64.34 63.81 1pns n VAL 86 Cb 0.01 -1.09 0.34 0.00 -0.91 0.00 0.00 33.84 32.20 1pns n VAL 86 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1pns h GLN 87 N 0.00 0.76 0.00 5.55 4.20 -1.23 -1.24 115.11 123.14 1pns h GLN 87 Ca -0.50 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1pns h GLN 87 Cb 1.87 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.48 1pns h GLN 87 CO -0.05 0.50 0.00 0.98 -0.67 0.00 0.00 178.83 179.59 1pns n TYR 88 N -4.46 0.00 -3.53 2.96 9.36 -1.08 -4.55 117.16 115.86 1pns n TYR 88 Ca 0.08 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.88 1pns n TYR 88 Cb 0.12 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.72 1pns n TYR 88 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1pns s ASN 89 N -1.98 5.90 0.00 2.98 2.47 -1.19 -4.92 114.94 118.20 1pns s ASN 89 Ca 0.00 -1.01 0.10 0.00 0.42 0.00 0.00 52.86 52.37 1pns s ASN 89 Cb 0.00 -2.08 0.48 0.00 -1.45 0.00 0.00 41.25 38.20 1pns s ASN 89 CO 0.00 -0.44 1.27 -0.81 -3.72 0.00 0.00 177.10 173.40 1pns n PRO 90 N 5.07 0.08 0.02 0.43 -0.04 -0.47 -2.28 135.00 137.80 1pns n PRO 90 Ca -0.11 0.25 0.14 0.00 -0.04 0.00 0.00 63.50 63.74 1pns n PRO 90 Cb 0.46 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 32.99 1pns n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pns n ASP 91 N -1.39 0.16 0.21 3.54 9.92 -1.26 -3.68 116.55 124.04 1pns n ASP 91 Ca 0.04 0.52 0.06 0.00 -0.53 0.00 0.00 54.79 54.87 1pns n ASP 91 Cb 0.10 -0.56 0.47 0.00 -0.64 0.00 0.00 41.12 40.49 1pns n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1pns h TYR 92 N 0.00 0.00 -0.75 1.24 0.99 -1.76 -3.21 116.97 113.48 1pns h TYR 92 Ca 0.00 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.86 1pns h TYR 92 Cb 0.54 0.00 -0.14 0.00 1.00 0.00 0.00 36.73 38.13 1pns h TYR 92 CO 0.00 0.27 -0.31 0.00 -0.00 0.00 0.00 178.16 178.12 1pns h ARG 93 N 0.00 -0.07 -1.70 4.88 3.08 -1.82 0.34 114.38 119.09 1pns h ARG 93 Ca -0.00 0.00 0.53 0.00 0.07 0.00 0.00 59.98 60.58 1pns h ARG 93 Cb 0.52 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.48 1pns h ARG 93 CO 0.04 -0.05 1.17 0.00 -1.07 0.00 0.00 179.97 180.05 1pns h ALA 94 N 1.33 3.38 0.00 0.04 0.00 -1.85 0.11 119.26 122.27 1pns h ALA 94 Ca 0.31 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1pns h ALA 94 Cb 0.57 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1pns h ALA 94 CO -0.80 -2.01 -1.28 1.63 0.00 0.00 0.00 179.25 176.79 1pns n LYS 95 N -4.32 2.21 0.06 0.00 4.76 -0.25 -4.54 118.16 116.08 1pns n LYS 95 Ca 0.43 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.75 1pns n LYS 95 Cb 1.81 -1.12 0.02 0.00 -1.84 0.00 0.00 35.03 33.90 1pns n LYS 95 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1pns h LEU 96 N 0.00 0.45 -0.01 -0.35 5.85 0.58 -3.35 115.31 118.48 1pns h LEU 96 Ca -0.08 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1pns h LEU 96 Cb 0.93 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1pns h LEU 96 CO 0.00 1.05 -0.08 0.11 -0.34 0.00 0.00 178.44 179.18 1pns h LYS 97 N 0.25 0.07 -0.12 1.25 1.57 -1.03 -3.20 116.57 115.35 1pns h LYS 97 Ca -0.03 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1pns h LYS 97 Cb 1.33 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 1pns h LYS 97 CO 0.13 0.77 0.64 -1.35 -0.57 0.00 0.00 179.45 179.07 1pns h PRO 98 N -0.61 0.00 0.00 3.15 0.11 -1.75 3.01 132.00 135.92 1pns h PRO 98 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1pns h PRO 98 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1pns h PRO 98 CO 0.02 0.00 -0.53 -0.07 -0.21 0.00 0.00 178.00 177.21 1pns h LEU 99 N 0.00 0.00 0.00 2.35 -0.00 -1.71 -3.48 115.31 112.47 1pns h LEU 99 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1pns h LEU 99 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 1pns h LEU 99 CO -0.00 0.07 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 1pns n GLY 100 N 1.16 0.71 