#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ims s LEU 12 N 0.00 -0.12 0.16 1.53 2.96 -1.25 -0.53 118.68 121.43 3ims s LEU 12 Ca 0.00 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 53.81 3ims s LEU 12 Cb 0.00 0.40 -0.04 0.00 0.50 0.00 0.00 46.19 47.05 3ims s LEU 12 CO 0.00 -0.32 -0.21 -0.04 -1.32 0.00 0.00 176.35 174.46 3ims s MET 13 N 2.33 1.32 -0.00 1.98 -1.94 -0.05 -4.41 119.30 118.52 3ims s MET 13 Ca 0.07 -1.39 0.06 0.00 -1.71 0.00 0.00 55.69 52.72 3ims s MET 13 Cb -0.16 -1.52 -0.02 0.00 2.01 0.00 0.00 34.83 35.15 3ims s MET 13 CO -0.12 0.33 -0.20 0.08 -0.01 0.00 0.00 175.02 175.10 3ims s VAL 14 N -1.70 1.59 -0.03 -6.03 1.01 -0.86 -1.01 120.40 113.37 3ims s VAL 14 Ca 0.15 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3ims s VAL 14 Cb -0.07 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.99 3ims s VAL 14 CO 0.07 0.40 -0.02 -0.75 0.00 0.00 0.00 175.10 174.79 3ims s LYS 15 N -0.61 0.45 -0.06 2.72 2.20 -0.24 -0.58 119.74 123.63 3ims s LYS 15 Ca 0.08 -0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.68 3ims s LYS 15 Cb -0.08 -0.54 0.01 0.00 -1.51 0.00 0.00 37.83 35.71 3ims s LYS 15 CO -0.00 -0.06 -0.13 0.08 -0.36 0.00 0.00 175.35 174.88 3ims s VAL 16 N 0.71 1.15 0.14 4.02 1.01 0.14 -0.87 120.40 126.69 3ims s VAL 16 Ca -0.08 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.49 3ims s VAL 16 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3ims s VAL 16 CO -0.01 0.35 -0.22 -0.76 0.00 0.00 0.00 175.10 174.46 3ims s LEU 17 N 0.48 2.37 -0.25 3.92 1.43 -0.10 -0.87 118.68 125.65 3ims s LEU 17 Ca -0.11 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 3ims s LEU 17 Cb -0.14 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.10 3ims s LEU 17 CO 0.03 0.07 -0.01 -0.62 0.23 0.00 0.00 176.35 176.05 3ims s ASP 18 N -2.30 4.57 0.01 2.29 -1.08 0.24 -0.68 116.67 119.73 3ims s ASP 18 Ca 0.13 -0.63 0.28 0.00 -0.52 0.00 0.00 52.55 51.82 3ims s ASP 18 Cb -0.08 -1.76 1.15 0.00 -1.46 0.00 0.00 42.92 40.77 3ims s ASP 18 CO 0.06 -0.10 1.88 0.00 0.52 0.00 0.00 175.17 177.53 3ims n ALA 19 N 4.78 2.43 -0.05 3.66 0.00 -0.00 -1.27 120.51 130.06 3ims n ALA 19 Ca -0.17 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 3ims n ALA 19 Cb 0.49 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 3ims n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ims h VAL 20 N 0.00 0.89 0.00 0.00 2.07 -1.95 -3.39 116.25 113.87 3ims h VAL 20 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3ims h VAL 20 Cb 0.52 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3ims h VAL 20 CO 0.00 0.57 -0.94 0.54 0.02 0.00 0.00 177.57 177.77 3ims n ARG 21 N -4.06 0.50 -2.94 1.57 1.74 -1.25 -5.00 116.66 107.22 3ims n ARG 21 Ca -0.30 0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.77 3ims n ARG 21 Cb 0.83 -1.77 0.06 0.00 -1.02 0.00 0.00 32.46 30.56 3ims n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ims n GLY 22 N 1.24 -0.11 3.37 -0.13 0.00 -0.40 -5.02 105.19 104.14 3ims n GLY 22 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 3ims n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ims s SER 23 N -3.88 -0.06 0.70 1.61 1.04 -1.06 -5.01 113.70 107.05 3ims s SER 23 Ca 0.01 -0.68 -0.16 0.00 0.48 0.00 0.00 55.95 55.60 3ims s SER 23 Cb -0.00 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.61 3ims s SER 23 CO 0.49 -0.92 1.23 -2.65 0.98 0.00 0.00 173.24 172.38 3ims n PRO 24 N -0.23 0.78 -3.08 4.02 -0.02 -1.26 -0.59 135.00 134.61 3ims n PRO 24 Ca -0.10 0.33 -0.44 0.00 -2.02 0.00 0.00 63.50 61.27 3ims n PRO 24 Cb 0.63 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 3ims n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ims s ALA 25 N -1.65 3.33 0.02 3.55 0.00 -0.05 -4.56 121.76 122.41 3ims s ALA 25 Ca 0.79 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 3ims s ALA 25 Cb -0.35 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 3ims s ALA 25 CO 0.44 -2.17 0.39 0.42 0.00 0.00 