#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s s VAL 2 N 0.00 2.10 -0.19 1.12 0.11 -1.26 -1.60 120.40 120.68 3i1s s VAL 2 Ca 0.00 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 3i1s s VAL 2 Cb 0.00 -3.03 0.12 0.00 -1.53 0.00 0.00 36.38 31.94 3i1s s VAL 2 CO 0.00 -0.01 0.99 0.28 -3.33 0.00 0.00 175.10 173.02 3i1s s THR 3 N -1.39 0.00 -0.26 5.04 -1.32 -0.81 -2.97 115.64 113.93 3i1s s THR 3 Ca 0.80 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 61.19 3i1s s THR 3 Cb -0.38 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.58 3i1s s THR 3 CO 0.41 0.00 0.12 -0.63 -2.21 0.00 0.00 174.62 172.31 3i1s s ILE 4 N -0.71 4.76 0.00 5.08 1.09 -0.63 -2.12 121.20 128.68 3i1s s ILE 4 Ca -0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.52 3i1s s ILE 4 Cb -0.02 -3.25 0.00 0.00 -1.06 0.00 0.00 42.46 38.14 3i1s s ILE 4 CO -0.00 0.30 0.00 -2.11 -0.10 0.00 0.00 174.94 173.03 3i1s n ARG 5 N 4.95 0.00 -4.60 2.79 1.85 -1.21 -1.08 116.66 119.35 3i1s n ARG 5 Ca -0.15 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.47 3i1s n ARG 5 Cb 0.52 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.77 3i1s n ARG 5 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 3i1s s LEU 6 N 0.00 1.85 -0.17 2.89 0.05 -1.26 -0.35 118.68 121.68 3i1s s LEU 6 Ca 0.00 -0.26 -0.06 0.00 0.05 0.00 0.00 54.13 53.86 3i1s s LEU 6 Cb 0.00 -0.74 -0.03 0.00 -2.05 0.00 0.00 46.19 43.36 3i1s s LEU 6 CO 0.00 0.11 0.02 0.00 -0.55 0.00 0.00 176.35 175.92 3i1s s ALA 7 N 0.11 3.22 -0.37 1.48 0.00 -1.19 -4.76 121.76 120.24 3i1s s ALA 7 Ca -0.03 -0.78 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 3i1s s ALA 7 Cb -0.10 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 3i1s s ALA 7 CO 0.01 0.19 1.74 0.50 0.00 0.00 0.00 175.76 178.19 3i1s s ARG 8 N 0.38 3.30 0.00 0.00 3.52 -1.26 -2.84 118.95 122.05 3i1s s ARG 8 Ca -0.00 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.85 3i1s s ARG 8 Cb -0.13 -4.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.07 3i1s s ARG 8 CO 0.01 -1.90 0.00 0.72 -0.81 0.00 0.00 175.30 173.33 3i1s n HIS 9 N 10.29 0.00 0.00 5.12 8.25 -0.12 -4.90 115.22 133.85 3i1s n HIS 9 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3i1s n HIS 9 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 3i1s n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1s n GLY 10 N 5.00 3.24 3.80 -1.41 0.00 -1.13 -4.11 105.19 110.58 3i1s n GLY 10 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 3i1s n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1s s ALA 11 N -1.00 -1.66 -0.01 4.61 0.00 0.47 -4.84 121.76 119.32 3i1s s ALA 11 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 3i1s s ALA 11 Cb 0.00 0.67 -0.08 0.00 0.00 0.00 0.00 23.12 23.71 3i1s s ALA 11 CO 0.00 -1.05 2.01 0.21 0.00 0.00 0.00 175.76 176.93 3i1s s LYS 12 N -2.76 3.95 -0.91 0.00 2.20 -1.26 -1.09 119.74 119.87 3i1s s LYS 12 Ca 0.16 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 3i1s s LYS 12 Cb -0.01 -4.