#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1o s LEU 12 N 0.00 1.91 -0.06 2.45 2.96 -1.26 -0.86 118.68 123.82 1g1o s LEU 12 Ca 0.00 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1g1o s LEU 12 Cb 0.00 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.62 1g1o s LEU 12 CO 0.00 0.13 -0.05 -0.04 -1.32 0.00 0.00 176.35 175.07 1g1o s MET 13 N 0.27 1.01 -0.21 1.98 -1.94 -0.46 -1.78 119.30 118.16 1g1o s MET 13 Ca -0.11 -0.14 0.00 0.00 -1.71 0.00 0.00 55.69 53.73 1g1o s MET 13 Cb -0.15 -1.02 0.02 0.00 2.01 0.00 0.00 34.83 35.70 1g1o s MET 13 CO 0.05 -0.11 -0.14 0.08 -0.01 0.00 0.00 175.02 174.89 1g1o s VAL 14 N 1.08 2.37 -0.12 -6.03 1.01 -0.27 0.07 120.40 118.51 1g1o s VAL 14 Ca -0.08 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 1g1o s VAL 14 Cb -0.14 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1g1o s VAL 14 CO -0.01 0.37 -0.01 -0.54 0.00 0.00 0.00 175.10 174.92 1g1o s LYS 15 N 1.29 3.35 -0.18 2.72 1.02 0.39 -0.39 119.74 127.94 1g1o s LYS 15 Ca 0.02 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1g1o s LYS 15 Cb -0.15 -2.88 0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1g1o s LYS 15 CO -0.09 0.48 -0.11 0.08 -0.92 0.00 0.00 175.35 174.79 1g1o s VAL 16 N -0.28 1.56 -0.03 3.17 1.01 -1.25 -1.15 120.40 123.43 1g1o s VAL 16 Ca 0.06 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1g1o s VAL 16 Cb -0.12 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1g1o s VAL 16 CO 0.02 0.27 -0.16 -0.76 0.00 0.00 0.00 175.10 174.47 1g1o s LEU 17 N 1.46 2.65 -0.42 3.92 1.43 -0.21 0.12 118.68 127.63 1g1o s LEU 17 Ca 0.01 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 1g1o s LEU 17 Cb -0.15 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1g1o s LEU 17 CO -0.09 0.32 0.59 -0.62 0.23 0.00 0.00 176.35 176.78 1g1o s ASP 18 N -0.87 6.31 0.18 2.29 3.68 0.95 -0.54 116.67 128.67 1g1o s ASP 18 Ca 0.12 -0.31 0.22 0.00 2.13 0.00 0.00 52.55 54.71 1g1o s ASP 18 Cb -0.11 -2.30 0.89 0.00 -1.45 0.00 0.00 42.92 39.96 1g1o s ASP 18 CO 0.01 -0.69 1.67 0.00 0.13 0.00 0.00 175.17 176.30 1g1o n ALA 19 N 6.06 1.75 0.02 3.66 0.00 -0.33 -0.59 120.51 131.08 1g1o n ALA 19 Ca -0.03 0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 1g1o n ALA 19 Cb 0.48 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 1g1o n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1g1o h VAL 20 N 0.00 0.70 0.00 0.00 2.07 -1.92 -3.38 116.25 113.72 1g1o h VAL 20 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1g1o h VAL 20 Cb 0.38 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1g1o h VAL 20 CO 0.00 0.40 -0.53 0.54 0.02 0.00 0.00 177.57 178.00 1g1o n ARG 21 N -2.99 3.76 -3.16 1.57 1.74 -1.16 -5.01 116.66 111.42 1g1o n ARG 21 Ca -0.11 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 1g1o n ARG 21 Cb 0.92 -0.92 0.05 0.00 -1.02 0.00 0.00 32.46 31.50 1g1o n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1g1o n GLY 22 N 1.33 0.01 3.20 -0.13 0.00 0.24 -5.03 105.19 104.81 1g1o n GLY 22 Ca 0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1g1o n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g1o s SER 23 N -3.26 0.11 0.35 1.61 1.04 -1.12 -4.98 113.70 107.45 1g1o s SER 23 Ca 0.33 -0.60 -0.29 0.00 0.48 0.00 0.00 55.95 55.87 1g1o s SER 23 Cb -0.15 0.33 -0.11 0.00 0.10 0.00 0.00 66.02 66.19 1g1o s SER 23 CO 0.45 -0.69 1.54 -2.65 0.98 0.00 0.00 173.24 172.87 1g1o n PRO 24 N 0.09 2.71 -2.88 4.02 -0.02 -1.26 -0.03 135.00 137.63 1g1o n PRO 24 Ca -0.16 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 1g1o n PRO 24 Cb 0.62 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 1g1o n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g1o s ALA 25 N -0.68 3.22 0.36 3.55 0.00 0.32 -4.70 121.76 123.84 1g1o s ALA 25 Ca 0.57 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1g1o s ALA 25 Cb -0.48 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 1g1o s ALA 25 CO 0.58 -2.16 0.57 0.96 0.00 0.00 0.00 