#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n LEU 2 N 0.00 0.00 0.00 4.03 7.94 -1.26 -4.73 117.00 122.98 3i1n n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i1n n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3i1n n LEU 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 3i1n n GLN 3 N 2.60 0.00 -1.64 1.96 10.64 -1.26 -4.84 117.38 124.84 3i1n n GLN 3 Ca 0.00 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.71 3i1n n GLN 3 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 3i1n n GLN 3 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 3i1n n PRO 4 N -0.71 1.73 0.21 2.61 -0.02 -1.26 -4.82 135.00 132.73 3i1n n PRO 4 Ca 0.00 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 3i1n n PRO 4 Cb 0.00 -2.18 0.60 0.00 -0.02 0.00 0.00 33.50 31.90 3i1n n PRO 4 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3i1n h LYS 5 N 3.53 0.00 -2.82 -0.52 1.57 -2.03 -3.44 116.57 112.86 3i1n h LYS 5 Ca -0.44 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.40 3i1n h LYS 5 Cb 1.30 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.52 3i1n h LYS 5 CO 0.71 0.00 0.29 0.50 -0.57 0.00 0.00 179.45 180.38 3i1n s ARG 6 N -3.51 1.43 -0.04 3.15 3.52 -1.26 -5.19 118.95 117.05 3i1n s ARG 6 Ca 0.03 -0.69 -0.25 0.00 -0.13 0.00 0.00 55.73 54.69 3i1n s ARG 6 Cb 0.09 0.55 0.05 0.00 -1.56 0.00 0.00 34.95 34.08 3i1n s ARG 6 CO 0.48 -0.64 0.54 0.95 -0.81 0.00 0.00 175.30 175.81 3i1n s THR 7 N -3.68 0.02 -0.14 4.11 -4.23 -1.26 -5.03 115.64 105.43 3i1n s THR 7 Ca 0.07 -0.18 0.27 0.00 -1.18 0.00 0.00 61.69 60.67 3i1n s THR 7 Cb -0.03 -0.85 0.33 0.00 1.34 0.00 0.00 72.50 73.29 3i1n s THR 7 CO -0.02 -0.10 1.77 0.11 -0.54 0.00 0.00 174.62 175.84 3i1n h LYS 8 N 3.36 0.00 -4.12 3.99 6.56 -2.03 -3.44 116.57 120.90 3i1n h LYS 8 Ca -0.28 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.09 3i1n h LYS 8 Cb 1.15 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.59 3i1n h LYS 8 CO 0.39 0.07 -0.72 -0.06 -2.06 0.00 0.00 179.45 177.07 3i1n s PHE 9 N -3.42 0.34 0.07 -1.35 0.08 -1.26 -5.06 117.98 107.38 3i1n s PHE 9 Ca 0.04 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.54 3i1n s PHE 9 Cb 0.07 -0.22 -0.21 0.00 -0.57 0.00 0.00 43.02 42.09 3i1n s PHE 9 CO 0.62 -0.12 1.21 -0.09 -0.10 0.00 0.00 175.22 176.74 3i1n h ARG 10 N 4.95 0.68 -5.00 0.44 1.12 -2.03 -3.46 114.38 111.09 3i1n h ARG 10 Ca -0.31 -0.68 -0.40 0.00 -1.11 0.00 0.00 59.98 57.48 3i1n h ARG 10 Cb 1.21 0.18 -0.25 0.00 -0.01 0.00 0.00 29.97 31.09 3i1n h ARG 10 CO 0.43 1.27 -0.78 0.15 -3.11 0.00 0.00 179.97 177.94 3i1n s LYS 11 N -3.42 0.79 0.33 0.20 1.02 -1.26 -4.90 119.74 112.49 3i1n s LYS 11 Ca -0.11 -0.62 0.09 0.00 0.02 0.00 0.00 55.97 55.36 3i1n s LYS 11 Cb 0.07 -0.75 -0.05 0.00 -0.52 0.00 0.00 37.83 36.57 3i1n s LYS 11 CO 0.90 0.19 0.00 -1.64 -0.92 0.00 0.00 175.35 173.88 3i1n s MET 12 N -0.93 2.10 0.00 1.68 -1.94 -1.26 -5.08 119.30 113.87 3i1n s MET 12 Ca 0.00 -1.69 0.00 0.00 -1.71 0.00 0.00 55.69 52.29 3i1n s MET 12 Cb -0.07 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.81 3i1n s MET 12 CO 0.01 0.18 0.55 0.72 -0.01 0.00 0.00 175.02 176.46 3i1n n HIS 13 N -0.94 0.00 0.00 -0.03 8.25 -1.26 -4.86 115.22 116.39 3i1n n HIS 13 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3i1n n HIS 13 Cb 0.62 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3i1n n HIS 13 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3i1n n LYS 14 N -1.68 0.00 0.00 -0.41 4.81 -1.26 -5.08 118.16 114.54 3i1n n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i1n n LYS 14 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i1n n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1n n GLY 15 N 0.00 0.89 3.41 3.14 0.00 -1.26 -4.89 105.19 106.47 3i1n n GLY 15 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 3i1n n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1n s ARG 16 N 0.00 1.89 -0.33 1.61 1.81 -1.26 -5.08 118.95 117.58 3i1n s ARG 16 Ca 0.00 -2.13 0.17 0.00 -1.72 0.00 0.00 55.73 52.04 3i1n s ARG 16 Cb 0.00 -0.12 0.45 0.00 -0.45 0.00 0.00 34.95 34.83 3i1n s ARG 16 CO 0.00 -0.60 0.96 -1.71 -0.68 0.00 0.00 175.30 173.27 3i1n n ASN 17 N -1.52 1.72 -4.90 0.23 5.15 -1.26 -5.10 115.26 109.58 3i1n n ASN 17 Ca 0.01 -2.81 -0.28 0.00 -0.60 0.00 0.00 54.58 50.90 3i1n n ASN 17 Cb 0.63 -0.53 0.05 0.00 -0.53 0.00 0.00 39.78 39.40 3i1n n ASN 17 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3i1n s ARG 18 N -3.14 2.76 0.00 1.20 0.52 -1.26 -4.92 118.95 114.11 3i1n s ARG 18 Ca 0.29 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 3i1n s ARG 18 Cb 0.45 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.79 3i1n