0.00 175.76 174.85 3ims s ILE 26 N 2.96 5.08 -1.52 0.00 1.01 -1.26 -4.33 121.20 123.14 3ims s ILE 26 Ca 0.18 0.66 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 3ims s ILE 26 Cb -0.19 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.62 3ims s ILE 26 CO 0.12 0.48 0.61 0.59 0.00 0.00 0.00 174.94 176.74 3ims n ASN 27 N 1.49 -6.04 -4.73 3.58 3.02 -0.24 -4.95 115.26 107.40 3ims n ASN 27 Ca -0.12 -0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 53.75 3ims n ASN 27 Cb 0.52 -4.85 -0.05 0.00 -0.61 0.00 0.00 39.78 34.79 3ims n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ims s VAL 28 N -3.17 5.05 0.16 2.41 1.01 -1.26 -4.78 120.40 119.82 3ims s VAL 28 Ca 0.30 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 3ims s VAL 28 Cb -0.13 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 3ims s VAL 28 CO 0.37 0.30 1.04 0.00 0.00 0.00 0.00 175.10 176.81 3ims s ALA 29 N 0.59 3.33 -0.06 5.51 0.00 -1.26 -1.16 121.76 128.71 3ims s ALA 29 Ca 0.34 0.72 0.01 0.00 0.00 0.00 0.00 51.96 53.03 3ims s ALA 29 Cb -0.17 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3ims s ALA 29 CO 0.16 -0.11 -0.06 0.08 0.00 0.00 0.00 175.76 175.83 3ims s VAL 30 N -0.26 0.72 -0.09 0.00 1.01 -0.01 -0.73 120.40 121.04 3ims s VAL 30 Ca 0.48 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.29 3ims s VAL 30 Cb -0.27 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 3ims s VAL 30 CO 0.33 0.28 -0.23 -1.00 0.00 0.00 0.00 175.10 174.48 3ims s HIS 31 N 1.03 2.57 -0.10 5.22 3.76 -0.18 -1.41 115.29 126.17 3ims s HIS 31 Ca -0.09 -0.93 -0.01 0.00 -0.15 0.00 0.00 55.06 53.88 3ims s HIS 31 Cb -0.14 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 3ims s HIS 31 CO -0.00 -0.35 -0.05 0.08 -0.85 0.00 0.00 174.74 173.56 3ims s VAL 32 N 0.24 3.81 0.12 -0.90 1.01 0.13 -0.15 120.40 124.65 3ims s VAL 32 Ca -0.15 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3ims s VAL 32 Cb -0.17 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3ims s VAL 32 CO 0.08 0.56 -0.18 -0.36 0.00 0.00 0.00 175.10 175.20 3ims s PHE 33 N -0.38 1.66 -0.05 5.22 0.40 0.27 -1.03 117.98 124.06 3ims s PHE 33 Ca 0.06 -0.46 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 3ims s PHE 33 Cb -0.12 -0.88 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 3ims s PHE 33 CO 0.02 0.21 -0.18 0.50 0.70 0.00 0.00 175.22 176.48 3ims s ARG 34 N -2.27 2.54 0.01 0.44 3.52 0.08 -0.90 118.95 122.38 3ims s ARG 34 Ca 0.08 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 3ims s ARG 34 Cb -0.08 -2.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.95 3ims s ARG 34 CO 0.04 0.53 1.15 0.21 -0.81 0.00 0.00 175.30 176.42 3ims s LYS 35 N -0.50 4.43 0.61 5.12 2.20 -0.00 -0.29 119.74 131.31 3ims s LYS 35 Ca 0.06 1.66 -0.02 0.00 -0.36 0.00 0.00 55.97 57.31 3ims s LYS 35 Cb -0.12 -3.44 0.04 0.00 -1.51 0.00 0.00 37.83 32.81 3ims s LYS 35 CO 0.01 -0.28 0.88 0.00 -0.36 0.00 0.00 175.35 175.60 3ims s ALA 36 N 1.43 3.55 0.50 3.13 0.00 0.23 -4.76 121.76 125.83 3ims s ALA 36 Ca 0.56 -1.11 0.15 0.00 0.00 0.00 0.00 51.96 51.56 3ims s ALA 36 Cb -0.26 -2.33 1.18 0.00 0.00 0.00 0.00 23.12 21.72 3ims s ALA 36 CO 0.26 -0.97 2.11 0.00 0.00 0.00 0.00 175.76 177.17 3ims h ALA 37 N -0.21 1.92 -0.25 0.00 0.00 -1.95 -0.33 119.26 118.44 3ims h ALA 37 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ims h ALA 37 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ims h ALA 37 CO 0.56 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 3ims n ASP 38 N -4.50 2.59 -0.75 0.00 5.68 -1.26 -4.91 116.55 113.41 3ims n ASP 38 Ca -0.02 -2.28 -0.10 0.00 -0.50 0.00 0.00 54.79 51.89 3ims n ASP 38 Cb 0.11 -0.48 -0.04 0.00 -1.14 0.00 0.00 41.12 39.57 3ims n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3ims n ASP 39 N 0.29 -4.86 -4.95 -1.12 8.00 -0.13 -5.02 116.55 108.75 3ims n ASP 39 Ca 0.11 0.24 -0.23 0.00 0.71 0.00 0.00 54.79 55.62 3ims n ASP 39 Cb 0.54 -3.22 0.03 0.00 -0.02 0.00 0.00 41.12 