175.76 175.71 1g1o s ILE 26 N 3.68 4.87 -1.66 0.00 -4.36 -1.26 -4.29 121.20 118.18 1g1o s ILE 26 Ca 0.32 -0.49 0.00 0.00 -0.26 0.00 0.00 60.65 60.22 1g1o s ILE 26 Cb -0.12 -3.78 0.00 0.00 1.25 0.00 0.00 42.46 39.81 1g1o s ILE 26 CO 0.22 -0.51 0.00 -3.20 0.24 0.00 0.00 174.94 171.70 1g1o n ASN 27 N -1.83 -5.14 -4.69 4.36 5.15 -0.41 -4.93 115.26 107.76 1g1o n ASN 27 Ca -0.04 0.17 -0.39 0.00 -0.60 0.00 0.00 54.58 53.72 1g1o n ASN 27 Cb 0.56 -4.21 -0.06 0.00 -0.53 0.00 0.00 39.78 35.54 1g1o n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1g1o s VAL 28 N -2.79 5.10 0.08 3.44 1.01 -1.26 -4.78 120.40 121.21 1g1o s VAL 28 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 1g1o s VAL 28 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1g1o s VAL 28 CO 0.00 0.22 1.14 0.00 0.00 0.00 0.00 175.10 176.46 1g1o s ALA 29 N 1.26 3.35 -0.08 5.51 0.00 -1.26 -0.66 121.76 129.88 1g1o s ALA 29 Ca 0.28 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1g1o s ALA 29 Cb -0.16 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1g1o s ALA 29 CO 0.11 -0.34 -0.07 0.08 0.00 0.00 0.00 175.76 175.54 1g1o s VAL 30 N 0.69 0.88 -0.09 0.00 1.01 0.93 -1.43 120.40 122.39 1g1o s VAL 30 Ca 0.55 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1g1o s VAL 30 Cb -0.28 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1g1o s VAL 30 CO 0.31 0.33 -0.22 -1.00 0.00 0.00 0.00 175.10 174.51 1g1o s HIS 31 N 1.33 2.37 -0.11 5.22 3.76 -0.13 -0.74 115.29 127.00 1g1o s HIS 31 Ca -0.03 -0.96 0.01 0.00 -0.15 0.00 0.00 55.06 53.92 1g1o s HIS 31 Cb -0.14 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 1g1o s HIS 31 CO -0.03 -0.40 -0.12 0.08 -0.85 0.00 0.00 174.74 173.42 1g1o s VAL 32 N 0.39 3.19 0.30 -0.90 1.01 0.10 0.08 120.40 124.58 1g1o s VAL 32 Ca -0.18 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.23 1g1o s VAL 32 Cb -0.18 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 1g1o s VAL 32 CO 0.08 0.54 -0.04 -0.36 0.00 0.00 0.00 175.10 175.32 1g1o s PHE 33 N -0.03 2.04 -0.05 5.22 0.08 0.57 -0.15 117.98 125.67 1g1o s PHE 33 Ca -0.03 -0.70 0.04 0.00 0.12 0.00 0.00 56.93 56.37 1g1o s PHE 33 Cb -0.14 -1.21 -0.00 0.00 -0.57 0.00 0.00 43.02 41.10 1g1o s PHE 33 CO 0.04 0.30 -0.18 0.50 -0.10 0.00 0.00 175.22 175.77 1g1o s ARG 34 N -3.73 1.91 0.23 0.44 3.52 0.91 -1.34 118.95 120.88 1g1o s ARG 34 Ca 0.31 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.98 1g1o s ARG 34 Cb 0.05 -1.64 -0.09 0.00 -1.56 0.00 0.00 34.95 31.71 1g1o s ARG 34 CO 0.13 0.24 1.17 0.21 -0.81 0.00 0.00 175.30 176.24 1g1o s LYS 35 N 0.08 4.54 0.00 5.12 2.20 -0.52 0.70 119.74 131.86 1g1o s LYS 35 Ca -0.05 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 1g1o s LYS 35 Cb -0.12 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1g1o s LYS 35 CO 0.03 0.01 0.00 0.00 -0.36 0.00 0.00 175.35 175.03 1g1o n ALA 36 N 1.89 1.94 -3.68 3.13 0.00 0.70 -4.81 120.51 119.68 1g1o n ALA 36 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1g1o n ALA 36 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1g1o n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g1o s ALA 37 N -1.60 -2.36 0.03 0.00 0.00 -1.22 -5.02 121.76 111.59 1g1o s ALA 37 Ca 0.00 0.62 -0.35 0.00 0.00 0.00 0.00 51.96 52.23 1g1o s ALA 37 Cb 0.00 0.44 -0.14 0.00 0.00 0.00 0.00 23.12 23.42 1g1o s ALA 37 CO 0.00 -1.08 1.62 -0.25 0.00 0.00 0.00 175.76 176.06 1g1o n ASP 38 N -0.61 2.77 -3.54 0.00 8.00 -1.26 -2.33 116.55 119.58 1g1o n ASP 38 Ca -0.06 1.06 -0.21 0.00 0.71 0.00 0.00 54.79 56.29 1g1o n ASP 38 Cb 0.62 -1.32 0.01 0.00 -0.02 0.00 0.00 41.12 40.41 1g1o n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1g1o n ASP 39 N 4.28 -5.77 -3.30 -2.24 -0.08 -1.26 -4.99 116.55 103.20 1g1o n ASP 39 Ca 0.20 -0.56 0.03 0.00 -1.51 0.00 0.00 54.79 52.94 1g1o n ASP 39 Cb 0.25 -2.67 -0.03 0.00 2.34 0.00 0.00 41.12 41.01 1g1o n ASP 39 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1g1o s THR 40 N -2.74 -0.51 -0.05 5.18 2.01 -0.99 -5.06 115.64 113.49 1g1o s THR 40 Ca 0.07 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.13 1g1o s THR 40 Cb -0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1g1o s THR 40 CO 0.86 0.00 -0.22 0.26 -0.69 0.00 0.00 174.62 174.82 1g1o s TRP 41 N 2.65 2.18 -0.09 4.92 0.52 -1.26 -0.22 118.94 127.63 1g1o s TRP 41 Ca 0.00 -0.65 -0.07 0.00 0.02 0.00 0.00 56.10 55.41 1g1o s TRP 41 Cb -0.08 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 1g1o s TRP 41 CO -0.16 -0.20 0.17 -1.21 0.02 0.00 0.00 176.95 175.57 1g1o s GLU 42 N -0.08 3.49 0.37 4.98 0.41 0.22 -4.84 118.70 123.25 1g1o s GLU 42 Ca -0.04 -0.10 -0.27 0.00 -0.41 0.00 0.00 54.97 54.15 1g1o s GLU 42 Cb -0.13 -3.18 -0.10 0.00 -1.78 0.00 0.00 34.13 28.95 1g1o s GLU 42 CO 0.03 0.76 1.31 -2.14 -0.49 0.00 0.00 175.26 174.73 1g1o s PRO 43 N -1.16 4.16 -0.09 0.39 0.02 -1.26 -0.07 135.00 136.99 1g1o s PRO 43 Ca 0.18 2.21 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 1g1o s PRO 43 Cb -0.13 -2.92 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 1g1o s PRO 43 CO 0.07 -0.35 -0.09 0.34 -0.33 0.00 0.00 177.00 176.63 1g1o n PHE 44 N 0.46 0.00 -3.62 6.54 7.35 0.79 -4.76 117.46 124.22 1g1o n PHE 44 Ca 0.02 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.68 1g1o n PHE 44 Cb 0.42 -0.33 -0.02 0.00 0.35 0.00 0.00 39.48 39.91 1g1o n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1g1o s ALA 45 N -2.17 -2.17 0.30 3.13 0.00 -1.06 -4.93 121.76 114.85 1g1o s ALA 45 Ca -0.12 1.63 -0.20 0.00 0.00 0.00 0.00 51.96 53.27 1g1o s ALA 45 Cb 0.04 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1g1o s ALA 45 CO 0.18 -0.64 0.74 -1.54 0.00 0.00 0.00 175.76 174.50 1g1o s SER 46 N -2.23 -0.20 0.00 0.00 1.04 -1.26 0.01 113.70 111.06 1g1o s SER 46 Ca 0.11 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1g1o s SER 46 Cb 0.00 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1g1o s SER 46 CO -0.04 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.37 1g1o n GLY 47 N -0.48 -0.25 3.25 7.32 0.00 0.08 -4.99 105.19 110.12 1g1o n GLY 47 Ca -0.05 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 1g1o n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g1o s LYS 48 N -2.00 1.10 0.09 1.61 1.02 -1.26 -0.05 119.74 120.26 1g1o s LYS 48 Ca 0.00 -1.05 -0.31 0.00 0.02 0.00 0.00 55.97 54.64 1g1o s LYS 48 Cb 0.00 -1.27 -0.09 0.00 -0.52 0.00 0.00 37.83 35.94 1g1o s LYS 48 CO 0.00 0.30 1.76 0.95 -0.92 0.00 0.00 175.35 177.44 1g1o s THR 49 N -1.08 2.79 -0.08 2.17 -4.23 0.17 -4.67 115.64 110.71 1g1o s THR 49 Ca 0.05 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.81 1g1o s THR 49 Cb -0.10 -3.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 1g1o s THR 49 CO 0.03 -0.00 -0.12 -0.94 -0.54 0.00 0.00 174.62 173.05 1g1o s SER 50 N 2.72 4.16 -0.06 3.99 1.04 0.57 -1.29 113.70 124.83 1g1o s SER 50 Ca 0.78 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 57.02 1g1o s SER 50 Cb -0.43 -1.20 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 1g1o s SER 50 CO 0.35 0.28 -0.09 -0.70 0.98 0.00 0.00 173.24 174.05 1g1o s GLU 51 N -0.33 2.66 -0.30 4.02 2.12 -1.25 -2.97 118.70 122.65 1g1o s GLU 51 Ca 0.03 -0.60 -0.10 0.00 0.36 0.00 0.00 54.97 54.66 1g1o s GLU 51 Cb -0.13 -2.52 0.17 0.00 0.26 0.00 0.00 34.13 31.92 1g1o s GLU 51 CO 0.02 0.65 0.88 0.45 -0.54 0.00 0.00 175.26 176.72 1g1o s SER 52 N -0.78 -0.80 0.07 -1.70 0.15 -0.48 -5.02 113.70 105.15 1g1o s SER 52 Ca 0.12 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1g1o s SER 52 Cb -0.11 1.