s ARG 18 CO 0.02 -0.95 0.00 0.41 0.02 0.00 0.00 175.30 174.79 3i1n n GLY 19 N -2.84 -0.15 3.78 -3.53 0.00 -1.26 -5.02 105.19 96.18 3i1n n GLY 19 Ca 0.06 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 3i1n n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1n s LEU 20 N -1.65 3.25 0.99 0.99 2.01 -1.26 -4.53 118.68 118.47 3i1n s LEU 20 Ca 0.00 1.87 -0.12 0.00 0.01 0.00 0.00 54.13 55.89 3i1n s LEU 20 Cb 0.00 -4.53 0.19 0.00 0.01 0.00 0.00 46.19 41.85 3i1n s LEU 20 CO 0.00 -1.69 1.08 0.00 1.01 0.00 0.00 176.35 176.75 3i1n s ALA 21 N -2.64 0.87 -0.03 4.21 0.00 0.52 -4.90 121.76 119.80 3i1n s ALA 21 Ca 0.63 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 3i1n s ALA 21 Cb -0.18 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3i1n s ALA 21 CO 0.48 -2.89 -0.05 1.04 0.00 0.00 0.00 175.76 174.33 3i1n n GLN 22 N -4.25 0.08 -2.38 0.00 1.13 -1.26 -4.85 117.38 105.85 3i1n n GLN 22 Ca 0.06 0.03 -0.36 0.00 -1.94 0.00 0.00 57.00 54.79 3i1n n GLN 22 Cb 0.55 -0.63 -0.04 0.00 0.11 0.00 0.00 30.24 30.23 3i1n n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3i1n s GLY 23 N -4.99 0.88 0.00 1.08 0.00 -1.26 -4.77 107.32 98.26 3i1n s GLY 23 Ca -0.05 -2.00 0.01 0.00 0.00 0.00 0.00 44.72 42.69 3i1n s GLY 23 CO 0.07 2.97 0.69 -0.37 0.00 0.00 0.00 173.10 176.46 3i1n n THR 24 N 7.24 0.29 -3.81 0.90 5.66 -1.26 -1.09 114.28 122.21 3i1n n THR 24 Ca 0.36 -0.65 -0.12 0.00 -3.05 0.00 0.00 64.05 60.59 3i1n n THR 24 Cb 0.50 0.88 -0.10 0.00 -1.55 0.00 0.00 70.33 70.05 3i1n n THR 24 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3i1n s ASP 25 N -0.38 -0.16 -0.31 1.09 3.84 -1.26 -4.82 116.67 114.68 3i1n s ASP 25 Ca 0.02 0.18 -0.33 0.00 -0.00 0.00 0.00 52.55 52.42 3i1n s ASP 25 Cb 0.01 0.37 -0.09 0.00 -1.38 0.00 0.00 42.92 41.83 3i1n s ASP 25 CO 0.02 -0.27 2.20 0.52 -0.00 0.00 0.00 175.17 177.64 3i1n n VAL 26 N 2.06 0.24 -2.52 2.11 0.31 -1.26 -4.79 118.33 114.47 3i1n n VAL 26 Ca -0.18 -0.32 -0.02 0.00 -0.01 0.00 0.00 64.34 63.81 3i1n n VAL 26 Cb 0.57 -1.92 0.05 0.00 -0.91 0.00 0.00 33.84 31.63 3i1n n VAL 26 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i1n n SER 27 N 10.37 1.90 0.13 4.52 3.41 -1.26 -4.83 113.62 127.85 3i1n n SER 27 Ca 0.38 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 3i1n n SER 27 Cb 0.30 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3i1n n SER 27 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i1n n PHE 28 N -0.34 -2.77 -0.45 7.33 3.72 -1.26 -5.13 117.46 118.57 3i1n n PHE 28 Ca 0.13 0.67 0.00 0.00 -0.05 0.00 0.00 57.45 58.20 3i1n n PHE 28 Cb 0.92 1.62 0.00 0.00 -0.94 0.00 0.00 39.48 41.07 3i1n n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i1n n GLY 29 N 0.19 0.35 0.05 1.37 0.00 -1.26 -4.99 105.19 100.90 3i1n n GLY 29 Ca 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 3i1n n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1n n SER 30 N 0.00 1.86 -4.32 1.61 7.64 0.76 -4.88 113.62 116.29 3i1n n SER 30 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 3i1n n SER 30 Cb 0.00 0.97 -0.11 0.00 -1.01 0.00 0.00 64.21 64.06 3i1n n SER 30 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i1n s PHE 31 N -2.43 1.76 0.30 1.43 0.40 -1.13 -1.14 117.98 117.17 3i1n s PHE 31 Ca -0.06 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 3i1n s PHE 31 Cb 0.05 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 3i1n s PHE 31 CO 0.53 0.30 0.14 0.20 0.70 0.00 0.00 175.22 177.09 3i1n s GLY 32 N -2.64 2.03 -0.36 4.36 0.00 -0.41 -1.62 107.32 108.69 3i1n s GLY 32 Ca 0.15 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 43.14 3i1n s GLY 32 CO 0.06 -1.62 0.11 -2.27 0.00 0.00 0.00 173.10 169.37 3i1n s LEU 33 N -3.39 3.63 0.40 0.66 0.20 -0.15 -2.04 118.68 117.99 3i1n s LEU 33 Ca 0.35 -2.11 -0.07 0.00 0.69 0.00 0.00 54.13 52.99 3i1n s LEU 33 Cb 0.06 -1.30 -0.05 0.00 -0.43 0.00 0.00 46.19 44.46 3i1n s LEU 33 CO 0.16 -0.37 0.72 -0.75 -0.29 0.00 0.00 176.35 175.82 3i1n s LYS 34 N 0.98 3.66 0.00 1.98 2.20 0.29 -0.72 119.74 128.13 3i1n s LYS 34 Ca 0.12 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3i1n s LYS 34 Cb -0.20 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.67 3i1n s LYS 34 CO -0.12 -0.02 0.00 0.00 -0.36 0.00 0.00 175.35 174.85 3i1n n ALA 35 N -1.51 0.00 0.00 3.13 0.00 0.23 -0.37 120.51 121.99 3i1n n ALA 35 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3i1n n ALA 35 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i1n n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1n n VAL 36 N 0.00 0.00 -4.41 0.00 0.31 -1.25 -3.27 118.33 109.71 3i1n n VAL 36 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 