#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rox n PRO 11 N 0.00 1.32 -3.65 0.00 -0.04 -1.26 -4.71 135.00 126.67 2rox n PRO 11 Ca 0.00 -0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 62.85 2rox n PRO 11 Cb 0.00 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 2rox n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2rox s LEU 12 N -1.64 -0.34 0.03 1.53 2.96 -1.26 -3.06 118.68 116.90 2rox s LEU 12 Ca 0.32 0.59 0.04 0.00 -0.22 0.00 0.00 54.13 54.86 2rox s LEU 12 Cb 0.16 0.77 -0.02 0.00 0.50 0.00 0.00 46.19 47.60 2rox s LEU 12 CO 0.25 -0.24 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.89 2rox s MET 13 N 2.44 0.78 0.01 1.98 -1.94 -0.58 -4.21 119.30 117.78 2rox s MET 13 Ca 0.01 -0.64 0.07 0.00 -1.71 0.00 0.00 55.69 53.42 2rox s MET 13 Cb -0.12 -0.74 -0.02 0.00 2.01 0.00 0.00 34.83 35.96 2rox s MET 13 CO -0.09 0.18 -0.20 0.08 -0.01 0.00 0.00 175.02 174.98 2rox s VAL 14 N -0.78 1.61 -0.03 -6.03 1.01 -1.00 -1.05 120.40 114.12 2rox s VAL 14 Ca -0.00 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2rox s VAL 14 Cb -0.07 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.97 2rox s VAL 14 CO 0.01 0.35 -0.03 -0.75 0.00 0.00 0.00 175.10 174.68 2rox s LYS 15 N -0.74 0.60 -0.04 2.72 2.47 -0.65 -1.66 119.74 122.44 2rox s LYS 15 Ca 0.08 -0.05 0.03 0.00 -1.56 0.00 0.00 55.97 54.47 2rox s LYS 15 Cb -0.08 -0.66 0.00 0.00 -1.46 0.00 0.00 37.83 35.63 2rox s LYS 15 CO 0.00 -0.08 -0.14 0.08 0.16 0.00 0.00 175.35 175.38 2rox s VAL 16 N 0.83 1.18 0.09 4.02 1.01 0.85 -1.32 120.40 127.05 2rox s VAL 16 Ca -0.10 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2rox s VAL 16 Cb -0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2rox s VAL 16 CO -0.00 0.35 -0.16 -0.76 0.00 0.00 0.00 175.10 174.53 2rox s LEU 17 N 0.25 2.32 -0.27 3.92 1.43 -0.72 -0.81 118.68 124.79 2rox s LEU 17 Ca -0.07 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.25 2rox s LEU 17 Cb -0.12 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2rox s LEU 17 CO 0.02 -0.06 0.15 -0.62 0.23 0.00 0.00 176.35 176.08 2rox s ASP 18 N -1.96 5.75 0.04 2.29 -1.08 0.10 -1.05 116.67 120.75 2rox s ASP 18 Ca 0.03 -0.07 0.25 0.00 -0.52 0.00 0.00 52.55 52.24 2rox s ASP 18 Cb -0.09 -2.06 0.46 0.00 -1.46 0.00 0.00 42.92 39.77 2rox s ASP 18 CO 0.03 -0.04 1.38 0.00 0.52 0.00 0.00 175.17 177.06 2rox n ALA 19 N 5.01 3.33 -0.02 3.66 0.00 0.05 -1.66 120.51 130.88 2rox n ALA 19 Ca -0.15 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 52.76 2rox n ALA 19 Cb 0.52 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 2rox n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2rox h VAL 20 N 0.00 0.91 0.00 0.00 2.07 -1.95 -3.38 116.25 113.90 2rox h VAL 20 Ca 0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 2rox h VAL 20 Cb 0.58 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2rox h VAL 20 CO 0.00 0.66 -1.33 0.54 0.02 0.00 0.00 177.57 177.45 2rox n ARG 21 N -3.95 0.25 -3.09 1.57 1.74 -1.26 -5.00 116.66 106.92 2rox n ARG 21 Ca -0.28 -0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 56.60 2rox n ARG 21 Cb 0.88 -1.52 0.07 0.00 -1.02 0.00 0.00 32.46 30.87 2rox n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rox n GLY 22 N 1.41 -0.23 3.25 -0.13 0.00 -0.67 -5.05 105.19 103.78 2rox n GLY 22 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2rox n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rox s SER 23 N -3.99 0.12 0.51 1.61 1.04 -1.08 -4.99 113.70 106.92 2rox s SER 23 Ca 0.03 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.41 2rox s SER 23 Cb -0.00 0.37 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 2rox s SER 23 CO 0.57 -0.80 1.34 -2.16 0.98 0.00 0.00 173.24 173.18 2rox s PRO 24 N -3.93 3.38 -0.59 4.02 0.04 -1.26 0.01 135.00 136.66 2rox s PRO 24 Ca 0.12 2.21 -0.23 0.00 0.04 0.00 0.00 61.00 63.14 2rox s PRO 24 Cb 0.05 -2.39 0.05 0.00 0.04 0.00 0.00 34.50 32.25 2rox s PRO 24 CO -0.05 -0.99 0.91 0.00 0.04 0.00 0.00 177.00 176.91 2rox s ALA 25 N -1.31 3.17 -0.05 8.56 0.00 0.01 -4.65 121.76 127.49 2rox s ALA 25 Ca 0.68 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2rox s ALA 25 Cb -0.39 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 18.95 2rox s ALA 25 CO 0.48 -2.50 0.11 0.96 0.00 0.00 0.00 175.76 174.80 2rox s ILE 26 N 3.85 5.02 -0.50 0.00 -4.36 -1.26 -4.36 121.20 119.59 2rox s ILE 26 Ca 0.25 -0.17 -0.02 0.00 -0.26 0.00 0.00 60.65 60.45 2rox s ILE 26 Cb -0.15 -3.25 0.00 0.00 1.25 0.00 0.00 42.46 40.31 2rox s ILE 26 CO 0.15 0.45 0.28 0.59 0.24 0.00 0.00 174.94 176.65 2rox n ASN 27 N 1.48 -3.23 -4.83 4.36 4.13 0.35 -4.96 115.26 112.57 2rox n ASN 27 Ca -0.15 -0.13 -0.38 0.00 1.68 0.00 0.00 54.58 55.60 2rox n ASN 27 Cb 0.53 -2.01 -0.06 0.00 -1.54 0.00 0.00 39.78 36.70 2rox n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2rox s VAL 28 N -2.87 4.99 -0.07 2.41 1.01 -1.26 -4.72 120.40 119.89 2rox s VAL 28 Ca 0.14 0.87 -0.27 0.00 0.00 0.00 0.00 61.98 62.72 2rox s VAL 28 Cb -0.06 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2rox s VAL 28 CO 0.17 0.56 0.86 0.00 0.00 0.00 0.00 175.10 176.69 2rox s ALA 29 N -1.10 3.33 -0.06 5.51 0.00 -1.26 -0.39 121.76 127.78 2rox s ALA 29 Ca 0.25 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.52 2rox s ALA 29 Cb -0.17 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2rox s ALA 29 CO 0.14 -0.34 -0.17 0.08 0.00 0.00 0.00 175.76 175.47 2rox s VAL 30 N 1.34 1.50 -0.07 0.00 1.01 0.16 -1.48 120.40 122.87 2rox s VAL 30 Ca 0.44 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2rox s VAL 30 Cb -0.19 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2rox s VAL 30 CO 0.20 0.43 -0.12 -1.00 0.00 0.00 0.00 175.10 174.61 2rox s HIS 31 N 0.30 1.47 -0.06 5.22 3.76 -0.03 -1.28 115.29 124.67 2rox s HIS 31 Ca -0.11 -0.55 0.03 0.00 -0.15 0.00 0.00 55.06 54.28 2rox s HIS 31 Cb -0.14 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.44 2rox s HIS 31 CO 0.04 -0.28 -0.13 0.08 -0.85 0.00 0.00 174.74 173.60 2rox s VAL 32 N 0.69 3.20 0.10 -0.90 1.01 0.21 -0.64 120.40 124.06 2rox s VAL 32 Ca -0.14 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.23 2rox s VAL 32 Cb -0.16 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2rox s VAL 32 CO 0.03 0.59 -0.15 -0.36 0.00 0.00 0.00 175.10 175.22 2rox s PHE 33 N -0.68 1.34 -0.13 5.22 0.08 0.70 -1.56 117.98 122.94 2rox s PHE 33 Ca 0.10 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 56.68 2rox s PHE 33 Cb -0.11 -0.73 0.01 0.00 -0.57 0.00 0.00 43.02 41.62 2rox s PHE 