#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s h LYS 13 N 0.00 0.00 -6.53 5.56 1.57 -1.96 -3.46 116.57 111.76 3i1s h LYS 13 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 3i1s h LYS 13 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i1s h LYS 13 CO 0.00 0.00 -0.92 1.04 -0.57 0.00 0.00 179.45 179.00 3i1s n GLN 14 N -2.18 -1.51 0.04 3.15 6.02 -1.25 -4.94 117.38 116.70 3i1s n GLN 14 Ca -0.01 0.88 -0.12 0.00 -0.01 0.00 0.00 57.00 57.74 3i1s n GLN 14 Cb 0.23 -2.84 -0.09 0.00 1.02 0.00 0.00 30.24 28.56 3i1s n GLN 14 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i1s h VAL 15 N -0.15 1.07 0.00 5.09 2.07 -1.84 -3.48 116.25 119.01 3i1s h VAL 15 Ca -0.53 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 65.95 3i1s h VAL 15 Cb 1.34 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3i1s h VAL 15 CO 0.36 0.24 0.00 -1.20 0.02 0.00 0.00 177.57 176.98 3i1s n SER 16 N -4.93 0.00 -4.57 0.57 7.64 -1.23 -4.84 113.62 106.25 3i1s n SER 16 Ca -0.08 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.39 3i1s n SER 16 Cb 0.26 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 3i1s n SER 16 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3i1s s ASP 17 N 0.00 6.51 0.00 6.43 -0.00 -1.25 -2.06 116.67 126.30 3i1s s ASP 17 Ca 0.00 -1.86 0.00 0.00 -0.00 0.00 0.00 52.55 50.69 3i1s s ASP 17 Cb 0.00 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.35 3i1s s ASP 17 CO 0.00 -1.50 0.00 0.61 -0.00 0.00 0.00 175.17 174.28 3i1s n GLY 18 N 6.18 6.53 3.15 0.21 0.00 -0.53 -3.71 105.19 117.01 3i1s n GLY 18 Ca 0.41 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 3i1s n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1s s VAL 19 N 1.18 1.32 -0.80 1.61 1.01 0.42 -3.07 120.40 122.07 3i1s s VAL 19 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3i1s s VAL 19 Cb 0.00 -1.10 0.20 0.00 0.00 0.00 0.00 36.38 35.48 3i1s s VAL 19 CO 0.00 0.37 0.67 0.00 0.00 0.00 0.00 175.10 176.15 3i1s n ALA 20 N 2.74 3.69 -1.77 5.51 0.00 -0.66 0.13 120.51 130.15 3i1s n ALA 20 Ca -0.15 -4.59 -0.37 0.00 0.00 0.00 0.00 53.44 48.32 3i1s n ALA 20 Cb 0.54 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 3i1s n ALA 20 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3i1s s HIS 21 N -1.57 2.78 -0.02 0.00 3.76 0.10 -2.90 115.29 117.45 3i1s s HIS 21 Ca 0.28 1.51 0.04 0.00 -0.15 0.00 0.00 55.06 56.74 3i1s s HIS 21 Cb -0.03 -3.45 -0.01 0.00 1.11 0.00 0.00 32.58 30.20 3i1s s HIS 21 CO -0.13 -1.74 -0.14 0.42 -0.85 0.00 0.00 174.74 172.30 3i1s s ILE 22 N -1.50 1.13 -0.44 0.60 1.09 0.33 -1.51 121.20 120.90 3i1s s ILE 22 Ca 0.65 -0.60 0.03 0.00 -1.10 0.00 0.00 60.65 59.63 3i1s s ILE 22 Cb -0.31 -0.96 0.12 0.00 -1.06 0.00 0.00 42.46 40.26 3i1s s ILE 22 CO 0.37 0.32 0.21 -2.28 -0.10 0.00 0.00 174.94 173.46 3i1s s HIS 23 N -0.22 2.66 -0.82 3.97 2.46 0.35 -2.98 115.29 120.72 3i1s s HIS 23 Ca 0.03 -2.73 -0.11 0.00 0.47 0.00 0.00 55.06 52.72 3i1s s HIS 23 Cb -0.07 -2.37 0.21 0.00 -0.13 0.00 0.00 32.58 30.22 3i1s s HIS 23 CO -0.00 -0.80 0.74 0.00 -2.47 0.00 0.00 174.74 172.21 3i1s s ALA 24 N 0.31 4.06 1.10 1.58 0.00 -0.91 -0.72 121.76 127.17 3i1s s ALA 24 Ca 0.16 -3.38 -0.11 0.00 0.00 0.00 0.00 51.96 48.63 3i1s s ALA 24 Cb -0.24 -3.35 0.16 0.00 0.00 0.00 0.00 23.12 19.70 3i1s s ALA 24 CO -0.03 -2.24 0.66 -1.13 0.00 0.00 0.00 175.76 173.01 3i1s n SER 25 N 3.71 -1.14 0.07 0.00 3.41 -0.26 -2.27 113.62 117.14 3i1s n SER 25 Ca 0.14 -0.99 -0.06 0.00 -0.26 0.00 0.00 58.87 57.70 3i1s n SER 25 Cb 0.44 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 3i1s n SER 25 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3i1s h PHE 26 N -1.98 0.00 0.00 7.33 -1.00 -1.96 -3.34 116.94 115.99 3i1s h PHE 26 Ca -0.23 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.53 3i1s h PHE 26 Cb 0.70 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.23 3i1s h