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.96 1g1o s SER 52 CO 0.01 -0.15 0.00 -1.20 1.20 0.00 0.00 173.24 173.10 1g1o n SER 53 N 5.32 0.00 0.00 5.45 7.64 -1.26 -0.10 113.62 130.67 1g1o n SER 53 Ca -0.06 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.87 1g1o n SER 53 Cb 0.52 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 64.02 1g1o n SER 53 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1g1o n ASP 54 N 0.04 0.00 -4.39 6.43 -0.08 -1.26 -4.52 116.55 112.77 1g1o n ASP 54 Ca 0.00 -0.51 -0.44 0.00 -1.51 0.00 0.00 54.79 52.32 1g1o n ASP 54 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1g1o n ASP 54 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1g1o s SER 55 N -1.90 6.18 -0.50 1.67 1.04 0.86 -4.94 113.70 116.12 1g1o s SER 55 Ca 0.15 -1.27 0.08 0.00 0.48 0.00 0.00 55.95 55.38 1g1o s SER 55 Cb 0.07 -2.24 0.35 0.00 0.10 0.00 0.00 66.02 64.30 1g1o s SER 55 CO 0.11 -0.81 0.89 0.00 0.98 0.00 0.00 173.24 174.42 1g1o n HIS 56 N 5.66 2.76 -1.24 5.02 1.44 -1.26 -1.38 115.22 126.22 1g1o n HIS 56 Ca -0.10 -3.85 0.00 0.00 -2.01 0.00 0.00 57.72 51.76 1g1o n HIS 56 Cb 0.44 -0.44 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1g1o n HIS 56 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1g1o n GLY 57 N -0.10 2.62 2.94 -1.39 0.00 -1.16 -3.97 105.19 104.13 1g1o n GLY 57 Ca 0.29 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1g1o n GLY 57 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g1o s LEU 58 N 0.00 1.38 -0.20 0.99 2.96 0.47 -0.32 118.68 123.97 1g1o s LEU 58 Ca 0.00 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1g1o s LEU 58 Cb 0.00 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 1g1o s LEU 58 CO 0.00 -0.11 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.01 1g1o s THR 59 N 1.64 3.76 0.12 3.68 2.01 -1.26 -1.11 115.64 124.47 1g1o s THR 59 Ca 0.04 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1g1o s THR 59 Cb -0.13 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1g1o s THR 59 CO -0.09 0.43 0.27 0.42 -0.69 0.00 0.00 174.62 174.96 1g1o s THR 60 N 1.06 5.34 -0.04 -0.82 -4.23 -0.74 -5.03 115.64 111.19 1g1o s THR 60 Ca 0.02 -0.55 0.12 0.00 -1.18 0.00 0.00 61.69 60.10 1g1o s THR 60 Cb -0.14 -3.70 -0.23 0.00 1.34 0.00 0.00 72.50 69.76 1g1o s THR 60 CO 0.01 -0.02 0.69 1.05 -0.54 0.00 0.00 174.62 175.81 1g1o h GLU 61 N 2.47 0.00 -6.91 3.99 4.11 -1.99 -3.36 114.58 112.89 1g1o h GLU 61 Ca -0.47 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.40 1g1o h GLU 61 Cb 1.18 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.55 1g1o h GLU 61 CO 0.71 0.51 0.62 0.39 0.07 0.00 0.00 179.01 181.31 1g1o n GLU 62 N -3.05 2.17 -3.85 1.06 4.71 -1.26 -4.89 120.64 115.53 1g1o n GLU 62 Ca -0.16 0.77 -0.35 0.00 -0.01 0.00 0.00 57.16 57.41 1g1o n GLU 62 Cb 1.05 -2.52 -0.05 0.00 -1.01 0.00 0.00 31.44 28.90 1g1o n GLU 62 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1g1o s GLU 63 N -2.29 3.49 0.34 3.49 0.41 -1.26 -4.52 118.70 118.37 1g1o s GLU 63 Ca 0.60 -0.19 -0.23 0.00 -0.41 0.00 0.00 54.97 54.74 1g1o s GLU 63 Cb -0.48 -3.11 -0.10 0.00 -1.78 0.00 0.00 34.13 28.66 1g1o s GLU 63 CO 0.59 0.69 0.89 -0.06 -0.49 0.00 0.00 175.26 176.88 1g1o s PHE 64 N -1.25 3.54 0.29 1.61 0.40 -1.26 -5.07 117.98 116.24 1g1o s PHE 64 Ca 0.24 1.62 0.08 0.00 -0.60 0.00 0.00 56.93 58.27 1g1o s PHE 64 Cb -0.13 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.55 1g1o s PHE 64 CO 0.14 0.12 0.18 0.14 0.70 0.00 0.00 175.22 176.50 1g1o s VAL 65 N -1.81 3.82 0.31 -0.44 -7.23 -1.26 -4.97 120.40 108.81 1g1o s VAL 65 Ca 0.53 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.89 1g1o s VAL 65 Cb -0.15 -3.19 -0.13 0.00 0.56 0.00 0.00 36.38 33.48 1g1o s VAL 65 CO 0.19 -0.28 1.28 1.21 -0.31 0.00 0.00 175.10 177.19 1g1o n GLU 66 N -1.18 1.99 0.00 4.82 2.13 -1.26 -4.75 120.64 122.39 1g1o n GLU 66 Ca -0.05 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1g1o n GLU 66 Cb 0.59 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1g1o n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1g1o n GLY 67 N 1.21 0.04 3.73 8.31 0.00 -1.08 -4.99 105.19 112.40 1g1o n GLY 67 Ca 0.07 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 1g1o n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g1o s ILE 68 N -1.65 5.20 0.18 -0.61 1.01 -1.26 -0.27 121.20 123.80 1g1o s ILE 68 Ca 0.00 0.87 0.10 0.00 0.00 0.00 