3i1n n VAL 36 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 3i1n n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3i1n s GLY 37 N -2.10 1.67 0.56 2.92 0.00 -1.19 -4.75 107.32 104.44 3i1n s GLY 37 Ca 0.00 -1.68 -0.07 0.00 0.00 0.00 0.00 44.72 42.96 3i1n s GLY 37 CO 0.00 -1.74 0.90 -1.60 0.00 0.00 0.00 173.10 170.66 3i1n s ARG 38 N -3.05 3.30 0.00 2.90 3.52 -1.26 -3.44 118.95 120.91 3i1n s ARG 38 Ca 0.23 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 3i1n s ARG 38 Cb -0.06 -2.25 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 3i1n s ARG 38 CO 0.10 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.50 3i1n n GLY 39 N -2.53 0.34 2.73 8.12 0.00 -0.51 -4.92 105.19 108.42 3i1n n GLY 39 Ca 0.03 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 3i1n n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1n s ARG 40 N -2.00 0.02 0.29 1.61 1.70 -1.26 -0.93 118.95 118.39 3i1n s ARG 40 Ca 0.00 0.25 -0.11 0.00 -0.47 0.00 0.00 55.73 55.40 3i1n s ARG 40 Cb 0.00 -0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 33.87 3i1n s ARG 40 CO 0.00 -0.24 0.64 -0.51 -1.08 0.00 0.00 175.30 174.11 3i1n s LEU 41 N 1.59 4.07 -0.22 -1.89 1.43 -0.89 -4.88 118.68 117.90 3i1n s LEU 41 Ca -0.02 1.05 0.14 0.00 -1.03 0.00 0.00 54.13 54.27 3i1n s LEU 41 Cb -0.13 -3.85 0.46 0.00 0.03 0.00 0.00 46.19 42.70 3i1n s LEU 41 CO -0.03 -0.18 1.18 0.35 0.23 0.00 0.00 176.35 177.90 3i1n n THR 42 N -0.47 1.79 0.00 5.49 -2.24 -1.26 0.19 114.28 117.77 3i1n n THR 42 Ca 0.02 -3.18 0.00 0.00 -2.27 0.00 0.00 64.05 58.61 3i1n n THR 42 Cb 0.53 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3i1n n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1n n ALA 43 N -0.61 0.00 -0.23 6.98 0.00 -1.26 -3.60 120.51 121.79 3i1n n ALA 43 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.78 3i1n n ALA 43 Cb 0.89 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.71 3i1n n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n h ARG 44 N 0.00 0.68 0.53 0.00 3.08 -1.87 0.64 114.38 117.44 3i1n h ARG 44 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3i1n h ARG 44 Cb 0.00 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.90 3i1n h ARG 44 CO 0.00 0.45 -0.26 1.96 -1.07 0.00 0.00 179.97 181.06 3i1n h GLN 45 N 0.71 -0.69 -0.91 0.04 4.20 -1.92 0.34 115.11 116.88 3i1n h GLN 45 Ca 0.39 0.05 0.22 0.00 0.06 0.00 0.00 58.65 59.37 3i1n h GLN 45 Cb 0.55 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.37 3i1n h GLN 45 CO -0.16 -0.42 0.42 -0.84 -0.67 0.00 0.00 178.83 177.17 3i1n h ILE 46 N -1.13 0.50 0.73 2.54 -0.00 -1.61 0.79 117.51 119.33 3i1n h ILE 46 Ca -0.07 -0.15 -0.04 0.00 -0.00 0.00 0.00 64.86 64.60 3i1n h ILE 46 Cb 0.59 0.02 0.01 0.00 -0.00 0.00 0.00 36.82 37.44 3i1n h ILE 46 CO 0.12 0.08 -0.35 -0.33 -0.00 0.00 0.00 178.15 177.67 3i1n h GLU 47 N 0.44 -0.94 -0.78 0.16 4.39 0.26 0.50 114.58 118.61 3i1n h GLU 47 Ca 0.56 0.06 0.11 0.00 0.34 0.00 0.00 59.36 60.44 3i1n h GLU 47 Cb 1.05 0.21 -0.12 0.00 -0.10 0.00 0.00 28.75 29.80 3i1n h GLU 47 CO -0.51 -0.61 -0.32 0.00 -1.16 0.00 0.00 179.01 176.41 3i1n n ALA 48 N -2.65 -0.15 0.32 3.43 0.00 0.14 -0.53 120.51 121.06 3i1n n ALA 48 Ca -0.13 0.76 -0.13 0.00 0.00 0.00 0.00 53.44 53.94 3i1n n ALA 48 Cb 0.40 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 3i1n n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n h ALA 49 N 0.98 -1.18 -0.71 0.00 0.00 -1.11 -2.75 119.26 114.49 3i1n h ALA 49 Ca 0.25 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3i1n h ALA 49 Cb 0.44 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 3i1n h ALA 49 CO -0.77 -1.12 -0.38 -2.13 0.00 0.00 0.00 179.25 174.86 3i1n n ARG 50 N -4.28 -0.27 0.03 0.00 0.63 0.28 -0.44 116.66 112.61 3i1n n ARG 50 Ca -0.10 1.08 -0.10 0.00 -0.92 0.00 0.00 57.85 57.81 3i1n n ARG 50 Cb 0.32 -1.60 -0.06 0.00 0.45 0.00 0.00 32.46 31.57 3i1n n ARG 50 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1n h ARG 51 N 0.00 -0.40 -0.76 -0.14 2.47 -0.80 0.22 114.38 114.97 3i1n h ARG 51 Ca 0.15 0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.97 3i1n h ARG 51 Cb 0.33 0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 28.65 3i1n h ARG 51 CO -0.68 -0.26 -0.49 0.00 0.56 0.00 0.00 179.97 179.10 3i1n h ALA 52 N -0.81 -0.49 -0.81 0.04 0.00 -0.44 0.21 119.26 116.96 3i1n h ALA 52 Ca 0.01 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3i1n h ALA 52 Cb 0.45 1.