PHE 26 CO 0.00 0.96 -0.32 0.27 -1.61 0.00 0.00 178.31 177.61 3i1s n ASN 27 N -3.35 1.83 -3.58 2.17 2.04 -1.26 -4.64 115.26 108.46 3i1s n ASN 27 Ca 0.00 -3.32 0.03 0.00 -0.44 0.00 0.00 54.58 50.85 3i1s n ASN 27 Cb 0.92 -0.45 -0.00 0.00 -2.53 0.00 0.00 39.78 37.72 3i1s n ASN 27 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 3i1s s ASN 28 N -2.86 -0.03 -0.11 0.53 2.47 -1.25 -4.13 114.94 109.55 3i1s s ASN 28 Ca 0.33 -0.06 -0.15 0.00 0.42 0.00 0.00 52.86 53.40 3i1s s ASN 28 Cb 0.31 0.07 0.04 0.00 -1.45 0.00 0.00 41.25 40.22 3i1s s ASN 28 CO -0.03 -0.13 0.40 -0.89 -3.72 0.00 0.00 177.10 172.73 3i1s s THR 29 N -2.19 0.01 -0.04 -5.21 2.01 -1.26 -1.10 115.64 107.86 3i1s s THR 29 Ca 0.14 -0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.02 3i1s s THR 29 Cb 0.06 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 71.99 3i1s s THR 29 CO -0.05 -0.07 0.00 -0.63 -0.69 0.00 0.00 174.62 173.18 3i1s s ILE 30 N -0.25 0.23 -0.10 1.82 1.01 0.10 -0.23 121.20 123.76 3i1s s ILE 30 Ca -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 3i1s s ILE 30 Cb -0.03 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 3i1s s ILE 30 CO 0.02 0.19 -0.07 -0.69 0.00 0.00 0.00 174.94 174.38 3i1s s VAL 31 N 1.38 3.61 -0.19 2.92 1.01 -0.69 -0.49 120.40 127.95 3i1s s VAL 31 Ca -0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3i1s s VAL 31 Cb -0.13 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.80 3i1s s VAL 31 CO -0.02 0.55 0.09 -0.89 0.00 0.00 0.00 175.10 174.83 3i1s s THR 32 N -0.25 -0.01 0.05 3.92 2.01 -0.57 -2.14 115.64 118.65 3i1s s THR 32 Ca 0.03 -0.27 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 3i1s s THR 32 Cb -0.13 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.65 3i1s s THR 32 CO 0.03 -0.32 0.66 -0.63 -0.69 0.00 0.00 174.62 173.67 3i1s s ILE 33 N 2.10 4.74 -0.19 1.82 -1.09 -0.18 -0.72 121.20 127.67 3i1s s ILE 33 Ca 0.02 1.41 -0.16 0.00 -2.23 0.00 0.00 60.65 59.69 3i1s s ILE 33 Cb -0.16 -4.00 0.05 0.00 -1.58 0.00 0.00 42.46 36.77 3i1s s ILE 33 CO -0.12 0.45 0.51 0.28 -1.23 0.00 0.00 174.94 174.83 3i1s s THR 34 N -0.52 -0.00 0.95 2.92 -1.32 0.35 -0.56 115.64 117.46 3i1s s THR 34 Ca 0.33 0.01 -0.14 0.00 -1.21 0.00 0.00 61.69 60.69 3i1s s THR 34 Cb -0.20 -0.71 -0.01 0.00 -1.51 0.00 0.00 72.50 70.07 3i1s s THR 34 CO 0.21 0.01 0.16 -0.90 -2.21 0.00 0.00 174.62 171.88 3i1s n ASP 35 N 3.09 -2.88 0.14 8.08 3.85 -1.07 0.16 116.55 127.92 3i1s n ASP 35 Ca -0.15 0.31 0.19 0.00 -0.71 0.00 0.00 54.79 54.42 3i1s n ASP 35 Cb 0.56 -1.11 0.70 0.00 -1.35 0.00 0.00 41.12 39.92 3i1s n ASP 35 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 3i1s h ARG 36 N -1.40 0.00 0.00 0.11 0.11 -1.84 0.45 114.38 111.82 3i1s h ARG 36 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 3i1s h ARG 36 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3i1s h ARG 36 CO 0.32 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.43 3i1s n GLN 37 N -3.37 0.24 -2.02 0.08 1.13 -1.26 -4.84 117.38 107.34 3i1s n GLN 37 Ca 0.06 0.11 -0.04 0.00 -1.94 0.00 0.00 57.00 55.19 3i1s n GLN 37 Cb 0.66 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.51 3i1s n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i1s n GLY 38 N 0.38 0.23 3.33 1.08 0.00 0.16 -5.03 105.19 105.35 3i1s n GLY 38 Ca 0.09 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 3i1s n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i1s s ASN 39 N -2.82 5.52 0.32 1.61 3.84 -1.22 -4.95 114.94 117.25 3i1s s ASN 39 Ca 0.00 -1.04 -0.17 0.00 0.21 0.00 0.00 52.86 51.86 3i1s s ASN 39 Cb 0.00 -1.95 -0.12 0.00 -0.55 0.00 0.00 41.25 38.63 3i1s s ASN 39 CO 0.00 -0.35 0.07 0.00 -2.79 0.00 0.00 177.10 174.03 3i1s n ALA 40 N 4.91 -2.64 0.07 1.71 0.00 -1.26 -2.60 120.51 120.69 3i1s n ALA 40 Ca -0.12 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i1s n ALA 40 Cb 0.46 