33 CO 0.01 0.10 -0.22 0.50 -0.10 0.00 0.00 175.22 175.51 2rox s ARG 34 N -2.19 3.00 -0.10 0.44 3.52 -1.05 -0.16 118.95 122.39 2rox s ARG 34 Ca 0.04 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 54.49 2rox s ARG 34 Cb -0.08 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.90 2rox s ARG 34 CO 0.03 0.02 1.41 0.21 -0.81 0.00 0.00 175.30 176.16 2rox s LYS 35 N 0.72 4.23 0.33 5.12 2.20 0.63 -2.53 119.74 130.44 2rox s LYS 35 Ca -0.09 1.88 -0.05 0.00 -0.36 0.00 0.00 55.97 57.35 2rox s LYS 35 Cb -0.16 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.30 2rox s LYS 35 CO 0.00 -0.73 0.61 0.00 -0.36 0.00 0.00 175.35 174.88 2rox s ALA 36 N 3.50 3.56 0.23 3.13 0.00 -0.53 -4.70 121.76 126.95 2rox s ALA 36 Ca 0.62 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.90 2rox s ALA 36 Cb -0.27 -2.38 0.27 0.00 0.00 0.00 0.00 23.12 20.75 2rox s ALA 36 CO 0.22 0.12 1.49 0.00 0.00 0.00 0.00 175.76 177.58 2rox n ALA 37 N -1.21 -0.05 0.00 0.00 0.00 -1.26 0.46 120.51 118.44 2rox n ALA 37 Ca -0.01 0.97 0.00 0.00 0.00 0.00 0.00 53.44 54.40 2rox n ALA 37 Cb 0.54 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2rox n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2rox n ASP 38 N -5.44 0.00 -0.27 0.00 9.92 -1.26 -4.68 116.55 114.82 2rox n ASP 38 Ca 0.11 0.14 -0.04 0.00 -0.53 0.00 0.00 54.79 54.47 2rox n ASP 38 Cb 0.40 -0.14 -0.02 0.00 -0.64 0.00 0.00 41.12 40.73 2rox n ASP 38 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2rox n ASP 39 N -1.03 -4.37 -5.00 -2.24 9.92 1.62 -5.01 116.55 110.45 2rox n ASP 39 Ca 0.00 0.09 -0.18 0.00 -0.53 0.00 0.00 54.79 54.17 2rox n ASP 39 Cb 0.08 -2.18 0.02 0.00 -0.64 0.00 0.00 41.12 38.39 2rox n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2rox s THR 40 N -1.82 3.02 -0.14 -3.53 -4.23 -1.21 -4.80 115.64 102.93 2rox s THR 40 Ca 0.00 -0.92 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 2rox s THR 40 Cb 0.00 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 2rox s THR 40 CO 0.00 -0.02 0.39 0.26 -0.54 0.00 0.00 174.62 174.71 2rox s TRP 41 N -2.43 3.49 0.01 3.99 0.52 -1.26 -1.45 118.94 121.80 2rox s TRP 41 Ca 0.55 0.75 0.08 0.00 0.02 0.00 0.00 56.10 57.49 2rox s TRP 41 Cb -0.10 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.75 2rox s TRP 41 CO 0.34 0.21 -0.23 -1.83 0.02 0.00 0.00 176.95 175.46 2rox s GLU 42 N 0.53 1.73 0.28 4.98 -1.05 -1.05 -4.97 118.70 119.15 2rox s GLU 42 Ca 0.21 -0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 2rox s GLU 42 Cb -0.14 -1.78 -0.13 0.00 -0.44 0.00 0.00 34.13 31.64 2rox s GLU 42 CO 0.07 0.47 1.38 -2.30 0.95 0.00 0.00 175.26 175.84 2rox n PRO 43 N 2.15 2.12 0.00 -4.83 -0.02 -1.26 -2.54 135.00 130.62 2rox n PRO 43 Ca -0.16 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2rox n PRO 43 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2rox n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2rox n PHE 44 N 1.42 0.00 -3.50 6.00 7.35 -0.60 -4.84 117.46 123.29 2rox n PHE 44 Ca 0.09 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.69 2rox n PHE 44 Cb 0.33 0.12 -0.02 0.00 0.35 0.00 0.00 39.48 40.27 2rox n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2rox s ALA 45 N -1.99 -1.80 0.24 3.13 0.00 -1.09 -5.01 121.76 115.24 2rox s ALA 45 