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 3i1n h ALA 52 CO -0.24 -0.82 -0.46 -0.12 0.00 0.00 0.00 179.25 177.60 3i1n n MET 53 N -4.88 -0.34 0.00 0.00 0.00 0.15 -3.49 117.12 108.56 3i1n n MET 53 Ca 0.01 1.22 0.00 0.00 0.00 0.00 0.00 57.70 58.93 3i1n n MET 53 Cb 0.23 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 31.65 3i1n n MET 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 3i1n n THR 54 N -5.02 0.00 -1.51 1.12 -1.04 0.68 -3.69 114.28 104.81 3i1n n THR 54 Ca 0.02 0.62 -0.29 0.00 -2.04 0.00 0.00 64.05 62.37 3i1n n THR 54 Cb 0.22 -1.60 -0.16 0.00 -1.82 0.00 0.00 70.33 66.96 3i1n n THR 54 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i1n n ARG 55 N -0.13 0.18 0.00 -2.82 3.00 -0.90 0.43 116.66 116.42 3i1n n ARG 55 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 3i1n n ARG 55 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 32.46 30.69 3i1n n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1n n ALA 56 N 9.97 0.00 0.99 5.13 0.00 -1.26 -4.75 120.51 130.60 3i1n n ALA 56 Ca 0.61 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.19 3i1n n ALA 56 Cb 0.18 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.23 3i1n n ALA 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1n n VAL 57 N 0.00 0.12 0.00 0.00 0.24 0.17 -4.96 118.33 113.90 3i1n n VAL 57 Ca 0.00 0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3i1n n VAL 57 Cb 0.00 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 3i1n n VAL 57 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i1n n LYS 58 N -1.47 0.00 0.00 7.34 4.01 -1.10 -3.14 118.16 123.80 3i1n n LYS 58 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 3i1n n LYS 58 Cb 0.31 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.83 3i1n n LYS 58 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3i1n n ARG 59 N 14.00 0.00 -0.84 1.97 0.63 -1.26 -4.60 116.66 126.57 3i1n n ARG 59 Ca 0.00 0.43 -0.36 0.00 -0.92 0.00 0.00 57.85 57.01 3i1n n ARG 59 Cb 0.00 -1.30 0.10 0.00 0.45 0.00 0.00 32.46 31.71 3i1n n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1n n GLN 60 N -1.80 -0.82 0.00 -0.14 10.64 -1.19 -4.92 117.38 119.15 3i1n n GLN 60 Ca 0.00 -0.23 0.00 0.00 -1.83 0.00 0.00 57.00 54.94 3i1n n GLN 60 Cb 0.00 -1.34 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 3i1n n GLN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3i1n n GLY 61 N 2.78 -0.68 3.30 2.61 0.00 -1.22 -4.89 105.19 107.09 3i1n n GLY 61 Ca -0.01 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.10 3i1n n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1n s LYS 62 N -1.81 1.19 -0.08 1.61 2.20 -1.26 -4.67 119.74 116.92 3i1n s LYS 62 Ca 0.00 -1.33 -0.01 0.00 -0.36 0.00 0.00 55.97 54.28 3i1n s LYS 62 Cb 0.00 -1.24 0.03 0.00 -1.51 0.00 0.00 37.83 35.11 3i1n s LYS 62 CO 0.00 0.25 -0.03 0.42 -0.36 0.00 0.00 175.35 175.64 3i1n s ILE 63 N -1.92 0.58 -0.08 5.43 1.01 -1.26 -1.05 121.20 123.91 3i1n s ILE 63 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 3i1n s ILE 63 Cb -0.06 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 3i1n s ILE 63 CO 0.05 0.28 0.09 0.26 0.00 0.00 0.00 174.94 175.63 3i1n s TRP 64 N 1.72 3.40 -0.24 3.97 0.51 0.13 -4.97 118.94 123.46 3i1n s TRP 64 Ca 0.02 0.35 -0.02 0.00 -2.12 0.00 0.00 56.10 54.33 3i1n s TRP 64 Cb -0.13 -1.85 0.02 0.00 -0.81 0.00 0.00 33.47 30.71 3i1n s TRP 64 CO -0.05 0.61 -0.05 0.42 -0.51 0.00 0.00 176.95 177.37 3i1n s ILE 65 N -1.04 3.03 -0.09 2.03 1.01 -1.26 -0.47 121.20 124.41 3i1n s ILE 65 Ca 0.17 -0.89 0.14 0.00 0.00 0.00 0.00 60.65 60.06 3i1n s ILE 65 Cb -0.12 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 3i1n s ILE 65 CO 0.07 0.24 1.25 0.03 0.00 0.00 0.00 174.94 176.53 3i1n h ARG 66 N 8.05 0.00 -6.32 2.79 2.47 -1.27 -3.47 114.38 116.63 3i1n h ARG 66 Ca -0.35 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 57.91 3i1n h ARG 66 Cb 1.12 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.44 3i1n h ARG 66 CO 0.59 0.56 -0.34 0.14 0.56 0.00 0.00 179.97 181.47 3i1n s VAL 67 N -2.89 5.02 -0.30 2.04 -7.23 -1.25 -5.07 120.40 110.73 3i1n s VAL 67 Ca 0.02 -0.82 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 3i1n s VAL 67 Cb 0.08 -3.79 0.14 0.00 0.56 0.00 0.00 36.38 33.37 3i1n s VAL 67 CO 0.78 -0.37 0.63 0.12 -0.31 0.00 0.00 175.10 175.95 3i1n s PHE 68 N -2.12 -1.36 0.00 2.82 5.36 -1.26 -5.11 117.98 116.31 3i1n s PHE 68 Ca 0.38 2.23 0.00 0.00 -0.96 0.00 0.00 56.93 58.58 3i1n s PHE 68 Cb -0.09 0.76 0.00 0.00 -0.34 0.00 0.00 43.02 43.35 3i1n s PHE 68 CO 0.32 -0.69 0.19 -2.30 -1.46 0.00 0.00 175.22 171.28 3i1n n PRO 69 N 5.45 0.00 0.00 10.12 -0.02 -1.26 -4.72 135.00 144.56 3i1n n PRO 69 Ca -0.11 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3i1n n PRO 69 Cb 0.49 -0.40 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 3i1n n PRO 69 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i1n