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3i1s n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1s n LEU 41 N 1.84 0.47 -3.64 0.00 4.77 0.28 -4.69 117.00 116.04 3i1s n LEU 41 Ca 0.09 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 3i1s n LEU 41 Cb 0.31 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 3i1s n LEU 41 CO 0.43 -0.65 0.39 -0.83 -1.33 0.00 0.00 177.39 175.39 3i1s s GLY 42 N -4.52 -0.53 0.03 -0.72 0.00 -0.63 -5.01 107.32 95.92 3i1s s GLY 42 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 44.72 46.74 3i1s s GLY 42 CO 0.00 1.77 -0.04 0.66 0.00 0.00 0.00 173.10 175.49 3i1s s TRP 43 N 0.52 0.38 -0.09 1.90 1.48 -1.26 -1.01 118.94 120.86 3i1s s TRP 43 Ca -0.01 -0.57 -0.07 0.00 -1.06 0.00 0.00 56.10 54.38 3i1s s TRP 43 Cb -0.05 -0.26 0.03 0.00 -1.16 0.00 0.00 33.47 32.03 3i1s s TRP 43 CO -0.01 -0.18 0.22 0.00 -4.06 0.00 0.00 176.95 172.92 3i1s s ALA 44 N -1.66 -0.55 0.38 2.67 0.00 -0.91 -4.90 121.76 116.79 3i1s s ALA 44 Ca -0.12 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.59 3i1s s ALA 44 Cb -0.08 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 3i1s s ALA 44 CO -0.01 -0.12 0.14 0.95 0.00 0.00 0.00 175.76 176.72 3i1s s THR 45 N 0.29 2.59 0.06 0.00 -4.23 -1.26 -1.71 115.64 111.38 3i1s s THR 45 Ca -0.01 -1.74 -0.17 0.00 -1.18 0.00 0.00 61.69 58.59 3i1s s THR 45 Cb -0.03 -2.95 -0.15 0.00 1.34 0.00 0.00 72.50 70.71 3i1s s THR 45 CO -0.01 -0.09 1.30 0.00 -0.54 0.00 0.00 174.62 175.28 3i1s h ALA 46 N 1.52 0.26 0.00 3.99 0.00 -0.87 -2.91 119.26 121.25 3i1s h ALA 46 Ca -0.43 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 3i1s h ALA 46 Cb 1.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3i1s h ALA 46 CO 0.67 0.36 -0.25 0.78 0.00 0.00 0.00 179.25 180.80 3i1s h GLY 47 N 0.19 0.00 2.00 0.00 0.00 -1.82 -2.81 103.07 100.63 3i1s h GLY 47 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3i1s h GLY 47 CO 0.08 0.00 -0.48 -1.33 0.00 0.00 0.00 176.54 174.82 3i1s h GLY 48 N 1.42 0.00 2.00 4.60 0.00 -1.84 -2.75 103.07 106.49 3i1s h GLY 48 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3i1s h GLY 48 CO 0.03 0.00 -0.07 1.76 0.00 0.00 0.00 176.54 178.26 3i1s h SER 49 N 0.00 0.00 0.00 0.19 0.02 -1.31 -3.46 113.55 108.99 3i1s h SER 49 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i1s h SER 49 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3i1s h SER 49 CO 0.06 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 3i1s n GLY 50 N -0.53 0.89 2.85 -3.77 0.00 -1.04 -5.11 105.19 98.48 3i1s n GLY 50 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3i1s n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1s s PHE 51 N -1.04 0.77 0.08 1.61 0.08 -1.23 -5.06 117.98 113.19 3i1s s PHE 51 Ca 0.00 -0.23 0.10 0.00 0.12 0.00 0.00 56.93 56.92 3i1s s PHE 51 Cb 0.00 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.66 3i1s s PHE 51 CO 0.00 -0.26 -0.26 1.03 -0.10 0.00 0.00 175.22 175.63 3i1s s ARG 52 N 1.34 1.58 7.40 0.44 1.81 -1.26 -4.13 118.95 126.13 3i1s s ARG 52 Ca -0.04 -1.20 0.00 0.00 -1.72 0.00 0.00 55.73 52.77 3i1s s ARG 52 Cb -0.13 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.48 3i1s s ARG 52 CO -0.02 0.47 0.00 0.41 -0.68 0.00 0.00 175.30 175.48 3i1s n GLY 53 N 1.41 3.39 0.41 -3.53 0.00 -1.26 -2.79 105.19 102.81 3i1s n GLY 53 Ca -0.17 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3i1s n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i1s h SER 54 N 0.00 -1.22 -0.82 1.61 4.64 -1.96 -2.62 113.55 113.17 3i1s h SER 54 Ca 0.00 0.14 0.11 0.00 -0.47 0.00 0.00 61.79 61.56 3i1s h SER 54 Cb 0.00 0.46 -0.12 0.00 -0.31 0.00 0.00 62.40 62.43 3i1s h SER 54 CO 0.00 -0.48 -0.39 0.54 -0.87 0.00 0.00 176.83 175.63 3i1s n ARG 55 N -5.46 -0.26 -0.23 4.77 3.00 -1.12 -0.68 116.66 116.67 3i1s n ARG 55 Ca -0.07 1.26 -0.01 0.00 -0.01 0.00 0.00 57.85 59.02 3i1s n ARG 55 Cb 0.38 -1.86 