38.44 3ims n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ims s THR 40 N -2.13 3.41 -0.30 -3.53 -4.23 -1.26 -4.82 115.64 102.78 3ims s THR 40 Ca 0.00 -0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 59.97 3ims s THR 40 Cb 0.00 -3.30 -0.02 0.00 1.34 0.00 0.00 72.50 70.52 3ims s THR 40 CO 0.00 -0.23 0.17 0.26 -0.54 0.00 0.00 174.62 174.28 3ims s TRP 41 N -2.75 3.19 -0.16 3.99 0.52 -1.26 -0.60 118.94 121.87 3ims s TRP 41 Ca 0.53 -0.27 -0.08 0.00 0.02 0.00 0.00 56.10 56.30 3ims s TRP 41 Cb -0.10 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 29.80 3ims s TRP 41 CO 0.40 -0.34 0.13 -1.83 0.02 0.00 0.00 176.95 175.33 3ims s GLU 42 N 1.68 3.80 0.50 4.98 -1.05 0.60 -4.90 118.70 124.31 3ims s GLU 42 Ca 0.06 -0.19 -0.23 0.00 -0.15 0.00 0.00 54.97 54.46 3ims s GLU 42 Cb -0.17 -3.29 -0.07 0.00 -0.44 0.00 0.00 34.13 30.17 3ims s GLU 42 CO 0.08 0.54 1.23 -2.30 0.95 0.00 0.00 175.26 175.76 3ims n PRO 43 N 2.76 1.62 0.00 -4.83 -0.02 -1.26 -0.74 135.00 132.53 3ims n PRO 43 Ca -0.18 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3ims n PRO 43 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3ims n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ims n PHE 44 N -0.80 0.00 -3.51 6.00 7.35 -0.20 -4.73 117.46 121.57 3ims n PHE 44 Ca 0.09 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.70 3ims n PHE 44 Cb 0.43 0.16 -0.02 0.00 0.35 0.00 0.00 39.48 40.40 3ims n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ims s ALA 45 N -1.84 -1.78 0.25 3.13 0.00 -0.98 -5.01 121.76 115.53 3ims s ALA 45 Ca 0.00 0.90 -0.22 0.00 0.00 0.00 0.00 51.96 52.64 3ims s ALA 45 Cb 0.00 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.64 3ims s ALA 45 CO 0.00 -0.72 0.70 -1.54 0.00 0.00 0.00 175.76 174.20 3ims s SER 46 N -2.54 -0.33 -0.01 0.00 1.04 -1.26 0.18 113.70 110.78 3ims s SER 46 Ca 0.05 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 3ims s SER 46 Cb -0.01 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.81 3ims s SER 46 CO -0.09 -1.25 0.10 0.61 0.98 0.00 0.00 173.24 173.59 3ims n GLY 47 N -0.44 0.39 3.22 7.32 0.00 -0.50 -4.97 105.19 110.21 3ims n GLY 47 Ca -0.07 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 3ims n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ims s LYS 48 N -2.00 1.56 0.55 1.61 -0.14 -1.26 -0.83 119.74 119.23 3ims s LYS 48 Ca 0.02 -0.76 -0.21 0.00 -1.36 0.00 0.00 55.97 53.67 3ims s LYS 48 Cb -0.00 -1.55 -0.05 0.00 -1.68 0.00 0.00 37.83 34.56 3ims s LYS 48 CO -0.00 0.42 1.25 0.95 -0.76 0.00 0.00 175.35 177.20 3ims s THR 49 N -0.54 2.55 0.61 2.17 -4.23 -0.31 -4.78 115.64 111.11 3ims s THR 49 Ca 0.08 0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 3ims s THR 49 Cb -0.08 -3.18 0.14 0.00 1.34 0.00 0.00 72.50 70.72 3ims s THR 49 CO -0.00 -0.04 0.83 -1.54 -0.54 0.00 0.00 174.62 173.33 3ims n SER 50 N -1.14 0.21 0.32 3.99 3.41 0.09 -1.08 113.62 119.42 3ims n SER 50 Ca 0.11 -1.39 0.20 0.00 -0.26 0.00 0.00 58.87 57.53 3ims n SER 50 Cb 0.48 -0.62 1.09 0.00 -0.26 0.00 0.00 64.21 64.89 3ims n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ims h GLU 51 N 0.00 0.00 -0.11 4.33 4.39 -1.94 -0.18 114.58 121.08 3ims h GLU 51 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3ims h GLU 51 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3ims h GLU 51 CO 0.20 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.92 3ims n SER 52 N -3.34 1.85 0.00 1.42 3.41 -1.26 -4.79 113.62 110.91 3ims n SER 52 Ca -0.03 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 3ims n SER 52 Cb 0.11 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3ims n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ims n GLY 53 N 1.20 0.53 3.65 5.00 0.00 -0.08 -4.79 105.19 110.69 3ims n GLY 53 Ca 0.17 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3ims n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ims s GLU 54 N -0.43 2.36 -0.18 1.61 2.02 -1.26 -0.69 118.70 122.13 3ims s GLU 54 Ca 