0.00 60.65 61.62 1g1o s ILE 68 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1g1o s ILE 68 CO 0.00 0.35 -0.20 -0.31 0.00 0.00 0.00 174.94 174.78 1g1o s TYR 69 N 0.51 2.00 -0.07 3.97 1.51 0.10 -1.43 117.35 123.93 1g1o s TYR 69 Ca 0.24 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 1g1o s TYR 69 Cb -0.15 -0.99 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1g1o s TYR 69 CO 0.09 0.40 -0.12 0.21 -1.11 0.00 0.00 175.55 175.02 1g1o s LYS 70 N -2.75 1.74 -0.26 -0.62 2.20 -0.45 -1.38 119.74 118.22 1g1o s LYS 70 Ca 0.18 -0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 55.32 1g1o s LYS 70 Cb -0.07 -1.47 0.00 0.00 -1.51 0.00 0.00 37.83 34.78 1g1o s LYS 70 CO 0.08 -0.01 0.02 0.08 -0.36 0.00 0.00 175.35 175.16 1g1o s VAL 71 N 0.79 3.65 -0.23 4.02 1.01 0.27 -0.31 120.40 129.60 1g1o s VAL 71 Ca -0.12 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1g1o s VAL 71 Cb -0.15 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1g1o s VAL 71 CO 0.02 0.20 0.09 -1.61 0.00 0.00 0.00 175.10 173.81 1g1o s GLU 72 N 1.47 3.86 -0.18 2.72 2.02 0.11 -0.87 118.70 127.84 1g1o s GLU 72 Ca 0.03 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.65 1g1o s GLU 72 Cb -0.16 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 30.74 1g1o s GLU 72 CO -0.00 0.02 -0.20 0.42 0.02 0.00 0.00 175.26 175.52 1g1o s ILE 73 N 1.09 2.09 -1.36 -1.63 1.01 0.13 -0.96 121.20 121.56 1g1o s ILE 73 Ca 0.05 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 1g1o s ILE 73 Cb -0.14 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.53 1g1o s ILE 73 CO 0.04 0.54 1.94 -0.67 0.00 0.00 0.00 174.94 176.78 1g1o n ASP 74 N 4.60 4.51 0.12 3.58 2.03 -0.52 -1.29 116.55 129.59 1g1o n ASP 74 Ca -0.21 -2.91 -0.02 0.00 0.52 0.00 0.00 54.79 52.17 1g1o n ASP 74 Cb 0.50 -1.68 0.16 0.00 -0.72 0.00 0.00 41.12 39.39 1g1o n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1g1o h THR 75 N 4.67 1.42 -0.45 5.18 1.35 -1.87 -3.27 112.91 119.94 1g1o h THR 75 Ca 0.49 -2.03 0.02 0.00 -0.55 0.00 0.00 66.41 64.34 1g1o h THR 75 Cb 0.75 2.07 -0.03 0.00 -1.73 0.00 0.00 68.15 69.22 1g1o h THR 75 CO 1.64 0.59 0.26 0.50 -0.25 0.00 0.00 175.52 178.26 1g1o h LYS 76 N 0.06 0.51 -0.39 4.72 3.64 -1.77 -2.38 116.57 120.95 1g1o h LYS 76 Ca -0.01 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1g1o h LYS 76 Cb 1.08 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1g1o h LYS 76 CO 0.08 0.33 0.01 0.77 -2.27 0.00 0.00 179.45 178.38 1g1o h SER 77 N 0.52 0.59 -0.49 4.20 0.02 -1.90 -0.64 113.55 115.85 1g1o h SER 77 Ca 0.18 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1g1o h SER 77 Cb 0.02 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1g1o h SER 77 CO -0.09 0.66 0.31 0.22 -1.14 0.00 0.00 176.83 176.79 1g1o h TYR 78 N 0.59 0.59 0.01 3.45 3.20 -1.51 -1.78 116.97 121.52 1g1o h TYR 78 Ca 0.12 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.75 1g1o h TYR 78 Cb 0.37 -0.19 0.02 0.00 1.54 0.00 0.00 36.73 38.46 1g1o h TYR 78 CO 0.02 0.36 -1.03 -1.49 -1.64 0.00 0.00 178.16 174.37 1g1o h TRP 79 N 0.63 0.90 -0.85 -3.82 -0.00 -1.21 -3.23 115.95 108.37 1g1o h TRP 79 Ca 0.19 -0.50 0.00 0.00 -0.00 0.00 0.00 58.89 58.58 1g1o h TRP 79 Cb -0.03 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.16 28.99 1g1o h TRP 79 CO -0.05 1.33 0.53 0.87 -0.00 0.00 0.00 178.44 181.12 1g1o h LYS 80 N 0.33 1.14 0.00 0.49 1.79 -1.03 0.19 116.57 119.48 1g1o h LYS 80 Ca -0.12 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1g1o h LYS 80 Cb 1.68 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 1g1o h LYS 80 CO 0.19 0.78 0.00 0.00 -1.08 0.00 0.00 179.45 179.35 1g1o n ALA 81 N -2.41 1.77 -0.03 3.86 0.00 -0.68 -1.43 120.51 121.60 1g1o n ALA 81 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1g1o n ALA 81 Cb 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1g1o n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1g1o n LEU 82 N -0.93 0.96 0.00 0.00 4.77 0.60 -4.98 