0.06 0.00 0.00 0.00 0.00 32.46 31.03 3i1s n ARG 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 3i1s h LYS 56 N 0.00 -0.04 -0.99 5.56 3.64 -1.62 -0.84 116.57 122.28 3i1s h LYS 56 Ca 0.22 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3i1s h LYS 56 Cb 0.43 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3i1s h LYS 56 CO -0.80 -0.03 0.01 -1.13 -2.27 0.00 0.00 179.45 175.23 3i1s n SER 57 N -5.46 1.72 -4.47 4.20 3.41 0.14 -4.41 113.62 108.76 3i1s n SER 57 Ca 0.08 -2.04 -0.33 0.00 -0.26 0.00 0.00 58.87 56.32 3i1s n SER 57 Cb 0.36 -0.51 -0.13 0.00 -0.26 0.00 0.00 64.21 63.67 3i1s n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i1s s THR 58 N -0.78 3.35 0.62 6.66 -4.23 -0.32 -4.46 115.64 116.48 3i1s s THR 58 Ca 0.02 -0.58 0.28 0.00 -1.18 0.00 0.00 61.69 60.23 3i1s s THR 58 Cb 0.02 -2.39 0.34 0.00 1.34 0.00 0.00 72.50 71.81 3i1s s THR 58 CO 0.00 0.55 1.89 1.55 -0.54 0.00 0.00 174.62 178.08 3i1s h PRO 59 N 6.01 0.00 0.89 3.99 0.13 -1.87 0.70 132.00 141.86 3i1s h PRO 59 Ca -0.37 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 3i1s h PRO 59 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 3i1s h PRO 59 CO 0.55 0.00 -0.43 0.35 -0.23 0.00 0.00 178.00 178.24 3i1s h PHE 60 N 0.00 -1.11 -1.03 1.56 3.57 -1.94 0.13 116.94 118.12 3i1s h PHE 60 Ca 0.13 -0.03 0.26 0.00 3.53 0.00 0.00 57.97 61.86 3i1s h PHE 60 Cb 0.99 0.37 -0.09 0.00 2.79 0.00 0.00 35.95 40.01 3i1s h PHE 60 CO 0.00 -0.69 0.66 0.00 -2.23 0.00 0.00 178.31 176.05 3i1s h ALA 61 N -1.36 2.21 0.93 2.41 0.00 -1.11 -0.79 119.26 121.55 3i1s h ALA 61 Ca -0.12 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3i1s h ALA 61 Cb 0.92 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.74 3i1s h ALA 61 CO 0.20 -0.60 -0.46 0.00 0.00 0.00 0.00 179.25 178.39 3i1s h ALA 62 N 1.62 -1.33 -0.20 0.00 0.00 -0.88 -3.01 119.26 115.46 3i1s h ALA 62 Ca 0.58 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.26 3i1s h ALA 62 Cb 1.45 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 3i1s h ALA 62 CO -0.29 -1.25 -0.10 -0.56 0.00 0.00 0.00 179.25 177.06 3i1s h GLN 63 N -1.26 -0.07 0.00 0.00 3.07 0.65 0.66 115.11 118.16 3i1s h GLN 63 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.62 3i1s h GLN 63 Cb 0.97 0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.55 3i1s h GLN 63 CO 0.20 -0.05 0.00 1.33 0.09 0.00 0.00 178.83 180.40 3i1s n VAL 64 N -5.25 0.32 -0.03 1.86 0.24 -0.70 0.15 118.33 114.92 3i1s n VAL 64 Ca -0.02 0.08 0.03 0.00 -2.04 0.00 0.00 64.34 62.39 3i1s n VAL 64 Cb 0.17 -0.95 -0.11 0.00 -1.47 0.00 0.00 33.84 31.49 3i1s n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1s n ALA 65 N -1.11 2.24 -0.01 2.33 0.00 -0.07 -2.97 120.51 120.93 3i1s n ALA 65 Ca 0.05 -0.51 -0.17 0.00 0.00 0.00 0.00 53.44 52.82 3i1s n ALA 65 Cb 0.04 -0.33 -0.12 0.00 0.00 0.00 0.00 19.45 19.04 3i1s n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s h ALA 66 N 1.07 0.01 0.30 0.00 0.00 0.24 -1.21 119.26 119.67 3i1s h ALA 66 Ca -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3i1s h ALA 66 Cb 1.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i1s h ALA 66 CO 0.01 0.20 -0.14 1.49 0.00 0.00 0.00 179.25 180.80 3i1s h GLU 67 N -0.44 -0.39 -1.08 0.00 4.81 0.11 -1.32 114.58 116.27 3i1s h GLU 67 Ca -0.06 0.03 0.30 0.00 -0.13 0.00 0.00 59.36 59.49 3i1s h GLU 67 Cb 1.22 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 3i1s h GLU 67 CO 0.08 -0.10 0.74 -0.09 -0.73 0.00 0.00 179.01 178.91 3i1s h ARG 68 N -0.67 0.18 -2.00 1.92 2.43 -1.66 0.08 114.38 114.65 3i1s h ARG 68 Ca -0.04 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 3i1s h ARG 68 Cb 0.47 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 3i1s h ARG 68 CO 0.07 0.12 -0.29 0.00 -1.51 0.00 0.00 179.97 178.35 3i1s n ALA 70 N 2.27 0.00 0.26 0.00 0.00 -0.13 -4.78 120.51 118.13 3i1s n ALA 70 Ca 0.39 