n ASP 70 N -0.62 0.00 -4.63 2.55 5.68 -1.26 -3.65 116.55 114.62 3i1n n ASP 70 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.90 3i1n n ASP 70 Cb 0.00 -0.33 -0.08 0.00 -1.14 0.00 0.00 41.12 39.57 3i1n n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3i1n s LYS 71 N 0.00 4.07 0.11 0.11 2.20 -0.75 -4.95 119.74 120.53 3i1n s LYS 71 Ca 0.00 0.14 -0.34 0.00 -0.36 0.00 0.00 55.97 55.41 3i1n s LYS 71 Cb 0.00 -3.62 -0.13 0.00 -1.51 0.00 0.00 37.83 32.57 3i1n s LYS 71 CO 0.00 -0.22 1.57 -1.35 -0.36 0.00 0.00 175.35 174.99 3i1n h PRO 72 N 7.90 -0.73 -5.28 4.03 0.11 -1.83 0.32 132.00 136.52 3i1n h PRO 72 Ca -0.32 0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.84 3i1n h PRO 72 Cb 1.16 0.17 -0.08 0.00 0.11 0.00 0.00 31.00 32.36 3i1n h PRO 72 CO 0.68 -0.48 -1.21 -0.89 -0.21 0.00 0.00 178.00 175.88 3i1n n ILE 73 N -5.49-10.49 -2.81 4.15 2.08 -1.26 -3.99 119.36 101.55 3i1n n ILE 73 Ca -0.08 2.07 -0.20 0.00 0.56 0.00 0.00 62.75 65.09 3i1n n ILE 73 Cb 0.41 -5.90 0.05 0.00 -0.75 0.00 0.00 39.64 33.45 3i1n n ILE 73 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3i1n s THR 74 N -0.83 2.56 -0.25 1.39 -4.23 -1.26 -2.56 115.64 110.46 3i1n s THR 74 Ca -0.17 -0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 3i1n s THR 74 Cb 0.01 -2.75 0.13 0.00 1.34 0.00 0.00 72.50 71.23 3i1n s THR 74 CO 0.64 0.00 0.49 -0.70 -0.54 0.00 0.00 174.62 174.51 3i1n s GLU 75 N -4.70 0.42 -0.01 3.99 2.56 -0.98 -4.85 118.70 115.14 3i1n s GLU 75 Ca 0.59 1.00 -0.30 0.00 0.00 0.00 0.00 54.97 56.26 3i1n s GLU 75 Cb -0.08 0.29 -0.04 0.00 2.00 0.00 0.00 34.13 36.30 3i1n s GLU 75 CO 0.38 -0.39 1.19 0.21 -0.56 0.00 0.00 175.26 176.08 3i1n s LYS 76 N 2.70 4.39 0.00 4.30 2.20 -1.26 -3.92 119.74 128.15 3i1n s LYS 76 Ca 0.05 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 3i1n s LYS 76 Cb -0.13 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3i1n s LYS 76 CO -0.16 -0.36 0.00 -2.30 -0.36 0.00 0.00 175.35 172.17 3i1n n PRO 77 N 4.69 0.00 0.00 4.03 -0.02 -1.26 -5.03 135.00 137.41 3i1n n PRO 77 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3i1n n PRO 77 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 3i1n n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i1n n LEU 78 N 0.00 0.00 0.05 2.45 0.00 -1.26 -4.85 117.00 113.39 3i1n n LEU 78 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.04 3i1n n LEU 78 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 43.42 43.57 3i1n n LEU 78 CO 0.00 0.00 0.59 0.00 0.00 0.00 0.00 177.39 177.98 3i1n n ALA 79 N -3.00 0.91 -1.60 1.96 0.00 -1.26 -4.63 120.51 112.89 3i1n n ALA 79 Ca 0.00 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 3i1n n ALA 79 Cb 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.49 3i1n n ALA 79 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3i1n n VAL 80 N -1.66 2.61 -0.67 0.00 3.14 -1.26 -5.04 118.33 115.45 3i1n n VAL 80 Ca -0.00 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.86 3i1n n VAL 80 Cb 0.07 -1.13 0.01 0.00 -1.06 0.00 0.00 33.84 31.73 3i1n n VAL 80 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3i1n n ARG 81 N -0.04 -0.80 -3.92 1.45 3.00 -1.26 -4.96 116.66 110.14 3i1n n ARG 81 Ca 0.10 -0.08 -0.35 0.00 -0.00 0.00 0.00 57.85 57.52 3i1n n ARG 81 Cb 0.41 -0.07 -0.06 0.00 0.00 0.00 0.00 32.46 32.74 3i1n n ARG 81 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3i1n s MET 82 N -3.11 3.41 0.00 -0.14 -1.94 -1.26 -4.75 119.30 111.50 3i1n s MET 82 Ca 0.03 -0.22 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 3i1n s MET 82 Cb -0.00 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.71 3i1n s MET 82 CO 0.02 0.73 0.00 0.41 -0.01 0.00 0.00 175.02 176.18 3i1n n GLY 83 N 1.58 2.63 2.64 -0.03 0.00 -1.26 -4.97 105.19 105.77 3i1n n GLY 83 Ca -0.16 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 3i1n n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1n n LYS 84 N 0.00 2.75 0.00 1.61 5.02 -1.26 -4.68 118.16 121.59 3i1n n LYS 84 Ca 0.00 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.16 3i1n n LYS 84 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 35.03 32.10 3i1n n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1n n GLY 85 N 3.95 0.82 3.76 0.72 0.00 -1.26 -4.97 105.19 108.20 3i1n n GLY 85 Ca 0.59 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 3i1n n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1n s LYS 86 N -3.10 4.77 0.26 1.61 2.20 -1.26 -5.03 119.74 119.20 3i1n s LYS 86 Ca 0.00 1.39 -0.04 0.00 -0.36 0.00 0.00 55.97 56.95 3i1n s LYS 86 Cb 0.00 -3.27 0.07 0.00 -1.51 0.00 0.00 37.83 33.12 3i1n s LYS 86 CO 0.00 0.53 0.18 0.41 -0.36 0.00 0.00 