117.00 117.43 1g1o n LEU 82 Ca 0.05 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1g1o n LEU 82 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1g1o n LEU 82 CO 0.04 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1g1o n GLY 83 N 0.00 0.58 3.49 -0.72 0.00 -0.51 -5.04 105.19 102.98 1g1o n GLY 83 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1g1o n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g1o s ILE 84 N -2.00 3.69 -0.80 -0.61 1.01 -0.86 -5.03 121.20 116.61 1g1o s ILE 84 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1g1o s ILE 84 Cb 0.00 -2.58 0.21 0.00 0.01 0.00 0.00 42.46 40.10 1g1o s ILE 84 CO 0.00 0.52 0.72 -0.55 0.00 0.00 0.00 174.94 175.63 1g1o s SER 85 N 0.15 6.57 0.74 3.58 0.15 -1.26 -3.16 113.70 120.48 1g1o s SER 85 Ca -0.03 -2.69 -0.13 0.00 0.70 0.00 0.00 55.95 53.80 1g1o s SER 85 Cb -0.14 -2.17 0.05 0.00 -1.71 0.00 0.00 66.02 62.05 1g1o s SER 85 CO 0.03 -0.56 1.13 -2.16 1.20 0.00 0.00 173.24 172.89 1g1o s PRO 86 N 0.17 2.24 -0.01 5.44 0.04 -1.26 -5.00 135.00 136.62 1g1o s PRO 86 Ca 0.17 1.43 -0.23 0.00 0.04 0.00 0.00 61.00 62.41 1g1o s PRO 86 Cb -0.12 -1.88 -0.19 0.00 0.04 0.00 0.00 34.50 32.36 1g1o s PRO 86 CO -0.08 -1.69 1.24 0.35 0.04 0.00 0.00 177.00 176.86 1g1o h PHE 87 N -0.66 0.22 -3.35 0.56 3.57 -1.80 -3.44 116.94 112.04 1g1o h PHE 87 Ca -0.45 -0.08 -0.55 0.00 3.53 0.00 0.00 57.97 60.41 1g1o h PHE 87 Cb 1.26 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 1g1o h PHE 87 CO 0.53 0.69 0.36 -1.01 -2.23 0.00 0.00 178.31 176.65 1g1o s HIS 88 N -4.01 3.57 0.33 0.41 3.76 -1.26 -4.94 115.29 113.16 1g1o s HIS 88 Ca -0.15 1.51 0.33 0.00 -0.15 0.00 0.00 55.06 56.59 1g1o s HIS 88 Cb 0.03 -3.05 1.57 0.00 1.11 0.00 0.00 32.58 32.24 1g1o s HIS 88 CO 0.72 -0.07 2.08 0.93 -0.85 0.00 0.00 174.74 177.54 1g1o h GLU 89 N 6.94 0.00 0.00 1.40 4.39 -2.00 -3.39 114.58 121.92 1g1o h GLU 89 Ca -0.37 0.00 0.34 0.00 0.34 0.00 0.00 59.36 59.67 1g1o h GLU 89 Cb 1.18 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 1g1o h GLU 89 CO 0.79 0.07 0.88 -2.39 -1.16 0.00 0.00 179.01 177.19 1g1o n HIS 90 N -3.32 -0.36 -3.93 4.33 1.44 -1.26 -4.29 115.22 107.84 1g1o n HIS 90 Ca -0.01 -0.68 -0.29 0.00 -2.01 0.00 0.00 57.72 54.72 1g1o n HIS 90 Cb 0.25 0.31 -0.16 0.00 0.12 0.00 0.00 29.99 30.51 1g1o n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1g1o s ALA 91 N -1.97 1.75 0.04 1.59 0.00 -0.41 -4.90 121.76 117.87 1g1o s ALA 91 Ca 0.29 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1g1o s ALA 91 Cb -0.01 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1g1o s ALA 91 CO -0.01 -0.95 0.05 -2.00 0.00 0.00 0.00 175.76 172.85 1g1o s GLU 92 N 1.50 2.85 -0.18 0.00 2.12 -1.26 -0.70 118.70 123.04 1g1o s GLU 92 Ca -0.02 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.62 1g1o s GLU 92 Cb -0.17 -2.72 0.06 0.00 0.26 0.00 0.00 34.13 31.57 1g1o s GLU 92 CO -0.07 0.59 0.07 0.08 -0.54 0.00 0.00 175.26 175.39 1g1o s VAL 93 N -1.27 0.09 -0.12 3.70 1.01 -0.04 -4.98 120.40 118.79 1g1o s VAL 93 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1g1o s VAL 93 Cb -0.12 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1g1o s VAL 93 CO 0.17 -0.25 -0.08 -0.69 0.00 0.00 0.00 175.10 174.25 1g1o s VAL 94 N 2.06 3.57 0.23 2.92 1.01 -1.26 -0.56 120.40 128.36 1g1o s VAL 94 Ca 0.01 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 1g1o s VAL 94 Cb -0.16 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1g1o s VAL 94 CO -0.09 0.53 0.60 0.72 0.00 0.00 0.00 175.10 176.87 1g1o s PHE 95 N -0.00 -0.12 -0.16 5.22 -0.71 -0.48 -5.01 117.98 116.72 1g1o s PHE 95 Ca -0.01 -0.26 -0.07 0.00 -1.04 0.00 0.00 56.93 55.56 1g1o s PHE 95 Cb -0.14 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1g1o s PHE 95 CO 0.03 -1.05 0.07 0.99 -1.34 0.00 0.00 175.22 173.93 1g1o s THR 96 N -3.90 4.92 0.31 -4.49 2.01 -1.26 0.02 115.64 113.25 1g1o s THR 96 Ca 0.11 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.21 