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.95 3i1s n ALA 70 Cb 0.85 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.78 3i1s n ALA 70 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i1s h ASP 71 N 0.00 0.00 0.00 0.00 3.45 -1.13 0.95 116.42 119.69 3i1s h ASP 71 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i1s h ASP 71 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3i1s h ASP 71 CO 0.00 0.00 -0.03 0.00 -1.57 0.00 0.00 179.24 177.64 3i1s n ALA 72 N -1.83 2.03 -0.01 3.45 0.00 -1.13 -4.78 120.51 118.24 3i1s n ALA 72 Ca 0.02 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.89 3i1s n ALA 72 Cb 0.74 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3i1s n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1s n VAL 73 N -0.79 0.00 0.15 0.00 0.24 0.30 -4.89 118.33 113.33 3i1s n VAL 73 Ca 0.06 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.32 3i1s n VAL 73 Cb 0.44 0.21 0.02 0.00 -1.47 0.00 0.00 33.84 33.04 3i1s n VAL 73 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i1s n LYS 74 N 0.00 1.18 -0.00 7.34 4.81 0.58 -3.34 118.16 128.73 3i1s n LYS 74 Ca 0.00 -0.40 0.09 0.00 -0.87 0.00 0.00 58.31 57.14 3i1s n LYS 74 Cb 0.00 -1.16 -0.11 0.00 0.02 0.00 0.00 35.03 33.78 3i1s n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3i1s n GLU 75 N 0.68 0.56 0.00 1.64 -0.58 -1.26 -3.95 120.64 117.73 3i1s n GLU 75 Ca 0.08 -0.01 0.03 0.00 -0.42 0.00 0.00 57.16 56.84 3i1s n GLU 75 Cb 0.59 -1.42 0.17 0.00 -0.57 0.00 0.00 31.44 30.21 3i1s n GLU 75 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3i1s n TYR 76 N -1.49 0.00 -2.89 -0.32 4.01 -1.21 -4.87 117.16 110.40 3i1s n TYR 76 Ca 0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 3i1s n TYR 76 Cb 0.31 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.40 3i1s n TYR 76 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i1s n GLY 77 N 0.40 -0.25 3.60 2.72 0.00 -1.25 -3.64 105.19 106.76 3i1s n GLY 77 Ca 0.04 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3i1s n GLY 77 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1s s ILE 78 N -3.26 4.22 0.00 -0.61 -0.00 -1.26 -3.57 121.20 116.72 3i1s s ILE 78 Ca 0.11 1.16 0.00 0.00 -0.00 0.00 0.00 60.65 61.93 3i1s s ILE 78 Cb -0.01 -4.60 0.00 0.00 -0.00 0.00 0.00 42.46 37.85 3i1s s ILE 78 CO 0.50 -1.01 0.03 0.29 -0.00 0.00 0.00 174.94 174.75 3i1s n LYS 79 N 7.81 0.00 -4.21 0.37 4.76 -0.87 -4.89 118.16 121.12 3i1s n LYS 79 Ca 0.11 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.25 3i1s n LYS 79 Cb 0.49 -0.47 -0.09 0.00 -1.84 0.00 0.00 35.03 33.12 3i1s n LYS 79 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3i1s s ASN 80 N -1.07 4.75 -0.19 4.39 0.01 -1.21 -3.01 114.94 118.62 3i1s s ASN 80 Ca 0.00 -0.24 -0.05 0.00 -0.71 0.00 0.00 52.86 51.86 3i1s s ASN 80 Cb 0.00 -1.06 0.09 0.00 0.41 0.00 0.00 41.25 40.69 3i1s s ASN 80 CO 0.00 0.19 0.36 -1.48 -1.51 0.00 0.00 177.10 174.66 3i1s s LEU 81 N -2.12 -0.53 0.58 0.60 -0.00 0.03 -1.45 118.68 115.79 3i1s s LEU 81 Ca 0.23 0.68 -0.19 0.00 -0.00 0.00 0.00 54.13 54.85 3i1s s LEU 81 Cb -0.11 1.08 -0.04 0.00 -0.00 0.00 0.00 46.19 47.12 3i1s s LEU 81 CO 0.15 -0.25 1.16 -1.83 -0.00 0.00 0.00 176.35 175.58 3i1s s GLU 82 N 2.54 3.09 -0.16 1.48 1.03 -1.17 -3.01 118.70 122.49 3i1s s GLU 82 Ca 0.02 1.68 0.01 0.00 0.03 0.00 0.00 54.97 56.71 3i1s s GLU 82 Cb -0.13 -1.96 0.01 0.00 -0.80 0.00 0.00 34.13 31.25 3i1s s GLU 82 CO -0.12 -1.07 -0.18 0.08 -1.33 0.00 0.00 175.26 172.63 3i1s s VAL 83 N -1.77 2.32 -0.08 1.83 1.01 -0.56 -1.66 120.40 121.50 3i1s s VAL 83 Ca 0.74 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3i1s s VAL 83 Cb -0.26 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3i1s s VAL 83 CO 0.32 0.53 -0.10 -0.04 0.00 0.00 0.00 175.10 175.80 3i1s s MET 84 N 0.97 2.87 -0.01 2.72 -1.94 -1.14 0.03 119.30 122.79 3i1s s MET 84 Ca -0.03 -0.62 