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.10 3i1s s LYS 12 CO 0.03 -1.17 0.00 1.63 -0.36 0.00 0.00 175.35 175.48 3i1s n LYS 13 N 7.77 -1.26 -2.99 4.03 4.76 -1.26 -4.88 118.16 124.32 3i1s n LYS 13 Ca 0.22 0.74 -0.17 0.00 -2.87 0.00 0.00 58.31 56.23 3i1s n LYS 13 Cb 0.42 -4.88 -0.02 0.00 -1.84 0.00 0.00 35.03 28.71 3i1s n LYS 13 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1s n ARG 14 N -1.41 0.72 -1.40 1.97 1.74 -0.25 -5.15 116.66 112.87 3i1s n ARG 14 Ca -0.09 -2.54 -0.30 0.00 -0.77 0.00 0.00 57.85 54.16 3i1s n ARG 14 Cb 0.45 -1.35 0.11 0.00 -1.02 0.00 0.00 32.46 30.65 3i1s n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i1s s PRO 15 N -0.26 1.72 -0.29 5.56 0.04 -1.20 -0.40 135.00 140.17 3i1s s PRO 15 Ca 0.33 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3i1s s PRO 15 Cb 0.19 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 33.04 3i1s s PRO 15 CO -0.17 -1.90 0.56 0.12 0.04 0.00 0.00 177.00 175.65 3i1s s PHE 16 N -3.06 -1.54 0.81 0.56 2.19 -1.26 -4.67 117.98 111.01 3i1s s PHE 16 Ca 0.62 1.43 -0.05 0.00 0.33 0.00 0.00 56.93 59.25 3i1s s PHE 16 Cb -0.16 0.42 0.16 0.00 -1.31 0.00 0.00 43.02 42.14 3i1s s PHE 16 CO 0.55 -0.91 1.11 0.71 1.83 0.00 0.00 175.22 178.52 3i1s s TYR 17 N 2.80 1.40 -0.37 10.12 1.51 -0.76 -0.95 117.35 131.11 3i1s s TYR 17 Ca 0.17 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.09 3i1s s TYR 17 Cb -0.14 -3.36 0.18 0.00 -0.11 0.00 0.00 41.96 38.54 3i1s s TYR 17 CO -0.22 -2.09 0.78 -0.65 -1.11 0.00 0.00 175.55 172.25 3i1s s GLN 18 N -5.40 0.56 0.16 -0.62 -0.21 -1.13 -3.16 119.66 109.86 3i1s s GLN 18 Ca 0.70 -0.10 -0.33 0.00 0.02 0.00 0.00 55.36 55.65 3i1s s GLN 18 Cb -0.04 0.09 -0.16 0.00 1.00 0.00 0.00 33.01 33.90 3i1s s GLN 18 CO 0.47 -0.84 1.16 1.55 -2.12 0.00 0.00 175.29 175.52 3i1s n VAL 19 N 4.33 0.83 -3.63 1.09 3.14 -1.12 -3.19 118.33 119.77 3i1s n VAL 19 Ca 0.09 -0.21 -0.14 0.00 -2.96 0.00 0.00 64.34 61.12 3i1s n VAL 19 Cb 0.59 -0.81 -0.07 0.00 -1.06 0.00 0.00 33.84 32.48 3i1s n VAL 19 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3i1s s VAL 20 N -0.15 0.00 0.15 1.55 0.11 0.52 -2.51 120.40 120.07 3i1s s VAL 20 Ca 0.74 -0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.49 3i1s s VAL 20 Cb -0.87 -0.98 -0.07 0.00 -1.53 0.00 0.00 36.38 32.93 3i1s s VAL 20 CO 0.52 -0.00 1.16 -0.69 -3.33 0.00 0.00 175.10 172.76 3i1s s VAL 21 N 0.32 3.80 -0.18 2.04 1.01 -0.57 -3.34 120.40 123.48 3i1s s VAL 21 Ca -0.00 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.14 3i1s s VAL 21 Cb -0.05 -3.94 0.14 0.00 0.00 0.00 0.00 36.38 32.54 3i1s s VAL 21 CO 0.01 0.21 1.09 0.00 0.00 0.00 0.00 175.10 176.41 3i1s s ALA 22 N 0.16 -1.98 -0.03 5.51 0.00 -0.90 0.14 121.76 124.66 3i1s s ALA 22 Ca 0.53 1.60 -0.30 0.00 0.00 0.00 0.00 51.96 53.79 3i1s s ALA 22 Cb -0.31 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 3i1s s ALA 22 CO 0.34 -0.36 1.70 0.34 0.00 0.00 0.00 175.76 177.78 3i1s s ASP 23 N -1.34 6.63 0.54 0.00 -1.08 -1.26 -1.93 116.67 118.23 3i1s s ASP 23 Ca 0.02 2.32 0.24 0.00 -0.52 0.00 0.00 52.55 54.62 3i1s s ASP 23 Cb -0.01 -2.54 1.43 0.00 -1.46 0.00 0.00 42.92 40.35 3i1s s ASP 23 CO -0.02 -0.94 2.05 0.77 0.52 0.00 0.00 175.17 177.55 3i1s h