0.00 -1.05 -0.03 0.00 0.02 0.00 0.00 54.97 53.91 3ims s GLU 54 Cb 0.00 -2.37 0.06 0.00 0.10 0.00 0.00 34.13 31.91 3ims s GLU 54 CO 0.00 0.48 0.03 -1.17 0.02 0.00 0.00 175.26 174.62 3ims s LEU 55 N -2.69 1.11 0.36 1.80 2.96 0.26 -0.73 118.68 121.74 3ims s LEU 55 Ca 0.26 -0.72 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 3ims s LEU 55 Cb -0.10 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 3ims s LEU 55 CO 0.17 -0.29 0.20 -1.00 -1.32 0.00 0.00 176.35 174.11 3ims s HIS 56 N 1.87 2.72 -0.37 5.38 3.76 -1.26 -2.02 115.29 125.36 3ims s HIS 56 Ca -0.00 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 3ims s HIS 56 Cb -0.16 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.75 3ims s HIS 56 CO -0.08 0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 3ims n GLY 57 N -1.24 0.65 0.16 -2.22 0.00 -1.26 -4.92 105.19 96.35 3ims n GLY 57 Ca -0.02 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 3ims n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ims h LEU 58 N 0.00 0.42 0.00 0.99 3.38 -1.87 -3.47 115.31 114.76 3ims h LEU 58 Ca -0.07 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 3ims h LEU 58 Cb 0.24 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3ims h LEU 58 CO 0.10 0.47 -0.10 1.07 0.09 0.00 0.00 178.44 180.07 3ims n THR 59 N -4.74 0.00 -4.32 0.22 5.66 -1.26 -4.80 114.28 105.04 3ims n THR 59 Ca -0.02 -0.75 -0.17 0.00 -3.05 0.00 0.00 64.05 60.06 3ims n THR 59 Cb 0.13 0.43 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 3ims n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ims s THR 60 N -2.55 1.32 0.27 1.09 -4.23 -1.26 -4.65 115.64 105.62 3ims s THR 60 Ca 0.12 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 3ims s THR 60 Cb -0.00 -2.13 0.25 0.00 1.34 0.00 0.00 72.50 71.96 3ims s THR 60 CO 0.09 -0.52 1.81 -0.33 -0.54 0.00 0.00 174.62 175.12 3ims h GLU 61 N 2.57 0.80 -0.72 3.99 5.08 -1.99 -1.42 114.58 122.89 3ims h GLU 61 Ca -0.38 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3ims h GLU 61 Cb 1.21 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 3ims h GLU 61 CO 0.64 0.53 0.45 0.93 -1.00 0.00 0.00 179.01 180.56 3ims h GLU 62 N 0.82 0.97 0.00 2.33 5.08 -2.05 -3.12 114.58 118.61 3ims h GLU 62 Ca 0.46 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.56 3ims h GLU 62 Cb 0.51 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3ims h GLU 62 CO -0.29 0.67 -0.87 1.49 -1.00 0.00 0.00 179.01 179.01 3ims h GLU 63 N 0.98 0.00 -3.96 2.33 4.81 -1.83 -3.40 114.58 113.51 3ims h GLU 63 Ca 0.26 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.75 3ims h GLU 63 Cb -0.06 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.18 3ims h GLU 63 CO -0.05 0.87 1.99 0.34 -0.73 0.00 0.00 179.01 181.43 3ims n PHE 64 N -3.47 3.56 -2.25 0.92 7.35 -0.58 -4.96 117.46 118.02 3ims n PHE 64 Ca -0.00 -2.95 -0.28 0.00 -0.76 0.00 0.00 57.45 53.46 3ims n PHE 64 Cb 0.84 -2.10 0.03 0.00 0.35 0.00 0.00 39.48 38.60 3ims n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3ims s VAL 65 N 1.13 3.88 0.59 -2.13 -7.23 -1.26 -4.97 120.40 110.41 3ims s VAL 65 Ca 0.42 0.23 -0.19 0.00 -1.81 0.00 0.00 61.98 60.63 3ims s VAL 65 Cb 0.07 -3.55 -0.06 0.00 0.56 0.00 0.00 36.38 33.40 3ims s VAL 65 CO -0.00 -0.62 0.87 -0.62 -0.31 0.00 0.00 175.10 174.42 3ims n GLU 66 N -2.66 0.83 -3.10 4.82 1.02 -1.26 -4.85 120.64 115.44 3ims n GLU 66 Ca 0.05 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 3ims n GLU 66 Cb 0.57 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3ims n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ims n GLY 67 N 1.39 -2.04 3.71 0.62 0.00 -1.18 -4.96 105.19 102.73 3ims n GLY 67 Ca 0.13 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 3ims n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ims s ILE 68 N -1.79 5.33 0.12 -0.61 1.01 -1.26 -0.65 121.20 123.35 3ims s ILE 68 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 60.65 61.16 3ims s ILE 68 