0.28 0.83 0.00 1.00 -4.95 105.19 104.23 1pns n GLY 100 Ca 0.01 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1pns n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1pns h PHE 101 N 0.00 0.00 -0.45 1.61 -1.00 -1.70 -2.64 116.94 112.76 1pns h PHE 101 Ca 0.00 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.63 1pns h PHE 101 Cb 0.00 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 39.47 1pns h PHE 101 CO 0.00 0.08 0.19 1.28 -1.61 0.00 0.00 178.31 178.24 1pns n LEU 102 N -3.51 4.41 -4.73 1.54 4.77 -1.26 -4.67 117.00 113.55 1pns n LEU 102 Ca -0.02 -2.28 -0.25 0.00 -0.03 0.00 0.00 56.01 53.43 1pns n LEU 102 Cb 0.21 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 1pns n LEU 102 CO 0.28 0.64 -0.26 -0.89 -1.33 0.00 0.00 177.39 175.82 1pns s THR 103 N -1.93 4.06 -0.61 -5.08 2.01 -1.00 -5.08 115.64 108.01 1pns s THR 103 Ca 0.32 -1.39 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 1pns s THR 103 Cb 0.25 -3.10 0.16 0.00 0.01 0.00 0.00 72.50 69.82 1pns s THR 103 CO 0.08 -0.20 0.40 -0.60 -0.69 0.00 0.00 174.62 173.61 1pns s ARG 104 N -3.28 2.42 -0.53 4.92 3.00 -1.26 -4.98 118.95 119.23 1pns s ARG 104 Ca 0.30 -2.64 -0.39 0.00 -1.00 0.00 0.00 55.73 51.99 1pns s ARG 104 Cb -0.09 -3.60 -0.18 0.00 0.00 0.00 0.00 34.95 31.08 1pns s ARG 104 CO 0.21 -1.16 2.07 -3.47 0.00 0.00 0.00 175.30 172.95 1pns n ASP 105 N 3.23 0.64 -0.51 -2.12 -0.08 -1.26 -4.77 116.55 111.68 1pns n ASP 105 Ca 0.08 0.57 0.04 0.00 -1.51 0.00 0.00 54.79 53.98 1pns n ASP 105 Cb 0.36 -0.84 0.12 0.00 2.34 0.00 0.00 41.12 43.09 1pns n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pns n ALA 106 N 7.39 2.48 -2.23 -1.67 0.00 -1.26 -4.29 120.51 120.93 1pns n ALA 106 Ca 0.53 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1pns n ALA 106 Cb -0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 1pns n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pns s ARG 107 N -1.64 3.76 0.28 0.00 0.52 -1.26 -4.99 118.95 115.61 1pns s ARG 107 Ca 0.18 1.41 0.06 0.00 -0.52 0.00 0.00 55.73 56.86 1pns s ARG 107 Cb 0.09 -4.00 -0.06 0.00 0.52 0.00 0.00 34.95 31.51 1pns s ARG 107 CO 0.12 -1.33 -0.06 0.08 0.02 0.00 0.00 175.30 174.13 1pns s VAL 108 N 5.14 1.61 0.49 3.52 1.01 -1.26 -4.32 120.40 126.59 1pns s VAL 108 Ca 0.66 -2.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.29 1pns s VAL 108 Cb -0.21 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 1pns s VAL 108 CO 0.28 -0.30 1.27 0.52 0.00 0.00 0.00 175.10 176.87 1pns n VAL 109 N -0.57 3.17 -3.43 2.92 0.31 -1.26 -4.96 118.33 114.50 1pns n VAL 109 Ca -0.05 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.40 1pns n VAL 109 Cb 0.63 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.94 1pns n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1pns s GLU 110 N -2.53 4.14 0.53 5.55 2.12 -1.26 -5.04 118.70 122.22 1pns s GLU 110 Ca 0.67 0.37 -0.19 0.00 0.36 0.00 0.00 54.97 56.18 1pns s GLU 110 Cb -0.46 -3.34 -0.09 0.00 0.26 0.00 0.00 34.13 30.50 1pns s GLU 110 CO 0.53 0.41 0.59 -2.13 -0.54 0.00 0.00 175.26 174.12 1pns n ARG 111 N 2.84 0.61 -3.02 4.30 0.00 -1.26 -4.88 116.66 115.26 1pns n ARG 111 Ca -0.11 0.23 -0.44 0.00 -0.00 0.00 0.00 57.85 57.53 1pns n ARG 111 Cb 0.52 -1.72 -0.04 0.00 0.00 0.00 0.00 32.46 31.21 1pns n ARG 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1pns s LYS 112 N -2.03 3.07 0.54 -0.14 2.36 -1.26 -4.37 119.74 117.92 1pns s LYS 112 Ca 0.68 -1.12 -0.18 0.00 -2.55 0.00 0.00 55.97 52.79 1pns s LYS 112 Cb -0.48 -4.25 -0.06 0.00 -1.05 0.00 0.00 37.83 31.99 1pns s LYS 112 CO 0.55 -1.63 1.06 0.15 1.55 0.00 0.00 175.35 177.03 1pns s LYS 113 N 3.19 3.53 0.88 4.03 3.01 -1.26 -4.80 119.74 128.31 1pns s LYS 113 Ca 0.16 1.34 -0.12 0.00 -1.01 0.00 0.00 55.97 56.34 1pns s LYS 113 Cb -0.21 -2.05 0.12 0.00 -1.01 0.00 0.00 37.83 34.67 1pns s LYS 113 CO 0.08 -0.65 1.12 1.52 0.51 0.00 0.00 175.35 177.93 