SER 24 N 9.62 0.00 0.00 -0.34 4.64 -1.62 -1.94 113.55 123.91 3i1s h SER 24 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3i1s h SER 24 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3i1s h SER 24 CO 0.95 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.45 3i1s n ARG 25 N -4.25 0.58 -1.24 4.77 1.74 -1.26 -4.69 116.66 112.30 3i1s n ARG 25 Ca 0.05 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.12 3i1s n ARG 25 Cb 0.43 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 3i1s n ARG 25 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i1s n ASN 26 N -0.41 0.35 -4.82 0.55 5.03 -0.73 -5.11 115.26 110.12 3i1s n ASN 26 Ca 0.00 -1.11 -0.31 0.00 0.87 0.00 0.00 54.58 54.03 3i1s n ASN 26 Cb 0.02 -0.02 0.06 0.00 -1.02 0.00 0.00 39.78 38.81 3i1s n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i1s s ALA 27 N -2.05 2.60 0.07 5.41 0.00 -1.26 -4.96 121.76 121.57 3i1s s ALA 27 Ca 0.04 0.02 -0.34 0.00 0.00 0.00 0.00 51.96 51.68 3i1s s ALA 27 Cb -0.00 -3.16 -0.17 0.00 0.00 0.00 0.00 23.12 19.79 3i1s s ALA 27 CO 0.02 -1.32 1.52 -0.09 0.00 0.00 0.00 175.76 175.89 3i1s h ARG 28 N -0.79 -0.96 -0.96 0.00 2.43 -1.96 -3.03 114.38 109.10 3i1s h ARG 28 Ca -0.44 0.07 -0.61 0.00 -0.81 0.00 0.00 59.98 58.18 3i1s h ARG 28 Cb 1.22 0.22 -0.30 0.00 -0.42 0.00 0.00 29.97 30.69 3i1s h ARG 28 CO 0.57 -0.64 0.68 0.09 -1.51 0.00 0.00 179.97 179.16 3i1s n ASN 29 N -5.32 6.25 0.00 -3.80 4.13 -1.26 -4.61 115.26 110.65 3i1s n ASN 29 Ca -0.12 -3.74 0.00 0.00 1.68 0.00 0.00 54.58 52.40 3i1s n ASN 29 Cb 0.44 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 3i1s n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i1s n GLY 30 N -0.98 2.66 3.60 7.41 0.00 -1.15 -4.99 105.19 111.74 3i1s n GLY 30 Ca 0.60 -1.74 -0.54 0.00 0.00 0.00 0.00 46.02 44.34 3i1s n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1s n ARG 31 N 0.00 1.26 -4.53 1.61 0.63 -1.26 -4.93 116.66 109.44 3i1s n ARG 31 Ca 0.00 0.43 -0.32 0.00 -0.92 0.00 0.00 57.85 57.04 3i1s n ARG 31 Cb 0.00 -2.29 -0.16 0.00 0.45 0.00 0.00 32.46 30.45 3i1s n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3i1s s PHE 32 N 5.00 2.60 0.09 -0.14 -0.12 -1.26 -4.65 117.98 119.49 3i1s s PHE 32 Ca 1.02 -1.35 -0.36 0.00 -0.05 0.00 0.00 56.93 56.19 3i1s s PHE 32 Cb -0.95 -1.79 -0.17 0.00 -0.63 0.00 0.00 43.02 39.48 3i1s s PHE 32 CO 0.58 -0.64 1.56 0.82 -0.05 0.00 0.00 175.22 177.50 3i1s h ILE 33 N 5.87 0.01 -2.38 -4.49 2.04 0.91 -3.45 117.51 116.02 3i1s h ILE 33 Ca -0.35 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 3i1s h ILE 33 Cb 1.18 0.01 -0.23 0.00 -0.74 0.00 0.00 36.82 37.04 3i1s h ILE 33 CO 0.56 0.00 -0.07 -1.83 0.00 0.00 0.00 178.15 176.81 3i1s s GLU 34 N -5.86 0.64 0.42 2.37 -1.05 -0.70 -4.99 118.70 109.53 3i1s s GLU 34 Ca -0.18 0.80 -0.26 0.00 -0.15 0.00 0.00 54.97 55.18 3i1s s GLU 34 Cb 0.05 0.29 -0.09 0.00 -0.44 0.00 0.00 34.13 33.93 3i1s s GLU 34 CO 0.61 -0.09 1.44 0.50 0.95 0.00 0.00 175.26 178.67 3i1s s ARG 35 N 0.44 3.84 -0.46 -4.83 3.00 -1.26 -1.51 118.95 118.17 3i1s s ARG 35 Ca -0.01 2.46 0.05 0.00 -1.00 0.00 0.00 55.73 57.23 3i1s s ARG 35 Cb -0.04 -2.77 0.19 0.00 0.00 0.00 0.00 34.95 32.33 3i1s s ARG 35 CO -0.01 -0.71 0.76 0.54 0.00 0.00 0.00 175.30 175.88 3i1s s VAL 36 N -1.18 -0.87 0.00 7.11 0.11 -1.04 -4.88 120.40 119.65 3i1s s VAL 36 Ca 0.58 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 3i1s s VAL 36 Cb -0.44 0.