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 3ims s ILE 68 CO 0.00 0.38 -0.24 -0.31 0.00 0.00 0.00 174.94 174.77 3ims s TYR 69 N 0.66 2.03 -0.12 3.97 1.51 -0.03 -0.82 117.35 124.55 3ims s TYR 69 Ca 0.13 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 3ims s TYR 69 Cb -0.13 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 3ims s TYR 69 CO 0.03 0.27 -0.16 0.21 -1.11 0.00 0.00 175.55 174.79 3ims s LYS 70 N -2.00 2.34 -0.31 -0.62 2.20 -0.08 -1.07 119.74 120.20 3ims s LYS 70 Ca 0.10 -0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 55.02 3ims s LYS 70 Cb -0.10 -2.00 -0.00 0.00 -1.51 0.00 0.00 37.83 34.22 3ims s LYS 70 CO 0.05 -0.08 0.15 0.08 -0.36 0.00 0.00 175.35 175.19 3ims s VAL 71 N 1.03 4.55 -0.23 4.02 1.01 0.57 -0.57 120.40 130.78 3ims s VAL 71 Ca -0.05 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 3ims s VAL 71 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3ims s VAL 71 CO -0.03 0.04 0.05 -0.70 0.00 0.00 0.00 175.10 174.46 3ims s GLU 72 N 1.60 3.65 -0.20 2.72 2.12 0.78 -0.56 118.70 128.80 3ims s GLU 72 Ca 0.04 -0.49 -0.05 0.00 0.36 0.00 0.00 54.97 54.83 3ims s GLU 72 Cb -0.17 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 3ims s GLU 72 CO 0.06 -0.12 0.01 0.42 -0.54 0.00 0.00 175.26 175.09 3ims s ILE 73 N 1.41 4.00 -1.32 -3.70 1.01 0.51 -1.01 121.20 122.10 3ims s ILE 73 Ca 0.05 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 3ims s ILE 73 Cb -0.15 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.62 3ims s ILE 73 CO 0.03 0.42 1.84 0.47 0.00 0.00 0.00 174.94 177.69 3ims n ASP 74 N 4.30 4.76 0.07 3.58 10.43 0.09 -1.02 116.55 138.76 3ims n ASP 74 Ca -0.17 -2.96 -0.03 0.00 2.57 0.00 0.00 54.79 54.19 3ims n ASP 74 Cb 0.52 -1.61 0.20 0.00 1.84 0.00 0.00 41.12 42.06 3ims n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3ims h THR 75 N 4.45 1.31 -0.31 -3.53 1.35 -1.87 -3.01 112.91 111.30 3ims h THR 75 Ca 0.44 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.77 3ims h THR 75 Cb 0.74 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 3ims h THR 75 CO 1.57 0.46 0.15 0.50 -0.25 0.00 0.00 175.52 177.96 3ims h LYS 76 N 0.27 0.44 -0.44 4.72 3.64 -1.71 -1.43 116.57 122.06 3ims h LYS 76 Ca 0.03 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3ims h LYS 76 Cb 0.83 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3ims h LYS 76 CO 0.07 0.41 0.05 0.77 -2.27 0.00 0.00 179.45 178.47 3ims h SER 77 N 0.37 0.65 0.01 4.20 0.02 -1.84 -1.26 113.55 115.71 3ims h SER 77 Ca 0.11 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3ims h SER 77 Cb 0.10 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3ims h SER 77 CO -0.01 0.70 -0.02 0.22 -1.14 0.00 0.00 176.83 176.57 3ims h TYR 78 N 0.66 -0.04 -0.72 3.45 3.20 -1.30 -1.49 116.97 120.73 3ims h TYR 78 Ca 0.14 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 3ims h TYR 78 Cb 0.35 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 3ims h TYR 78 CO 0.02 -0.03 0.19 -1.49 -1.64 0.00 0.00 178.16 175.21 3ims h TRP 79 N -0.03 1.20 -0.52 -3.82 4.06 -1.13 -2.59 115.95 113.12 3ims h TRP 79 Ca 0.01 -0.14 -0.05 0.00 2.06 0.00 0.00 58.89 60.77 3ims h TRP 79 Cb 0.04 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 27.84 3ims h TRP 79 CO -0.09 0.97 0.12 0.87 -3.56 0.00 0.00 178.44 176.74 3ims h LYS 80 N 1.09 0.79 0.00 0.49 1.57 -1.10 -0.63 116.57 118.78 3ims h LYS 80 Ca 0.23 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3ims h LYS 80 Cb 0.36 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3ims h LYS 80 CO -0.00 0.72 -0.09 0.00 -0.57 0.00 0.00 179.45 179.50 3ims h ALA 81 N 1.37 1.12 -0.12 3.86 0.00 -0.88 -1.47 119.26 123.14 3ims h ALA 81 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ims h ALA 81 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ims h ALA 81 CO -0.00 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.65 3ims n LEU 82 N -3.37 2.23 -0.46 0.00 4.77 -0.60 -4.95 117.00 114.61 3ims n LEU 82 