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 3i1s s MET 84 Cb -0.15 -2.56 0.01 0.00 2.01 0.00 0.00 34.83 34.15 3i1s s MET 84 CO -0.04 0.53 -0.00 0.08 -0.01 0.00 0.00 175.02 175.57 3i1s s VAL 85 N -0.45 0.11 0.07 -6.03 1.01 -1.21 -0.51 120.40 113.39 3i1s s VAL 85 Ca 0.06 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.12 3i1s s VAL 85 Cb -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3i1s s VAL 85 CO 0.02 0.08 -0.10 -1.59 0.00 0.00 0.00 175.10 173.51 3i1s s LYS 86 N 0.54 0.73 0.00 2.72 -2.85 -1.16 -1.91 119.74 117.81 3i1s s LYS 86 Ca -0.05 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 53.95 3i1s s LYS 86 Cb -0.08 -0.52 0.00 0.00 -2.06 0.00 0.00 37.83 35.18 3i1s s LYS 86 CO -0.01 0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.94 3i1s n GLY 87 N 1.03 -2.29 0.00 0.59 0.00 -1.26 -2.14 105.19 101.13 3i1s n GLY 87 Ca -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3i1s n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1s n PRO 88 N -2.09 0.00 0.00 1.61 -0.05 -0.96 -4.66 135.00 128.85 3i1s n PRO 88 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 3i1s n PRO 88 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 3i1s n PRO 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3i1s n GLY 89 N 5.00 0.37 0.00 0.55 0.00 -1.25 -4.37 105.19 105.49 3i1s n GLY 89 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3i1s n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1s n PRO 90 N -0.48 3.08 0.00 1.61 -0.04 -1.26 -4.39 135.00 133.52 3i1s n PRO 90 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i1s n PRO 90 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i1s n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1s n GLY 91 N 0.00 0.51 5.50 0.55 0.00 -1.26 -4.57 105.19 105.92 3i1s n GLY 91 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3i1s n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1s n ARG 92 N 0.00 0.00 -0.07 1.61 3.00 -1.26 0.18 116.66 120.12 3i1s n ARG 92 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 3i1s n ARG 92 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.33 3i1s n ARG 92 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3i1s n GLU 93 N 0.00 0.70 -0.23 -0.14 0.28 -1.26 -4.42 120.64 115.57 3i1s n GLU 93 Ca 0.00 0.22 -0.06 0.00 -0.16 0.00 0.00 57.16 57.16 3i1s n GLU 93 Cb 0.00 -1.61 -0.06 0.00 1.43 0.00 0.00 31.44 31.20 3i1s n GLU 93 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3i1s h SER 94 N -0.04 -1.23 -0.97 -1.84 0.87 0.15 0.33 113.55 110.82 3i1s h SER 94 Ca -0.51 0.19 0.27 0.00 -1.23 0.00 0.00 61.79 60.51 3i1s h SER 94 Cb 1.93 0.54 -0.18 0.00 -0.44 0.00 0.00 62.40 64.25 3i1s h SER 94 CO -0.02 -0.14 0.01 1.07 -0.53 0.00 0.00 176.83 177.22 3i1s n THR 95 N -4.29 -0.41 -0.28 2.23 5.66 -1.07 0.13 114.28 116.25 3i1s n THR 95 Ca 0.01 2.14 -0.02 0.00 -3.05 0.00 0.00 64.05 63.13 3i1s n THR 95 Cb 0.15 -3.12 0.10 0.00 -1.55 0.00 0.00 70.33 65.91 3i1s n THR 95 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3i1s h ILE 96 N 0.00 1.11 0.08 1.09 2.04 -1.16 -2.11 117.51 118.56 3i1s h ILE 96 Ca 0.59 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 3i1s h ILE 96 Cb 1.20 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3i1s h ILE 96 CO -0.92 0.17 -0.11 0.03 0.00 0.00 0.00 178.15 177.33 3i1s h ARG 97 N 0.95 -0.19 -0.32 2.37 3.08 0.16 0.25 114.38 120.69 3i1s h ARG 97 Ca 0.31 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.47 3i1s h ARG 97 Cb 0.03 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3i1s h ARG 97 CO -0.12 -0.13 0.51 0.00 -1.07 0.00 0.00 179.97 179.16 3i1s h ALA 98 N -1.52 1.94 0.49 0.04 0.00 -1.51 0.26 119.26 118.97 3i1s h ALA 98 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3i1s h ALA 98 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i1s h ALA 98 CO -0.02 -0.67 -0.24 1.25 0.00 0.00 0.00 