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 3i1s s VAL 36 CO 0.58 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 3i1s n GLY 37 N 3.37 -1.06 3.30 6.54 0.00 -1.26 -4.39 105.19 111.69 3i1s n GLY 37 Ca 0.15 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 3i1s n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i1s s PHE 38 N -2.69 -0.56 0.08 1.61 -0.12 -0.41 -2.79 117.98 113.11 3i1s s PHE 38 Ca 0.00 1.24 0.06 0.00 -0.05 0.00 0.00 56.93 58.18 3i1s s PHE 38 Cb 0.00 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 3i1s s PHE 38 CO 0.00 -0.30 -0.09 0.12 -0.05 0.00 0.00 175.22 174.90 3i1s s PHE 39 N 0.90 2.78 -0.21 3.49 5.36 -1.19 -2.43 117.98 126.68 3i1s s PHE 39 Ca -0.05 -0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 55.74 3i1s s PHE 39 Cb -0.06 -1.48 0.11 0.00 -0.34 0.00 0.00 43.02 41.25 3i1s s PHE 39 CO -0.07 0.41 0.38 1.21 -1.46 0.00 0.00 175.22 175.69 3i1s s ASN 40 N -2.02 0.04 -1.58 6.13 2.47 -0.75 -1.83 114.94 117.39 3i1s s ASN 40 Ca 0.21 0.61 -0.10 0.00 0.42 0.00 0.00 52.86 53.99 3i1s s ASN 40 Cb -0.11 1.17 -0.07 0.00 -1.45 0.00 0.00 41.25 40.79 3i1s s ASN 40 CO 0.12 -0.26 2.84 -2.65 -3.72 0.00 0.00 177.10 173.43 3i1s n PRO 41 N 5.37 3.53 0.00 0.43 -0.02 -1.26 -4.38 135.00 138.68 3i1s n PRO 41 Ca -0.06 -2.23 0.00 0.00 -2.02 0.00 0.00 63.50 59.19 3i1s n PRO 41 Cb 0.50 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 3i1s n PRO 41 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i1s n ILE 42 N 3.81 0.00 -0.89 4.25 2.08 -1.26 -5.06 119.36 122.29 3i1s n ILE 42 Ca 0.74 0.00 0.11 0.00 0.56 0.00 0.00 62.75 64.16 3i1s n ILE 42 Cb 0.25 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.11 3i1s n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1s n ALA 43 N -3.00 -2.92 -2.50 -1.39 0.00 -1.26 -4.68 120.51 104.76 3i1s n ALA 43 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 53.44 53.65 3i1s n ALA 43 Cb 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 19.45 18.57 3i1s n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i1s n SER 44 N -4.36 2.24 -3.82 0.00 7.64 -1.26 -4.96 113.62 109.09 3i1s n SER 44 Ca 0.01 -2.55 -0.30 0.00 1.01 0.00 0.00 58.87 57.04 3i1s n SER 44 Cb 0.37 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 63.14 3i1s n SER 44 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1s n GLU 45 N -0.47 -3.57 0.00 1.43 1.02 -1.26 -4.90 120.64 112.89 3i1s n GLU 45 Ca 0.16 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3i1s n GLU 45 Cb 0.89 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 27.13 3i1s n GLU 45 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i1s n LYS 46 N -4.14 0.00 0.28 3.49 -0.00 -1.26 -5.03 118.16 111.50 3i1s n LYS 46 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.23 3i1s n LYS 46 