Ca -0.01 -0.84 -0.05 0.00 -0.03 0.00 0.00 56.01 55.09 3ims n LEU 82 Cb 0.27 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3ims n LEU 82 CO 0.29 0.42 -0.05 0.61 -1.33 0.00 0.00 177.39 177.32 3ims n GLY 83 N 1.26 0.43 3.36 -0.72 0.00 -0.55 -5.03 105.19 103.94 3ims n GLY 83 Ca 0.17 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3ims n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ims s ILE 84 N -2.21 2.52 -0.37 -0.61 1.01 -0.34 -5.01 121.20 116.19 3ims s ILE 84 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.48 3ims s ILE 84 Cb 0.00 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.53 3ims s ILE 84 CO 0.00 0.57 0.93 -0.55 0.00 0.00 0.00 174.94 175.90 3ims s SER 85 N -0.40 6.68 0.26 3.58 0.15 -1.26 -3.57 113.70 119.13 3ims s SER 85 Ca 0.04 0.57 0.06 0.00 0.70 0.00 0.00 55.95 57.32 3ims s SER 85 Cb -0.12 -2.47 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 3ims s SER 85 CO 0.02 -0.87 0.37 -2.16 1.20 0.00 0.00 173.24 171.79 3ims s PRO 86 N 3.51 3.30 -0.18 5.44 0.04 -1.26 -4.87 135.00 140.98 3ims s PRO 86 Ca 0.38 -0.86 -0.19 0.00 0.04 0.00 0.00 61.00 60.37 3ims s PRO 86 Cb -0.12 -2.84 -0.16 0.00 0.04 0.00 0.00 34.50 31.43 3ims s PRO 86 CO 0.19 0.34 0.22 0.35 0.04 0.00 0.00 177.00 178.14 3ims h PHE 87 N 1.14 0.00 -3.93 0.56 3.57 -1.47 -3.49 116.94 113.33 3ims h PHE 87 Ca -0.50 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.54 3ims h PHE 87 Cb 1.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 3ims h PHE 87 CO 0.46 1.04 0.25 -1.01 -2.23 0.00 0.00 178.31 176.82 3ims s HIS 88 N -2.27 3.35 0.10 0.41 3.76 -1.26 -4.98 115.29 114.40 3ims s HIS 88 Ca -0.23 1.47 -0.14 0.00 -0.15 0.00 0.00 55.06 56.01 3ims s HIS 88 Cb 0.03 -2.74 -0.10 0.00 1.11 0.00 0.00 32.58 30.89 3ims s HIS 88 CO 0.50 -0.02 1.39 0.93 -0.85 0.00 0.00 174.74 176.69 3ims h GLU 89 N 2.10 0.73 -2.64 1.40 4.39 -1.98 -3.36 114.58 115.23 3ims h GLU 89 Ca -0.48 -0.43 0.13 0.00 0.34 0.00 0.00 59.36 58.91 3ims h GLU 89 Cb 1.18 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3ims h GLU 89 CO 0.63 1.05 0.37 -3.38 -1.16 0.00 0.00 179.01 176.52 3ims s HIS 90 N -4.20 -0.17 -0.13 4.33 -3.43 -1.26 -3.28 115.29 107.15 3ims s HIS 90 Ca -0.12 -0.20 -0.04 0.00 -0.80 0.00 0.00 55.06 53.91 3ims s HIS 90 Cb 0.09 0.67 -0.03 0.00 -1.43 0.00 0.00 32.58 31.87 3ims s HIS 90 CO 0.85 -1.00 0.00 0.00 -2.00 0.00 0.00 174.74 172.59 3ims s ALA 91 N -3.56 3.22 -0.09 -1.38 0.00 -0.19 -4.87 121.76 114.87 3ims s ALA 91 Ca 0.11 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3ims s ALA 91 Cb -0.03 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3ims s ALA 91 CO 0.04 0.39 -0.14 -1.21 0.00 0.00 0.00 175.76 174.83 3ims s GLU 92 N -0.23 2.02 -0.26 0.00 8.01 -1.26 -0.36 118.70 126.62 3ims s GLU 92 Ca 0.06 -0.50 -0.02 0.00 0.01 0.00 0.00 54.97 54.52 3ims s GLU 92 Cb -0.12 -1.72 0.03 0.00 -4.31 0.00 0.00 34.13 28.00 3ims s GLU 92 CO 0.02 -0.04 -0.04 0.08 0.01 0.00 0.00 175.26 175.29 3ims s VAL 93 N 0.92 3.01 -0.14 2.63 1.01 0.27 -4.95 120.40 123.16 3ims s VAL 93 Ca -0.09 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3ims s VAL 93 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3ims s VAL 93 CO 0.00 0.15 -0.20 -0.69 0.00 0.00 0.00 175.10 174.36 3ims s VAL 94 N 1.34 2.27 0.16 2.92 1.01 -1.26 -0.32 120.40 126.52 3ims s VAL 94 Ca -0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 3ims s VAL 94 Cb -0.17 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3ims s VAL 94 CO -0.03 0.54 0.40 0.72 0.00 0.00 0.00 175.10 176.73 3ims s PHE 95 N 0.70 0.00 -0.20 5.22 -0.71 -0.24 -5.00 117.98 117.76 3ims s PHE 95 Ca -0.09 -0.35 -0.13 0.00 -1.04 0.00 0.00 56.93 55.32 3ims s PHE 95 Cb -0.16 0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.81 3ims s PHE 95 CO 0.01 -0.77 0.26 0.99 -1.34 0.00 0.00 175.22 174.37 3ims s THR 96 N -3.87 5.31 0.04 -4.49 2.01 -1.26 -0.85 115.64 112.53 3ims s THR 96 Ca 0.09 0.43 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 