1g1o s THR 96 Cb -0.03 -3.18 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1g1o s THR 96 CO 0.02 0.51 -0.10 0.00 -0.69 0.00 0.00 174.62 174.36 1g1o s ALA 97 N -0.08 2.97 -0.48 7.40 0.00 0.62 -4.75 121.76 127.44 1g1o s ALA 97 Ca 0.07 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1g1o s ALA 97 Cb -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1g1o s ALA 97 CO 0.01 0.16 0.00 0.09 0.00 0.00 0.00 175.76 176.02 1g1o n ASN 98 N -0.79 -1.85 0.06 0.00 4.13 -1.26 -2.64 115.26 112.92 1g1o n ASN 98 Ca -0.05 0.27 0.07 0.00 1.68 0.00 0.00 54.58 56.55 1g1o n ASN 98 Cb 0.62 -1.80 0.31 0.00 -1.54 0.00 0.00 39.78 37.37 1g1o n ASN 98 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1g1o n ASP 99 N -0.79 0.26 0.00 6.41 5.75 -1.26 -2.09 116.55 124.83 1g1o n ASP 99 Ca -0.06 0.59 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 1g1o n ASP 99 Cb 0.39 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1g1o n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1g1o n SER 100 N -1.81 0.87 0.00 -1.12 7.64 -1.26 -5.13 113.62 112.80 1g1o n SER 100 Ca 0.01 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1g1o n SER 100 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1g1o n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g1o n GLY 101 N -0.18 2.21 3.54 0.23 0.00 -0.89 -5.04 105.19 105.07 1g1o n GLY 101 Ca 0.00 -2.07 -0.47 0.00 0.00 0.00 0.00 46.02 43.48 1g1o n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1g1o n PRO 102 N -1.33 1.62 -4.36 1.61 -0.02 -1.26 -4.32 135.00 126.94 1g1o n PRO 102 Ca 0.00 0.47 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 1g1o n PRO 102 Cb 0.00 -2.83 -0.10 0.00 -0.02 0.00 0.00 33.50 30.55 1g1o n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1g1o s ARG 103 N 5.99 1.36 -0.18 -0.52 1.81 -1.26 -4.97 118.95 121.17 1g1o s ARG 103 Ca 1.03 -1.65 -0.07 0.00 -1.72 0.00 0.00 55.73 53.33 1g1o s ARG 103 Cb -0.61 -0.98 -0.04 0.00 -0.45 0.00 0.00 34.95 32.88 1g1o s ARG 103 CO 0.43 0.08 0.04 0.50 -0.68 0.00 0.00 175.30 175.67 1g1o s ARG 104 N -3.72 3.87 -0.08 3.54 3.52 -1.15 -4.89 118.95 120.04 1g1o s ARG 104 Ca 0.25 -0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.47 1g1o s ARG 104 Cb 0.02 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 1g1o s ARG 104 CO 0.08 0.21 -0.12 0.71 -0.81 0.00 0.00 175.30 175.37 1g1o s TYR 105 N 0.52 2.80 -0.22 5.12 1.51 -0.04 -1.28 117.35 125.76 1g1o s TYR 105 Ca 0.02 -0.24 -0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1g1o s TYR 105 Cb -0.13 -1.72 0.06 0.00 -0.11 0.00 0.00 41.96 40.06 1g1o s TYR 105 CO 0.01 0.11 -0.02 0.99 -1.11 0.00 0.00 175.55 175.53 1g1o s THR 106 N -0.44 1.18 -0.20 -0.71 2.01 -0.49 -1.36 115.64 115.64 1g1o s THR 106 Ca 0.06 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 1g1o s THR 106 Cb -0.12 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1g1o s THR 106 CO 0.02 -0.12 0.07 -0.63 -0.69 0.00 0.00 174.62 173.27 1g1o s ILE 107 N 1.56 4.80 -0.10 1.82 1.01 0.11 -1.45 121.20 128.94 1g1o s ILE 107 Ca -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1g1o s ILE 107 Cb -0.18 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1g1o s ILE 107 CO -0.07 0.43 -0.14 0.00 0.00 0.00 0.00 174.94 175.17 1g1o s ALA 108 N 0.60 2.62 -0.10 9.38 0.00 0.08 -0.46 121.76 133.88 1g1o s ALA 108 Ca 0.04 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1g1o s ALA 108 Cb -0.13 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.88 1g1o s ALA 108 CO 0.01 0.34 -0.17 0.00 0.00 0.00 0.00 175.76 175.94 1g1o s ALA 109 N 0.02 1.78 -0.24 0.00 0.00 -0.30 -0.37 121.76 122.65 1g1o s ALA 109 Ca -0.05 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1g1o s ALA 109 Cb -0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1g1o s ALA 109 CO 0.04 0.04 0.00 -1.17 0.00 0.00 0.00 175.76 174.67 1g1o s LEU 110 N 0.78 3.15 -0.11 0.00 2.96 0.45 -1.04 118.68 124.86 1g1o s LEU 110 Ca -0.11 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1g1o