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.49 3i1s n LYS 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3i1s h GLU 47 N 0.00 -0.72 0.00 -1.58 4.39 -2.03 -3.49 114.58 111.15 3i1s h GLU 47 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3i1s h GLU 47 Cb 0.00 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3i1s h GLU 47 CO 0.00 -0.48 0.00 -1.91 -1.16 0.00 0.00 179.01 175.46 3i1s n GLU 48 N -4.70 0.08 0.00 2.33 2.13 -1.26 -5.02 120.64 114.20 3i1s n GLU 48 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 3i1s n GLU 48 Cb 0.29 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.00 3i1s n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i1s n GLY 49 N 0.14 0.40 2.83 8.31 0.00 -1.26 -4.61 105.19 110.99 3i1s n GLY 49 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3i1s n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1s s THR 50 N 0.00 -0.37 -0.05 2.61 2.01 -1.26 -1.82 115.64 116.76 3i1s s THR 50 Ca 0.00 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 3i1s s THR 50 Cb 0.00 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 71.89 3i1s s THR 50 CO 0.00 -0.11 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.09 3i1s s ARG 51 N 2.37 1.61 -0.00 4.92 6.06 -1.02 -5.02 118.95 127.87 3i1s s ARG 51 Ca 0.06 -0.47 0.02 0.00 -2.50 0.00 0.00 55.73 52.84 3i1s s ARG 51 Cb -0.15 -1.38 -0.03 0.00 0.06 0.00 0.00 34.95 33.46 3i1s s ARG 51 CO -0.11 0.12 0.10 -0.11 -2.50 0.00 0.00 175.30 172.80 3i1s n LEU 52 N 3.47 0.11 -3.97 -0.88 7.94 -1.26 -1.29 117.00 121.12 3i1s n LEU 52 Ca -0.20 -0.50 -0.27 0.00 -1.11 0.00 0.00 56.01 53.92 3i1s n LEU 52 Cb 0.53 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.47 3i1s n LEU 52 CO 0.25 0.03 -0.14 0.47 -1.11 0.00 0.00 177.39 176.89 3i1s n ASP 53 N -1.06 -1.44 0.00 1.96 8.00 -1.26 -4.49 116.55 118.26 3i1s n ASP 53 Ca 0.00 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.54 3i1s n ASP 53 Cb 0.04 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 3i1s n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1s n LEU 54 N -4.41 0.00 0.00 0.64 -0.00 -1.26 -2.72 117.00 109.25 3i1s n LEU 54 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 3i1s n LEU 54 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 3i1s n LEU 54 CO 0.76 0.00 0.00 -0.90 -0.00 0.00 0.00 177.39 177.25 3i1s n ASP 55 N 0.00 0.00 -0.27 1.45 5.68 -1.26 0.21 116.55 122.36 3i1s n ASP 55 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.37 3i1s n ASP 55 Cb 0.00 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.20 3i1s n ASP 55 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3i1s h ARG 56 N 0.00 0.37 0.19 0.11 2.47 -1.87 0.37 114.38 116.02 3i1s h ARG 56 Ca 0.00 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3i1s h ARG 56 Cb 0.00 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.19 3i1s h ARG 56 CO 0.00 0.25 -0.44 0.82 0.56 0.00 0.00 179.97 181.16 3i1s h ILE 57 N 0.39 0.13 -0.72 2.04 1.08 0.23 -2.87 117.51 117.78 3i1s h ILE 57 Ca 0.46 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 65.00 3i1s h ILE 57 Cb 0.77 