3ims s THR 96 Cb 0.01 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 3ims s THR 96 CO -0.06 0.35 1.06 0.00 -0.69 0.00 0.00 174.62 175.28 3ims s ALA 97 N 0.85 3.26 -0.08 7.40 0.00 0.18 -4.95 121.76 128.42 3ims s ALA 97 Ca 0.13 0.67 -0.00 0.00 0.00 0.00 0.00 51.96 52.76 3ims s ALA 97 Cb -0.13 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.64 3ims s ALA 97 CO 0.04 -0.27 -0.05 1.21 0.00 0.00 0.00 175.76 176.69 3ims s ASN 98 N 0.84 1.72 0.13 0.00 3.84 -1.26 -3.12 114.94 117.08 3ims s ASN 98 Ca 0.53 -0.20 0.25 0.00 0.21 0.00 0.00 52.86 53.66 3ims s ASN 98 Cb -0.25 -0.64 0.95 0.00 -0.55 0.00 0.00 41.25 40.77 3ims s ASN 98 CO 0.29 -0.12 1.78 0.47 -2.79 0.00 0.00 177.10 176.73 3ims n ASP 99 N 4.72 0.44 0.20 -4.21 8.00 -1.26 -3.12 116.55 121.32 3ims n ASP 99 Ca -0.14 0.56 0.07 0.00 0.71 0.00 0.00 54.79 55.99 3ims n ASP 99 Cb 0.50 -0.67 0.36 0.00 -0.02 0.00 0.00 41.12 41.29 3ims n ASP 99 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3ims h SER 100 N 0.00 0.00 -4.54 -2.24 0.02 -2.03 -3.45 113.55 101.30 3ims h SER 100 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 3ims h SER 100 Cb 0.54 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.13 3ims h SER 100 CO 0.00 0.32 0.07 0.61 -1.14 0.00 0.00 176.83 176.69 3ims n GLY 101 N 0.28 0.69 3.52 -3.77 0.00 -1.18 -5.08 105.19 99.65 3ims n GLY 101 Ca 0.00 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 3ims n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ims n PRO 102 N -2.05 -1.00 0.07 1.61 -0.02 -1.26 -4.95 135.00 127.39 3ims n PRO 102 Ca 0.09 -0.24 0.11 0.00 -2.02 0.00 0.00 63.50 61.44 3ims n PRO 102 Cb 0.34 -2.14 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3ims n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ims n ARG 103 N -3.60 0.47 -5.16 -0.52 5.12 -0.94 -4.73 116.66 107.30 3ims n ARG 103 Ca 0.08 0.05 -0.32 0.00 -1.93 0.00 0.00 57.85 55.73 3ims n ARG 103 Cb 0.54 -1.71 -0.17 0.00 -1.16 0.00 0.00 32.46 29.96 3ims n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3ims s ARG 104 N -3.30 3.08 -0.18 5.56 0.52 0.41 -4.70 118.95 120.34 3ims s ARG 104 Ca 0.01 -0.86 -0.05 0.00 -0.52 0.00 0.00 55.73 54.31 3ims s ARG 104 Cb 0.12 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.23 3ims s ARG 104 CO 0.79 0.18 0.00 0.71 0.02 0.00 0.00 175.30 177.00 3ims s TYR 105 N 0.36 3.08 -0.18 -0.53 1.51 0.31 -1.29 117.35 120.61 3ims s TYR 105 Ca -0.18 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 3ims s TYR 105 Cb -0.18 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.62 3ims s TYR 105 CO 0.08 -0.09 -0.09 0.99 -1.11 0.00 0.00 175.55 175.34 3ims s THR 106 N 0.65 3.17 -0.36 -0.71 2.01 0.47 -0.87 115.64 120.00 3ims s THR 106 Ca -0.00 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 3ims s THR 106 Cb -0.14 -2.39 -0.00 0.00 0.01 0.00 0.00 72.50 69.98 3ims s THR 106 CO 0.02 0.48 0.24 -0.63 -0.69 0.00 0.00 174.62 174.04 3ims s ILE 107 N 0.94 5.14 -0.03 1.82 -1.09 -0.18 -0.95 121.20 126.84 3ims s ILE 107 Ca -0.02 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 3ims s ILE 107 Cb -0.15 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 3ims s ILE 107 CO -0.00 -0.11 -0.03 0.00 -1.23 0.00 0.00 174.94 173.57 3ims s ALA 108 N 1.68 3.15 0.01 9.38 0.00 -0.55 -1.08 121.76 134.35 3ims s ALA 108 Ca 0.05 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3ims s ALA 108 Cb -0.18 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 3ims s ALA 108 CO 0.10 0.61 -0.05 0.00 0.00 0.00 0.00 175.76 176.41 3ims s ALA 109 N -0.95 0.40 -0.18 0.00 0.00 -0.05 -1.56 121.76 119.41 3ims s ALA 109 Ca 0.16 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3ims s ALA 109 Cb -0.11 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3ims s ALA 109 CO 0.06 0.03 -0.17 -1.17 0.00 0.00 0.00 175.76 174.51 3ims s LEU 110 N -0.67 2.13 -0.11 0.00 2.96 0.14 -0.92 118.68 122.21 3ims s LEU 110 Ca -0.03 -0.69 -0.03 0.00 -0.22 0.00 0.00 