1pns s TYR 114 N -2.13 2.60 0.00 3.18 -0.85 -1.26 -3.38 117.35 115.51 1pns s TYR 114 Ca 0.67 0.97 0.00 0.00 -0.52 0.00 0.00 57.07 58.18 1pns s TYR 114 Cb -0.17 -3.29 0.00 0.00 0.38 0.00 0.00 41.96 38.88 1pns s TYR 114 CO 0.28 -2.19 0.00 0.41 -1.52 0.00 0.00 175.55 172.53 1pns n GLY 115 N -2.11 2.44 3.56 5.49 0.00 -1.26 -4.93 105.19 108.38 1pns n GLY 115 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1pns n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pns s LYS 116 N 0.00 2.03 0.30 1.61 1.02 -1.22 -4.58 119.74 118.90 1pns s LYS 116 Ca 0.00 -1.32 0.13 0.00 0.02 0.00 0.00 55.97 54.79 1pns s LYS 116 Cb 0.00 -2.12 0.42 0.00 -0.52 0.00 0.00 37.83 35.61 1pns s LYS 116 CO 0.00 0.42 1.63 0.45 -0.92 0.00 0.00 175.35 176.93 1pns h HIS 117 N 2.81 0.00 -0.11 3.18 3.86 -0.98 -3.41 115.15 120.51 1pns h HIS 117 Ca -0.46 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.57 1pns h HIS 117 Cb 1.21 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.46 1pns h HIS 117 CO 0.66 0.56 -0.53 1.63 0.86 0.00 0.00 177.93 181.11 1pns n LYS 118 N -3.71 1.16 0.00 2.45 5.02 -1.18 -4.96 118.16 116.94 1pns n LYS 118 Ca -0.01 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 1pns n LYS 118 Cb 0.60 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1pns n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pns n ALA 119 N -0.95 0.00 0.06 7.82 0.00 -1.26 -4.36 120.51 121.81 1pns n ALA 119 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1pns n ALA 119 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1pns n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pns n ARG 120 N 0.00 0.00 -1.41 0.00 1.74 -1.26 -4.59 116.66 111.14 1pns n ARG 120 Ca 0.00 0.00 -0.48 0.00 -0.77 0.00 0.00 57.85 56.60 1pns n ARG 120 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 1pns n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1pns n ARG 121 N -2.85 0.16 -3.45 5.56 0.00 -1.26 -4.78 116.66 110.04 1pns n ARG 121 Ca 0.00 0.03 -0.36 0.00 -0.00 0.00 0.00 57.85 57.51 1pns n ARG 121 Cb 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 32.46 30.69 1pns n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pns s ALA 122 N 8.00 3.66 0.74 5.13 0.00 -1.26 -0.36 121.76 137.67 1pns s ALA 122 Ca 1.26 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 1pns s ALA 122 Cb -1.24 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 19.49 1pns s ALA 122 CO 0.54 0.48 1.16 -0.35 0.00 0.00 0.00 175.76 177.59 1pns n PRO 123 N 1.27 0.52 -3.95 0.00 -0.04 -1.26 -4.88 135.00 126.66 1pns n PRO 123 Ca -0.09 0.24 -0.28 0.00 -0.04 0.00 0.00 63.50 63.33 1pns n PRO 123 Cb 0.52 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 1pns n PRO 123 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1pns s GLN 124 N -3.71 3.38 0.38 0.54 -2.07 -1.26 -5.09 119.66 111.83 1pns s GLN 124 Ca 0.76 -0.58 0.08 0.00 -1.82 0.00 0.00 55.36 53.80 1pns s GLN 124 Cb -0.33 -2.96 -0.07 0.00 -1.09 0.00 0.00 33.01 28.56 1pns s GLN 124 CO 0.48 0.55 -0.02 1.52 -1.32 0.00 0.00 175.29 176.49 1pns s TYR 125 N -1.66 2.44 0.00 9.60 -0.85 -1.26 -5.15 117.35 120.47 1pns s TYR 125 Ca 0.34 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 1pns s TYR 125 Cb -0.12 -1.61 0.00 0.00 0.38 0.00 0.00 41.96 40.62 1pns s TYR 125 CO 0.28 0.47 0.00 -1.13 -1.52 0.00 0.00 175.55 173.64 1pns n SER 126 N -0.89 0.00 -2.79 -0.18 3.41 -1.26 -4.84 113.62 107.07 1pns n SER 126 Ca -0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.41 1pns n SER 126 Cb 0.66 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.56 1pns n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pns n LYS 127 N 0.00 1.62 0.00 4.33 4.01 -1.26 -5.37 118.16 121.50 1pns n LYS 127 Ca 0.00 -1.06 0.00 0.00 -0.51 0.00 0.00 58.31 56.74 1pns n LYS 127 Cb 0.00 -2.16 0.00 0.00 -0.51 0.00 0.00 35.03 32.36 1pns n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16