0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 3i1s h ILE 57 CO -0.47 0.00 0.48 0.00 -0.69 0.00 0.00 178.15 177.47 3i1s h ALA 58 N -0.32 1.75 0.31 1.87 0.00 -0.89 -2.24 119.26 119.73 3i1s h ALA 58 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i1s h ALA 58 Cb 0.72 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3i1s h ALA 58 CO -0.21 0.12 -0.49 1.25 0.00 0.00 0.00 179.25 179.92 3i1s h HIS 59 N 0.71 -1.38 -0.82 0.00 -0.00 -0.19 0.77 115.15 114.25 3i1s h HIS 59 Ca 0.32 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.72 3i1s h HIS 59 Cb 0.33 0.56 -0.04 0.00 -0.00 0.00 0.00 27.41 28.26 3i1s h HIS 59 CO -0.00 -0.60 0.53 -1.49 -0.00 0.00 0.00 177.93 176.37 3i1s h TRP 60 N -0.84 1.04 -0.97 5.26 4.06 -1.39 0.11 115.95 123.22 3i1s h TRP 60 Ca -0.04 0.02 0.04 0.00 2.06 0.00 0.00 58.89 60.98 3i1s h TRP 60 Cb 0.77 -0.35 -0.06 0.00 -1.00 0.00 0.00 29.16 28.52 3i1s h TRP 60 CO -0.34 0.66 0.63 0.28 -3.56 0.00 0.00 178.44 176.12 3i1s h VAL 61 N 1.11 1.14 0.00 1.49 2.07 -1.18 -0.51 116.25 120.38 3i1s h VAL 61 Ca 0.30 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3i1s h VAL 61 Cb -0.11 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.48 3i1s h VAL 61 CO -0.06 0.22 -0.07 0.61 0.02 0.00 0.00 177.57 178.29 3i1s n GLY 62 N -1.36 2.30 0.64 2.17 0.00 0.27 -2.71 105.19 106.49 3i1s n GLY 62 Ca 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 3i1s n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1s n GLN 63 N 1.86 0.00 -2.33 1.61 7.27 -0.21 -4.93 117.38 120.65 3i1s n GLN 63 Ca 0.10 -0.25 -0.07 0.00 0.07 0.00 0.00 57.00 56.85 3i1s n GLN 63 Cb 0.51 0.50 0.03 0.00 2.41 0.00 0.00 30.24 33.69 3i1s n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i1s n GLY 64 N -0.00 -0.04 2.96 1.69 0.00 -1.10 -4.99 105.19 103.71 3i1s n GLY 64 Ca -0.07 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3i1s n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1s s ALA 65 N -3.18 2.23 1.00 4.61 0.00 -1.21 -4.69 121.76 120.52 3i1s s ALA 65 Ca 0.20 -1.73 -0.19 0.00 0.00 0.00 0.00 51.96 50.24 3i1s s ALA 65 Cb -0.03 -1.60 -0.14 0.00 0.00 0.00 0.00 23.12 21.36 3i1s s ALA 65 CO 0.34 -1.35 -0.84 2.41 0.00 0.00 0.00 175.76 176.32 3i1s n THR 66 N 4.55 0.00 -3.39 0.00 -1.04 -1.16 -4.65 114.28 108.59 3i1s n THR 66 Ca -0.08 -0.35 -0.07 0.00 -2.04 0.00 0.00 64.05 61.51 3i1s n THR 66 Cb 0.43 -0.08 -0.07 0.00 -1.82 0.00 0.00 70.33 68.79 3i1s n THR 66 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3i1s s ILE 67 N -2.04 -0.66 0.39 12.58 2.07 -1.26 -1.60 121.20 130.67 3i1s s ILE 67 Ca 0.41 -0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.39 3i1s s ILE 67 Cb -0.12 -0.81 -0.12 0.00 0.13 0.00 0.00 42.46 41.55 3i1s s ILE 67 CO 0.77 -0.07 0.94 -0.24 -1.91 0.00 0.00 174.94 174.43 3i1s n SER 68 N 5.38 0.93 -0.21 4.50 2.88 -0.24 -4.57 113.62 122.28 3i1s n SER 68 Ca -0.04 1.05 0.02 0.00 -1.33 0.00 0.00 58.87 58.57 3i1s n SER 68 Cb 0.50 -1.30 0.13 0.00 -0.75 0.00 0.00 64.21 62.79 3i1s n SER 68 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3i1s h ASP 69 N 1.51 -0.05 -0.36 -3.46 -0.00 -1.98 0.12 116.42 112.21 3i1s