54.13 53.16 3ims s LEU 110 Cb -0.05 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3ims s LEU 110 CO -0.00 -0.04 0.00 -0.76 -1.32 0.00 0.00 176.35 174.23 3ims s LEU 111 N 1.34 3.56 0.21 -0.68 1.43 0.15 -1.61 118.68 123.07 3ims s LEU 111 Ca 0.03 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3ims s LEU 111 Cb -0.14 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 3ims s LEU 111 CO -0.11 0.31 -0.01 -0.44 0.23 0.00 0.00 176.35 176.32 3ims s SER 112 N -0.48 1.76 0.32 2.29 0.01 -0.10 -0.82 113.70 116.68 3ims s SER 112 Ca 0.09 -1.19 0.02 0.00 1.31 0.00 0.00 55.95 56.18 3ims s SER 112 Cb -0.12 0.02 0.59 0.00 0.21 0.00 0.00 66.02 66.72 3ims s SER 112 CO 0.02 -0.50 1.93 -0.65 0.41 0.00 0.00 173.24 174.46 3ims h PRO 113 N 2.53 0.92 -0.17 12.44 0.11 -1.99 -3.03 132.00 142.81 3ims h PRO 113 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ims h PRO 113 Cb 1.22 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3ims h PRO 113 CO 0.64 0.61 0.00 0.66 -0.21 0.00 0.00 178.00 179.70 3ims n TYR 114 N -4.48 0.33 -3.63 0.65 4.02 -1.26 -1.10 117.16 111.70 3ims n TYR 114 Ca 0.12 -0.65 -0.15 0.00 -0.01 0.00 0.00 57.90 57.22 3ims n TYR 114 Cb 0.19 -0.11 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 3ims n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3ims s SER 115 N -1.47 -0.40 0.03 7.72 1.04 -1.15 -4.98 113.70 114.50 3ims s SER 115 Ca 0.21 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 3ims s SER 115 Cb 0.15 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.73 3ims s SER 115 CO 0.07 -0.61 0.26 -0.72 0.98 0.00 0.00 173.24 173.22 3ims s TYR 116 N -1.84 -0.05 0.03 5.02 -0.85 -1.26 -0.92 117.35 117.47 3ims s TYR 116 Ca -0.09 -0.08 0.05 0.00 -0.52 0.00 0.00 57.07 56.44 3ims s TYR 116 Cb -0.02 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.35 3ims s TYR 116 CO 0.03 -0.45 -0.16 -1.12 -1.52 0.00 0.00 175.55 172.33 3ims s SER 117 N -1.92 1.92 -0.00 -0.18 0.01 -0.63 -4.99 113.70 107.89 3ims s SER 117 Ca -0.07 -0.44 -0.03 0.00 1.31 0.00 0.00 55.95 56.72 3ims s SER 117 Cb -0.02 -0.15 -0.00 0.00 0.21 0.00 0.00 66.02 66.05 3ims s SER 117 CO -0.02 0.10 0.06 0.28 0.41 0.00 0.00 173.24 174.07 3ims s THR 118 N -0.73 0.06 0.14 1.44 -1.32 -1.26 -0.68 115.64 113.29 3ims s THR 118 Ca 0.04 -0.53 0.01 0.00 -1.21 0.00 0.00 61.69 60.00 3ims s THR 118 Cb -0.08 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.61 3ims s THR 118 CO 0.01 -0.29 0.01 0.28 -2.21 0.00 0.00 174.62 172.42 3ims s THR 119 N -0.92 0.47 -0.09 5.08 -1.32 -0.60 -5.01 115.64 113.25 3ims s THR 119 Ca -0.10 -1.94 0.02 0.00 -1.21 0.00 0.00 61.69 58.46 3ims s THR 119 Cb -0.06 -1.99 -0.02 0.00 -1.51 0.00 0.00 72.50 68.92 3ims s THR 119 CO 0.00 -0.57 -0.13 0.00 -2.21 0.00 0.00 174.62 171.71 3ims s ALA 120 N -3.79 2.67 -0.26 11.08 0.00 -1.26 -1.48 121.76 128.71 3ims s ALA 120 Ca 0.21 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3ims s ALA 120 Cb 0.07 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 22.15 3ims s ALA 120 CO 0.01 0.42 -0.09 0.08 0.00 0.00 0.00 175.76 176.18 3ims s VAL 121 N -0.26 2.33 -0.26 0.00 1.01 -0.13 -4.98 120.40 118.11 3ims s VAL 121 Ca 0.02 -1.54 0.02 0.00 0.00 0.00 0.00 61.98 60.47 3ims s VAL 121 Cb -0.13 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 33.96 3ims s VAL 121 CO 0.03 -0.01 -0.10 -0.69 0.00 0.00 0.00 175.10 174.33 3ims s VAL 122 N 1.14 2.33 0.18 2.92 1.01 -1.26 -0.40 120.40 126.32 3ims s VAL 122 Ca -0.07 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 60.41 3ims s VAL 122 Cb -0.20 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3ims s VAL 122 CO -0.05 0.01 -0.00 0.42 0.00 0.00 0.00 175.10 175.48 3ims s THR 123 N 1.15 0.72 -1.30 3.92 -4.23 -0.41 -4.78 115.64 110.71 3ims s THR 123 Ca -0.07 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.56 3ims s THR 123 Cb -0.19 -2.12 0.08 0.00 1.34 0.00 0.00 72.50 71.61 3ims s THR 123 CO -0.05 -0.48 0.83 0.59 -0.54 0.00 0.00 174.62 174.97