179.25 179.57 3i1s h LEU 99 N 0.00 -0.56 -1.47 0.00 5.85 -0.31 -3.21 115.31 115.61 3i1s h LEU 99 Ca 0.15 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3i1s h LEU 99 Cb 1.16 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3i1s h LEU 99 CO -0.00 -0.27 0.29 -1.13 -0.34 0.00 0.00 178.44 176.99 3i1s h ASN 100 N -0.93 0.57 0.00 1.25 -1.24 -0.31 -1.77 115.58 113.15 3i1s h ASN 100 Ca -0.07 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.92 3i1s h ASN 100 Cb 0.51 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.42 3i1s h ASN 100 CO 0.11 0.44 0.00 0.00 -1.29 0.00 0.00 177.43 176.69 3i1s n ALA 101 N -2.46 1.86 -0.86 1.57 0.00 0.01 0.17 120.51 120.80 3i1s n ALA 101 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.56 3i1s n ALA 101 Cb 0.07 -1.00 0.24 0.00 0.00 0.00 0.00 19.45 18.76 3i1s n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s n ALA 102 N -0.47 2.82 -0.62 0.00 0.00 -0.67 -4.93 120.51 116.65 3i1s n ALA 102 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.31 3i1s n ALA 102 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3i1s n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1s n GLY 103 N -0.40 1.38 3.74 0.00 0.00 0.13 -5.00 105.19 105.03 3i1s n GLY 103 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3i1s n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1s s PHE 104 N -3.48 2.81 -0.59 1.61 0.40 -1.14 -4.91 117.98 112.68 3i1s s PHE 104 Ca 0.00 0.57 -0.27 0.00 -0.60 0.00 0.00 56.93 56.62 3i1s s PHE 104 Cb 0.00 -4.12 0.03 0.00 0.51 0.00 0.00 43.02 39.45 3i1s s PHE 104 CO 0.00 -3.98 1.15 0.50 0.70 0.00 0.00 175.22 173.59 3i1s s ARG 105 N 0.26 3.45 -1.22 0.44 3.00 -1.16 -4.57 118.95 119.14 3i1s s ARG 105 Ca 0.69 0.10 -0.20 0.00 -1.00 0.00 0.00 55.73 55.32 3i1s s ARG 105 Cb -0.49 -4.04 0.04 0.00 0.00 0.00 0.00 34.95 30.46 3i1s s ARG 105 CO 0.41 -1.69 1.73 -1.50 0.00 0.00 0.00 175.30 174.26 3i1s s ILE 106 N 4.83 3.97 0.00 4.11 2.07 -1.26 -0.79 121.20 134.12 3i1s s ILE 106 Ca 0.40 -1.51 0.00 0.00 -1.41 0.00 0.00 60.65 58.13 3i1s s ILE 106 Cb -0.09 -5.03 0.00 0.00 0.13 0.00 0.00 42.46 37.48 3i1s s ILE 106 CO 0.23 -1.80 0.10 0.41 -1.91 0.00 0.00 174.94 171.97 3i1s n THR 107 N 6.77 0.00 -3.83 4.00 -1.04 -1.16 -4.80 114.28 114.21 3i1s n THR 107 Ca 0.45 0.60 -0.26 0.00 -2.04 0.00 0.00 64.05 62.81 3i1s n THR 107 Cb 0.47 -1.44 -0.17 0.00 -1.82 0.00 0.00 70.33 67.37 3i1s n THR 107 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3i1s s ASN 108 N -2.32 2.22 0.26 8.00 2.47 -1.26 -4.94 114.94 119.37 3i1s s ASN 108 Ca 0.00 -0.37 -0.10 0.00 0.42 0.00 0.00 52.86 52.81 3i1s s ASN 108 Cb 0.00 -0.69 -0.07 0.00 -1.45 0.00 0.00 41.25 39.04 3i1s s ASN 108 CO 0.00 -0.18 0.59 -0.63 -3.72 0.00 0.00 177.10 173.16 3i1s s ILE 109 N 1.80 4.89 0.23 -5.21 1.01 -1.26 -1.49 121.20 121.17 3i1s s ILE 109 Ca 0.03 0.51 0.05 0.00 0.00 0.00 0.00 60.65 61.24 3i1s s ILE 109 Cb -0.14 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3i1s s ILE 109 CO -0.07 -0.15 0.21 0.35 0.00 0.00 0.00 174.94 175.28 3i1s n THR 110 N -0.35 0.00 -3.35 2.92 -2.24 0.10 -4.89 114.28 106.48 3i1s n THR 110 Ca 0.01 -1.64 -0.09 0.00 -2.27 0.00 0.00 64.05 60.06 3i1s n THR 110 Cb 0.53 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.51 3i1s n THR 110 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i1s s ASP 111 N -2.60 0.28 -0.72 3.42 2.15 -1.26 -3.31 116.67 114.63 3i1s s ASP 111 Ca 0.27 0.20 0.02 0.00 0.43 0.00 0.00 52.55 53.47 3i1s s ASP 111 Cb 0.01 1.09 0.36 0.00 -0.30 0.00 0.00 42.92 44.08 3i1s s ASP 111 CO 0.19 -0.30 1.49 1.33 -0.17 0.00 0.00 175.17 177.71 3i1s n VAL 112 N 5.36 3.74 -2.53 1.11 0.24 -0.80 -4.94 118.33 120.51 3i1s n VAL 112 Ca -0.04 -5.15 -0.43 0.00 -2.04 0.00 0.00 64.34 56.68 3i1s n VAL 112 Cb 0.50 -1.36 -0.02 0.00 -1.47 0.00 0.00 33.84 31.49 3i1s n VAL 112 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i1s