h ASP 69 Ca -0.43 0.13 -0.10 0.00 -0.00 0.00 0.00 57.03 56.64 3i1s h ASP 69 Cb 1.35 0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 40.85 3i1s h ASP 69 CO 0.57 -0.03 -0.11 -0.09 -0.00 0.00 0.00 179.24 179.58 3i1s h ARG 70 N 0.24 0.80 0.04 4.15 9.65 -1.98 0.21 114.38 127.49 3i1s h ARG 70 Ca 0.35 -0.27 -0.14 0.00 -1.10 0.00 0.00 59.98 58.81 3i1s h ARG 70 Cb 0.55 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.08 3i1s h ARG 70 CO -0.46 0.88 -0.58 -0.24 2.80 0.00 0.00 179.97 182.36 3i1s h VAL 71 N 0.72 1.49 0.00 0.20 3.04 -1.69 0.33 116.25 120.34 3i1s h VAL 71 Ca 0.12 -2.21 -0.00 0.00 -1.01 0.00 0.00 66.70 63.60 3i1s h VAL 71 Cb 0.60 2.85 -0.00 0.00 -2.01 0.00 0.00 31.29 32.73 3i1s h VAL 71 CO 0.04 0.63 -0.00 0.00 -1.01 0.00 0.00 177.57 177.23 3i1s h ALA 72 N 0.22 1.74 -0.26 3.17 0.00 -0.77 0.03 119.26 123.40 3i1s h ALA 72 Ca -0.09 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3i1s h ALA 72 Cb 1.35 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i1s h ALA 72 CO 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 179.25 179.07 3i1s h ALA 73 N 2.00 0.38 -0.20 0.00 0.00 -0.34 -1.43 119.26 119.67 3i1s h ALA 73 Ca -0.00 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.55 3i1s h ALA 73 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3i1s h ALA 73 CO 0.00 0.40 -0.13 -0.07 0.00 0.00 0.00 179.25 179.45 3i1s h LEU 74 N 0.37 -0.42 -0.73 0.00 3.38 0.85 0.17 115.31 118.93 3i1s h LEU 74 Ca 0.04 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3i1s h LEU 74 Cb 0.87 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 3i1s h LEU 74 CO 0.07 -0.17 0.38 0.40 0.09 0.00 0.00 178.44 179.21 3i1s h ILE 75 N -0.12 0.87 -0.26 1.22 2.04 -1.03 1.07 117.51 121.28 3i1s h ILE 75 Ca 0.11 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3i1s h ILE 75 Cb 0.29 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3i1s h ILE 75 CO -0.27 0.12 0.18 0.11 0.00 0.00 0.00 178.15 178.28 3i1s h LYS 76 N 0.65 0.26 0.00 2.37 1.79 -0.10 -2.19 116.57 119.34 3i1s h LYS 76 Ca 0.36 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3i1s h LYS 76 Cb 0.36 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3i1s h LYS 76 CO -0.26 0.17 -0.73 0.39 -1.08 0.00 0.00 179.45 177.94 3i1s n GLU 77 N -4.50 0.09 0.00 3.15 1.02 0.15 -3.75 120.64 116.80 3i1s n GLU 77 Ca 0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3i1s n GLU 77 Cb 0.14 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3i1s n GLU 77 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i1s n VAL 78 N -1.66 0.39 -1.19 2.62 0.31 0.32 -4.71 118.33 114.41 3i1s n VAL 78 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.31 3i1s n VAL 78 Cb 0.37 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 32.64 3i1s n VAL 78 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3i1s n ASN 79 N 0.38 -5.60 -0.18 4.52 5.15 -1.25 -5.05 115.26 113.24 3i1s n ASN 79 Ca 0.00 0.16 0.15 0.00 -0.60 0.00 0.00 54.58 54.29 3i1s n ASN 79 Cb 0.28 -3.67 0.79 0.00 -0.53 0.00 0.00 39.78 36.65 3i1s n ASN 79 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95