175.35 176.11 3i1n n GLY 87 N 1.50 -3.40 3.87 5.54 0.00 -1.26 -5.00 105.19 106.45 3i1n n GLY 87 Ca -0.03 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 3i1n n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i1n s ASN 88 N -2.16 6.14 -0.02 1.61 -0.87 -1.25 -4.74 114.94 113.64 3i1n s ASN 88 Ca 0.13 0.23 -0.30 0.00 -1.57 0.00 0.00 52.86 51.35 3i1n s ASN 88 Cb -0.02 -1.85 -0.06 0.00 -0.02 0.00 0.00 41.25 39.30 3i1n s ASN 88 CO 0.10 0.21 1.52 -0.69 -2.57 0.00 0.00 177.10 175.67 3i1n s VAL 89 N -1.39 3.60 -0.16 1.60 1.01 -1.26 -2.30 120.40 121.50 3i1n s VAL 89 Ca 0.30 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.20 3i1n s VAL 89 Cb -0.13 -3.58 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 3i1n s VAL 89 CO 0.22 -0.04 -0.13 1.21 0.00 0.00 0.00 175.10 176.36 3i1n n GLU 90 N 6.11 0.43 -3.94 2.72 4.07 -1.06 -4.97 120.64 124.00 3i1n n GLU 90 Ca 0.15 0.09 -0.09 0.00 -0.06 0.00 0.00 57.16 57.25 3i1n n GLU 90 Cb 0.43 -1.31 -0.03 0.00 -0.06 0.00 0.00 31.44 30.47 3i1n n GLU 90 CO 0.00 0.00 0.00 1.52 -0.06 0.00 0.00 177.13 178.59 3i1n s TYR 91 N -2.31 0.22 -0.09 4.31 1.13 -1.23 -5.12 117.35 114.26 3i1n s TYR 91 Ca -0.21 -0.65 0.03 0.00 -1.41 0.00 0.00 57.07 54.84 3i1n s TYR 91 Cb 0.05 0.42 -0.01 0.00 -1.10 0.00 0.00 41.96 41.33 3i1n s TYR 91 CO 0.36 -1.17 -0.21 -1.58 -2.51 0.00 0.00 175.55 170.44 3i1n s TRP 92 N -3.63 2.60 0.20 -3.49 0.52 -1.26 -3.98 118.94 109.91 3i1n s TRP 92 Ca 0.19 -0.81 0.11 0.00 0.02 0.00 0.00 56.10 55.60 3i1n s TRP 92 Cb -0.03 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 3i1n s TRP 92 CO 0.10 -0.28 -0.19 0.54 0.02 0.00 0.00 176.95 177.14 3i1n s VAL 93 N 0.15 2.60 -0.16 4.03 0.11 0.11 -4.07 120.40 123.17 3i1n s VAL 93 Ca -0.11 -1.99 0.00 0.00 -2.93 0.00 0.00 61.98 56.95 3i1n s VAL 93 Cb -0.16 -2.28 -0.00 0.00 -1.53 0.00 0.00 36.38 32.41 3i1n s VAL 93 CO 0.06 -0.16 -0.15 0.00 -3.33 0.00 0.00 175.10 171.53 3i1n s ALA 94 N -1.81 2.51 0.23 1.54 0.00 0.13 -1.81 121.76 122.55 3i1n s ALA 94 Ca 0.23 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 3i1n s ALA 94 Cb -0.08 -1.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.70 3i1n s ALA 94 CO 0.12 -0.08 1.28 -0.51 0.00 0.00 0.00 175.76 176.58 3i1n s LEU 95 N 0.88 4.43 -0.01 0.00 1.02 -1.26 -2.09 118.68 121.65 3i1n s LEU 95 Ca -0.04 2.43 0.02 0.00 0.02 0.00 0.00 54.13 56.56 3i1n s LEU 95 Cb -0.15 -3.62 -0.00 0.00 0.02 0.00 0.00 46.19 42.44 3i1n s LEU 95 CO -0.01 -0.49 -0.08 0.27 0.02 0.00 0.00 176.35 176.06 3i1n s ILE 96 N -0.20 0.69 0.28 -0.59 -5.25 -0.10 -4.95 121.20 111.09 3i1n s ILE 96 Ca 0.54 -0.35 0.12 0.00 -0.99 0.00 0.00 60.65 59.97 3i1n s ILE 96 Cb -0.36 -0.60 -0.05 0.00 2.95 0.00 0.00 42.46 44.39 3i1n s ILE 96 CO 0.41 0.21 -0.19 0.00 -1.79 0.00 0.00 174.94 173.58 3i1n s GLN 97 N -0.03 1.70 0.29 0.37 0.00 -1.26 -1.42 119.66 119.30 3i1n s GLN 97 Ca 0.01 -1.77 -0.30 0.00 -0.00 0.00 0.00 55.36 53.29 3i1n s GLN 97 Cb -0.05 -1.77 -0.12 0.00 0.00 0.00 0.00 33.01 31.06 3i1n s GLN 97 CO -0.00 0.32 1.49 -2.30 0.00 0.00 0.00 175.29 174.79 3i1n n PRO 98 N -0.64 2.40 0.00 9.60 -0.02 -1.22 -2.18 135.00 142.94 3i1n n PRO 98 Ca -0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3i1n n PRO 98 Cb 0.60 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3i1n n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1n n GLY 99 N 1.86 2.84 3.76 -1.23 0.00 -1.26 -0.35 105.19 110.80 3i1n n GLY 99 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3i1n n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1n n LYS 100 N -1.02 2.56 -3.45 1.61 4.76 -0.93 -4.38 118.16 117.32 3i1n n LYS 100 Ca 0.00 0.90 -0.43 0.00 -2.87 0.00 0.00 58.31 55.91 3i1n n LYS 100 Cb 0.00 -2.60 -0.10 0.00 -1.84 0.00 0.00 35.03 30.49 3i1n n LYS 100 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1n s VAL 101 N -1.02 5.25 -0.00 -0.18 0.11 -0.25 0.78 120.40 125.09 3i1n s VAL 101 Ca 0.55 -0.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 3i1n s VAL 101 Cb -0.50 -3.95 -0.01 0.00 -1.53 0.00 0.00 36.38 30.39 3i1n s VAL 101 CO 0.62 -0.33 0.53 -0.07 -3.33 0.00 0.00 175.10 172.52 3i1n h LEU 102 N 8.65 -0.06 -9.05 2.54 -0.00 -1.25 -3.40 115.31 112.73 3i1n h LEU 102 Ca -0.27 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 56.99 3i1n h LEU 102 Cb 1.12 0.02 -0.17 0.00 -0.00 0.00 0.00 40.66 41.62 3i1n h LEU 102 CO 0.74 -0.02 -0.80 -0.31 -0.00 0.00 0.00 178.44 178.06 3i1n s TYR 103 N -2.19 2.22 0.16 1.13 1.51 -1.24 -0.96 117.35 117.98 3i1n s TYR 103 Ca -0.01 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.73 3i1n s TYR 103 Cb 0.00 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 3i1n s TYR 103 CO 0.03 0.53 -0.11 -1.21 -1.11 0.00 0.00 175.55 173.68 3i1n s GLU 104 N -2.93 1.13 0.08 -0.62 2.02 0.38 -0.98 118.70 117.79 3i1n s GLU 104 Ca 0.23 -1.48 -0.11 0.00 0.02 0.00 0.00 54.97 53.62 3i1n s GLU 104 Cb -0.07 -0.76 0.01 0.00 0.10 0.00 0.00 34.13 33.41 3i1n s GLU 104 CO 0.11 0.11 0.26 1.41 0.02 0.00 0.00 175.26 177.17 3i1n s MET 105 N -3.70 0.88 0.00 1.61 -2.45 -0.64 0.19 119.30 115.19 3i1n s MET 105 Ca 0.18 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.83 3i1n s MET 105 Cb 0.02 0.37 0.00 0.00 1.25 0.00 0.00 34.83 36.46 3i1n s MET 105 CO 0.02 -0.30 0.00 -3.47 1.05 0.00 0.00 175.02 172.33 3i1n n ASP 106 N 0.08 0.00 -2.79 1.11 2.03 -0.21 -0.17 116.55 116.60 3i1n n ASP 106 Ca -0.16 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.86 3i1n n ASP 106 Cb 0.62 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.95 3i1n n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i1n n GLY 107 N 3.13 4.25 3.37 0.27 0.00 -1.26 -4.58 105.19 110.37 3i1n n GLY 107 Ca 0.00 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 3i1n n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1n s VAL 108 N -0.38 0.01 0.19 1.61 1.01 -1.26 -3.45 120.40 118.13 3i1n s VAL 108 Ca 0.62 -0.08 -0.33 0.00 0.00 0.00 0.00 61.98 62.19 3i1n s VAL 108 Cb 0.28 -0.69 -0.13 0.00 0.00 0.00 0.00 36.38 35.83 3i1n s VAL 108 CO -0.11 -0.04 1.55 -2.65 0.00 0.00 0.00 175.10 173.85 3i1n n PRO 109 N 2.40 2.21 -0.01 2.72 -0.02 -1.26 -4.67 135.00 136.37 3i1n n PRO 109 Ca -0.15 0.79 -0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3i1n n PRO 109 Cb 0.57 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3i1n n PRO 109 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i1n n GLU 110 N 3.02 -0.01 -0.08 -0.52 -0.58 -1.26 -0.03 120.64 121.17 3i1n n GLU 110 Ca 0.15 0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.87 3i1n n GLU 110 Cb 0.30 -0.15 -0.06 0.00 -0.57 0.00 0.00 31.44 30.97 3i1n n GLU 110 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3i1n h GLU 111 N 0.00 -0.40 -0.07 3.49 4.57 -1.99 0.32 114.58 120.50 3i1n h GLU 111 Ca 0.00 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3i1n h GLU 111 Cb 0.01 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3i1n h GLU 111 CO -0.03 -0.27 -0.12 1.25 -1.18 0.00 0.00 179.01 178.67 3i1n h LEU 112 N -0.41 -0.35 -0.52 1.64 5.85 -0.80 0.07 115.31 120.77 3i1n h LEU 112 Ca 0.10 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3i1n h LEU 112 Cb 0.61 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.70 3i1n h LEU 112 CO -0.51 -0.16 -0.25 0.00 -0.34 0.00 0.00 178.44 177.18 3i1n h ALA 113 N 0.86 0.11 -0.24 1.25 0.00 -0.51 0.23 119.26 120.97 3i1n h ALA 113 Ca 0.07 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3i1n h ALA 113 Cb 0.26 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 3i1n h ALA 113 CO -0.17 -0.58 -0.21 0.00 0.00 0.00 0.00 179.25 178.29 3i1n h ARG 114 N -0.12 -0.21 0.20 0.00 3.08 0.15 0.19 114.38 117.67 3i1n h ARG 114 Ca 0.24 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.31 3i1n h ARG 114 Cb 0.50 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3i1n h ARG 114 CO -0.60 -0.14 -0.50 0.93 -1.07 0.00 0.00 179.97 178.58 3i1n h GLU 115 N -0.22 -0.76 -0.67 0.04 4.39 0.15 0.10 114.58 117.61 3i1n h GLU 115 Ca 0.14 0.05 0.14 0.00 0.34 0.00 0.00 59.36 60.03 3i1n h GLU 115 Cb 0.42 0.17 -0.11 0.00 -0.10 0.00 0.00 28.75 29.13 3i1n h GLU 115 CO -0.37 -0.51 0.00 0.00 -1.16 0.00 0.00 179.01 176.97 3i1n h ALA 116 N -0.53 0.67 -0.55 3.43 0.00 0.14 0.10 119.26 122.52 3i1n h ALA 116 Ca -0.01 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3i1n h ALA 116 Cb 0.77 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3i1n h ALA 116 CO -0.23 -0.40 -0.10 0.74 0.00 0.00 0.00 179.25 179.26 3i1n h PHE 117 N 0.11 1.16 -0.67 0.00 0.04 -0.37 -2.03 116.94 115.19 3i1n h PHE 117 Ca 0.35 -0.24 0.19 0.00 2.80 0.00 0.00 57.97 61.08 3i1n h PHE 117 Cb 0.59 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 3i1n h PHE 117 CO -0.39 1.06 0.51 -0.22 -0.60 0.00 0.00 178.31 178.68 3i1n h LYS 118 N 0.92 0.00 0.19 1.51 3.64 0.17 0.16 116.57 123.17 3i1n h LYS 118 Ca 0.14 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.17 3i1n h LYS 118 Cb 0.67 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3i1n h LYS 118 CO 0.05 0.00 -1.73 -0.07 -2.27 0.00 0.00 179.45 175.43 3i1n h LEU 119 N 0.00 0.64 -1.23 5.20 3.38 -0.63 -3.26 115.31 119.42 3i1n h LEU 119 Ca 0.32 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 3i1n h LEU 119 Cb 1.34 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3i1n h LEU 119 CO -0.00 1.78 -0.25 0.00 0.09 0.00 0.00 178.44 180.06 3i1n