s THR 113 N -4.90 4.05 -0.41 3.34 2.01 -1.26 -4.68 115.64 113.80 3i1s s THR 113 Ca 0.47 1.02 -0.42 0.00 0.31 0.00 0.00 61.69 63.07 3i1s s THR 113 Cb 0.34 -4.56 -0.17 0.00 0.01 0.00 0.00 72.50 68.12 3i1s s THR 113 CO -0.23 -1.09 1.88 -0.81 -0.69 0.00 0.00 174.62 173.69 3i1s n PRO 114 N 8.15 0.52 -3.89 4.92 -0.04 -1.26 -4.92 135.00 138.49 3i1s n PRO 114 Ca 0.12 0.18 -0.31 0.00 -0.04 0.00 0.00 63.50 63.44 3i1s n PRO 114 Cb 0.49 -1.84 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 3i1s n PRO 114 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3i1s s ILE 115 N 4.66 2.93 0.86 0.52 2.07 -1.26 -5.08 121.20 125.89 3i1s s ILE 115 Ca 1.08 -3.48 -0.12 0.00 -1.41 0.00 0.00 60.65 56.72 3i1s s ILE 115 Cb -1.27 -2.97 0.11 0.00 0.13 0.00 0.00 42.46 38.46 3i1s s ILE 115 CO 0.68 -0.87 1.15 -0.81 -1.91 0.00 0.00 174.94 173.18 3i1s n PRO 116 N 2.91 -0.11 -1.53 3.50 -0.04 -1.26 -4.94 135.00 133.53 3i1s n PRO 116 Ca 0.09 0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 3i1s n PRO 116 Cb 0.34 -2.39 0.04 0.00 -0.04 0.00 0.00 33.50 31.44 3i1s n PRO 116 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i1s n HIS 117 N -3.72 2.65 -2.50 0.54 8.25 -1.26 -4.83 115.22 114.35 3i1s n HIS 117 Ca 0.13 -2.44 -0.02 0.00 -0.26 0.00 0.00 57.72 55.12 3i1s n HIS 117 Cb 0.51 -1.28 0.00 0.00 1.12 0.00 0.00 29.99 30.34 3i1s n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i1s n ASN 118 N -0.31 -5.97 0.00 0.41 5.03 -1.26 -5.07 115.26 108.09 3i1s n ASN 118 Ca 0.53 0.10 0.00 0.00 0.87 0.00 0.00 54.58 56.08 3i1s n ASN 118 Cb 0.47 -3.94 0.00 0.00 -1.02 0.00 0.00 39.78 35.28 3i1s n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i1s n GLY 119 N -1.11 0.37 0.00 7.41 0.00 -1.26 -5.08 105.19 105.51 3i1s n GLY 119 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3i1s n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1s s ARG 121 N 0.00 1.73 0.45 0.00 0.52 -1.26 -5.13 118.95 115.26 3i1s s ARG 121 Ca 0.00 -1.19 -0.20 0.00 -0.52 0.00 0.00 55.73 53.82 3i1s s ARG 121 Cb 0.00 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.30 3i1s s ARG 121 CO 0.00 0.48 0.97 -2.14 0.02 0.00 0.00 175.30 174.63 3i1s s PRO 122 N -2.01 4.11 -0.31 3.54 0.02 -1.26 -4.98 135.00 134.11 3i1s s PRO 122 Ca 0.16 1.14 -0.28 0.00 0.02 0.00 0.00 61.00 62.05 3i1s s PRO 122 Cb -0.10 -2.16 -0.03 0.00 0.02 0.00 0.00 34.50 32.23 3i1s s PRO 122 CO 0.08 -0.14 1.91 -1.25 -0.33 0.00 0.00 177.00 177.28 3i1s s PRO 123 N -3.30 3.25 0.18 5.54 0.04 -1.26 -4.89 135.00 134.57 3i1s s PRO 123 Ca 0.63 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 3i1s s PRO 123 Cb -0.10 -4.25 0.14 0.00 0.04 0.00 0.00 34.50 30.33 3i1s s PRO 123 CO 0.16 -1.96 1.33 1.17 0.04 0.00 0.00 177.00 177.74 3i1s n LYS 124 N 8.54 -0.24 0.00 4.56 4.81 -1.26 -4.67 118.16 129.89 3i1s n LYS 124 Ca 0.25 1.32 0.00 0.00 -0.87 0.00 0.00 58.31 59.00 3i1s n LYS 124 Cb 0.47 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.57 3i1s n LYS 124 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i1s n LYS 125 N -5.22 0.00 0.00 1.64 5.02 -1.26 -4.84 118.16 113.50 3i1s n LYS 125 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3i1s n LYS 125 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 3i1s n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1s n ARG 126 N 4.73 0.00 -2.85 1.97 5.12 -1.26 -4.95 116.66 119.42 3i1s n ARG 126 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 3i1s n ARG 126 Cb 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.36 3i1s n ARG 126 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i1s n ARG 127 N 0.10 0.99 0.00 5.56 0.63 -1.26 -5.25 116.66 117.43 3i1s n ARG 127 Ca 0.00 -2.30 0.00 0.00 -0.92 0.00 0.00 57.85 54.63 3i1s n ARG 127 Cb 0.00 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.69 3i1s n ARG 127 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40