s LEU 110 Cb -0.16 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1g1o s LEU 110 CO 0.01 -0.04 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.20 1g1o s LEU 111 N 1.52 3.29 0.07 -0.68 1.43 0.30 -1.71 118.68 122.89 1g1o s LEU 111 Ca 0.06 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1g1o s LEU 111 Cb -0.15 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1g1o s LEU 111 CO -0.01 0.29 -0.10 -0.44 0.23 0.00 0.00 176.35 176.32 1g1o s SER 112 N -0.34 1.22 0.25 2.29 0.01 0.35 -1.18 113.70 116.30 1g1o s SER 112 Ca 0.06 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 56.63 1g1o s SER 112 Cb -0.12 0.01 0.50 0.00 0.21 0.00 0.00 66.02 66.62 1g1o s SER 112 CO 0.02 -0.20 1.72 -0.65 0.41 0.00 0.00 173.24 174.54 1g1o h PRO 113 N 4.13 0.41 -0.51 12.44 0.11 -1.99 -2.45 132.00 144.14 1g1o h PRO 113 Ca -0.37 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.51 1g1o h PRO 113 Cb 1.19 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.09 1g1o h PRO 113 CO 0.45 0.27 0.12 0.66 -0.21 0.00 0.00 178.00 179.29 1g1o n TYR 114 N -5.02 1.63 -3.59 0.65 4.02 -1.26 -2.21 117.16 111.37 1g1o n TYR 114 Ca 0.16 -1.40 -0.07 0.00 -0.01 0.00 0.00 57.90 56.57 1g1o n TYR 114 Cb 0.46 -0.56 -0.04 0.00 -0.02 0.00 0.00 39.34 39.17 1g1o n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1g1o s SER 115 N -1.92 -0.25 -0.05 7.72 0.15 -0.92 -4.98 113.70 113.45 1g1o s SER 115 Ca 0.48 0.23 -0.25 0.00 0.70 0.00 0.00 55.95 57.11 1g1o s SER 115 Cb 0.41 0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.99 1g1o s SER 115 CO 0.06 -0.27 0.56 -0.72 1.20 0.00 0.00 173.24 174.07 1g1o s TYR 116 N -1.37 -0.51 0.05 3.44 -0.85 -1.26 -0.50 117.35 116.35 1g1o s TYR 116 Ca 0.03 0.88 0.03 0.00 -0.52 0.00 0.00 57.07 57.49 1g1o s TYR 116 Cb -0.01 0.30 -0.02 0.00 0.38 0.00 0.00 41.96 42.61 1g1o s TYR 116 CO -0.02 -0.52 -0.09 -1.54 -1.52 0.00 0.00 175.55 171.85 1g1o s SER 117 N -1.15 1.05 -0.03 -0.18 1.04 -0.69 -4.96 113.70 108.78 1g1o s SER 117 Ca -0.11 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.79 1g1o s SER 117 Cb -0.02 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 1g1o s SER 117 CO 0.08 -0.17 -0.12 0.28 0.98 0.00 0.00 173.24 174.29 1g1o s THR 118 N -1.33 1.00 0.08 2.02 -1.32 -1.26 -0.41 115.64 114.42 1g1o s THR 118 Ca -0.08 -0.49 0.07 0.00 -1.21 0.00 0.00 61.69 59.98 1g1o s THR 118 Cb -0.10 -0.87 -0.03 0.00 -1.51 0.00 0.00 72.50 69.99 1g1o s THR 118 CO 0.01 0.30 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.65 1g1o s THR 119 N 0.09 1.45 -0.05 5.08 2.01 0.50 -4.97 115.64 119.74 1g1o s THR 119 Ca -0.02 -1.38 0.04 0.00 0.31 0.00 0.00 61.69 60.64 1g1o s THR 119 Cb -0.09 -1.33 -0.00 0.00 0.01 0.00 0.00 72.50 71.09 1g1o s THR 119 CO 0.01 -0.09 -0.17 0.00 -0.69 0.00 0.00 174.62 173.68 1g1o s ALA 120 N -1.14 1.55 -0.19 7.40 0.00 -1.26 -0.74 121.76 127.37 1g1o s ALA 120 Ca 0.03 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1g1o s ALA 120 Cb -0.10 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1g1o s ALA 120 CO 0.03 0.27 -0.14 0.08 0.00 0.00 0.00 175.76 176.00 1g1o s VAL 121 N 0.10 1.81 -0.21 0.00 1.01 -0.53 -5.00 120.40 117.58 1g1o s VAL 121 Ca -0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 1g1o s VAL 121 Cb -0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1g1o s VAL 121 CO 0.03 0.29 -0.06 -0.69 0.00 0.00 0.00 175.10 174.67 1g1o s VAL 122 N 1.34 3.30 0.07 2.92 1.01 -1.26 -1.39 120.40 126.40 1g1o s VAL 122 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1g1o s VAL 122 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1g1o s VAL 122 CO -0.09 0.44 0.06 0.42 0.00 0.00 0.00 175.10 175.92 1g1o s THR 123 N 1.35 4.43 0.00 3.92 -4.23 -0.41 -4.93 115.64 115.77 1g1o s THR 123 Ca 0.04 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1g1o s THR 123 Cb -0.14 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1g1o s THR 123 CO -0.03 0.15 0.00 -0.46 -0.54 0.00 0.00 174.62 173.74