h ALA 120 N 0.12 1.08 -0.89 1.53 0.00 -0.74 -2.21 119.26 118.16 3i1n h ALA 120 Ca -0.34 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.44 3i1n h ALA 120 Cb 2.11 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.79 3i1n h ALA 120 CO 0.19 0.31 0.57 0.00 0.00 0.00 0.00 179.25 180.32 3i1n h ALA 121 N 1.75 1.63 0.00 0.00 0.00 -0.78 -2.45 119.26 119.40 3i1n h ALA 121 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i1n h ALA 121 Cb 0.70 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i1n h ALA 121 CO 0.03 0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.46 3i1n h ALA 122 N 1.55 0.99 0.00 0.00 0.00 -1.49 -2.10 119.26 118.21 3i1n h ALA 122 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3i1n h ALA 122 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3i1n h ALA 122 CO -0.17 0.03 -0.19 0.87 0.00 0.00 0.00 179.25 179.78 3i1n h LYS 123 N 0.00 0.00 -6.64 0.00 1.79 -1.53 -3.46 116.57 106.72 3i1n h LYS 123 Ca -0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3i1n h LYS 123 Cb 0.82 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.45 3i1n h LYS 123 CO 0.00 0.00 0.03 -0.51 -1.08 0.00 0.00 179.45 177.89 3i1n s LEU 124 N -4.53 4.08 0.00 2.94 1.43 -0.79 -4.87 118.68 116.94 3i1n s LEU 124 Ca 0.09 1.16 0.26 0.00 -1.03 0.00 0.00 54.13 54.61 3i1n s LEU 124 Cb 0.12 -3.95 0.67 0.00 0.03 0.00 0.00 46.19 43.07 3i1n s LEU 124 CO 0.64 -0.17 1.52 -0.81 0.23 0.00 0.00 176.35 177.75 3i1n n PRO 125 N -0.34 0.48 -4.78 1.29 -0.04 -1.26 -4.91 135.00 125.43 3i1n n PRO 125 Ca 0.02 -0.28 -0.24 0.00 -0.04 0.00 0.00 63.50 62.97 3i1n n PRO 125 Cb 0.53 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 3i1n n PRO 125 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i1n s ILE 126 N -2.71 1.36 0.25 0.52 -5.25 -1.26 -5.05 121.20 109.06 3i1n s ILE 126 Ca 0.19 -0.78 -0.30 0.00 -0.99 0.00 0.00 60.65 58.77 3i1n s ILE 126 Cb 0.19 -1.14 -0.14 0.00 2.95 0.00 0.00 42.46 44.31 3i1n s ILE 126 CO 0.59 0.35 1.26 0.29 -1.79 0.00 0.00 174.94 175.65 3i1n n LYS 127 N 2.56 1.74 -4.31 0.37 5.02 -1.26 -4.87 118.16 117.42 3i1n n LYS 127 Ca -0.15 0.62 -0.24 0.00 -2.02 0.00 0.00 58.31 56.51 3i1n n LYS 127 Cb 0.54 -2.18 -0.07 0.00 -0.02 0.00 0.00 35.03 33.31 3i1n n LYS 127 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3i1n n THR 128 N 1.26 0.00 -3.48 -0.18 -2.24 -1.20 -3.15 114.28 105.28 3i1n n THR 128 Ca 0.11 -2.28 -0.14 0.00 -2.27 0.00 0.00 64.05 59.48 3i1n n THR 128 Cb 0.31 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 3i1n n THR 128 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3i1n s THR 129 N -3.01 0.00 0.20 4.28 -1.32 0.50 -4.95 115.64 111.35 3i1n s THR 129 Ca 0.19 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.49 3i1n s THR 129 Cb 0.01 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.92 3i1n s THR 129 CO 0.14 0.00 0.67 0.12 -2.21 0.00 0.00 174.62 173.33 3i1n s PHE 130 N -2.45 3.63 0.07 9.09 5.36 -1.26 0.10 117.98 132.52 3i1n s PHE 130 Ca -0.03 1.28 0.02 0.00 -0.96 0.00 0.00 56.93 57.24 3i1n s PHE 130 Cb -0.01 -2.54 -0.03 0.00 -0.34 0.00 0.00 43.02 40.11 3i1n s PHE 130 CO -0.02 0.36 -0.08 0.14 -1.46 0.00 0.00 175.22 174.15 3i1n s VAL 131 N -1.52 0.65 0.49 3.12 -7.23 -0.86 -4.85 120.40 110.19 3i1n s VAL 131 Ca 0.42 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 59.22 3i1n s VAL 131 Cb -0.16 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.72 3i1n s VAL 131 CO 0.20 -0.56 0.30 -0.89 -0.31 0.00 0.00 175.10 173.84 3i1n s THR 132 N -2.23 1.91 0.03 5.32 2.01 -1.26 -1.29 115.64 120.12 3i1n s THR 132 Ca -0.01 -1.58 -0.11 0.00 0.31 0.00 0.00 61.69 60.30 3i1n s THR 132 Cb -0.04 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 3i1n s THR 132 CO -0.01 0.00 1.17 0.50 -0.69 0.00 0.00 174.62 175.58 3i1n h LYS 133 N 1.04 -0.29 0.00 4.92 3.64 -1.45 -3.43 116.57 120.99 3i1n h LYS 133 Ca -0.40 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3i1n h LYS 133 Cb 1.29 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3i1n h LYS 133 CO 0.63 -0.19 0.00 2.41 -2.27 0.00 0.00 179.45 180.02 3i1n n THR 134 N -3.23 -0.74 0.11 1.00 -1.04 -1.26 -4.53 114.28 104.59 3i1n n THR 134 Ca -0.04 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.95 3i1n n THR 134 Cb 0.14 -0.50 0.07 0.00 -1.82 0.00 0.00 70.33 68.22 3i1n n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3i1n h VAL 135 N 0.00 1.45 0.00 12.58 2.07 -2.00 -3.51 116.25 126.84 3i1n h VAL 135 Ca 0.00 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.97 3i1n h VAL 135 Cb 0.00 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3i1n h VAL 135 CO 0.00 0.71 0.00 0.80 0.02 0.00 0.00 177.57 179.10