Ca 0.00 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 2rox s ALA 45 Cb 0.00 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.57 2rox s ALA 45 CO 0.00 -0.68 0.61 -1.54 0.00 0.00 0.00 175.76 174.15 2rox s SER 46 N -2.45 -0.26 0.00 0.00 1.04 -1.26 0.64 113.70 111.40 2rox s SER 46 Ca 0.04 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2rox s SER 46 Cb -0.01 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2rox s SER 46 CO -0.09 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.54 2rox n GLY 47 N -0.41 0.19 3.30 7.32 0.00 -0.40 -5.00 105.19 110.19 2rox n GLY 47 Ca -0.06 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2rox n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rox s LYS 48 N -2.00 2.94 0.54 1.61 1.02 -1.25 0.39 119.74 123.00 2rox s LYS 48 Ca 0.00 -0.82 -0.22 0.00 0.02 0.00 0.00 55.97 54.95 2rox s LYS 48 Cb 0.00 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 2rox s LYS 48 CO 0.00 0.29 1.33 0.25 -0.92 0.00 0.00 175.35 176.30 2rox n THR 49 N 3.24 3.77 -0.16 2.17 -2.24 0.48 -4.79 114.28 116.74 2rox n THR 49 Ca -0.18 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2rox n THR 49 Cb 0.53 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 2rox n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2rox n SER 50 N -0.92 -0.02 0.12 3.42 3.41 0.66 -0.49 113.62 119.79 2rox n SER 50 Ca 0.10 -0.16 0.13 0.00 -0.26 0.00 0.00 58.87 58.68 2rox n SER 50 Cb 0.44 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.84 2rox n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2rox n GLU 51 N -0.18 0.24 -0.40 4.33 1.02 -1.26 -2.54 120.64 121.85 2rox n GLU 51 Ca 0.00 0.31 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 2rox n GLU 51 Cb 0.00 -1.84 0.24 0.00 -0.02 0.00 0.00 31.44 29.82 2rox n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2rox n SER 52 N -2.27 3.72 -2.40 1.62 3.41 -1.26 -4.84 113.62 111.60 2rox n SER 52 Ca 0.04 -2.88 -0.20 0.00 -0.26 0.00 0.00 58.87 55.57 2rox n SER 52 Cb 0.35 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2rox n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rox n GLY 53 N -0.39 -0.44 3.44 5.00 0.00 -1.05 -4.83 105.19 106.92 2rox n GLY 53 Ca 0.20 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2rox n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rox s GLU 54 N -5.16 1.58 -0.15 1.61 2.02 -1.26 -0.11 118.70 117.23 2rox s GLU 54 Ca 0.08 -1.42 -0.02 0.00 0.02 0.00 0.00 54.97 53.63 2rox s GLU 54 Cb -0.04 -1.92 0.05 0.00 0.10 0.00 0.00 34.13 32.32 2rox s GLU 54 CO 0.10 0.42 0.02 -1.17 0.02 0.00 0.00 175.26 174.66 2rox s LEU 55 N -2.49 0.92 0.48 1.80 2.96 -0.66 -0.25 118.68 121.44 2rox s LEU 55 Ca 0.19 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 2rox s LEU 55 Cb -0.09 -0.52 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 2rox s LEU 55 CO 0.10 -0.27 0.01 -1.00 -1.32 0.00 0.00 176.35 173.86 2rox s HIS 56 N 1.91 2.08 -1.20 5.38 3.76 -1.26 -2.38 115.29 123.58 2rox s HIS 56 Ca 0.01 -0.86 -0.34 0.00 -0.15 0.00 0.00 55.06 53.72 2rox s HIS 56 Cb -0.15 -1.66 0.05 0.00 1.11 0.00 0.00 32.58 31.92 2rox s HIS 56 CO -0.07 0.30 0.68 0.41 -0.85 0.00 0.00 174.74 175.21 2rox n GLY 57 N -1.17 -0.86 0.10 -2.22 0.00 -1.26 -4.85 105.19 94.94 2rox n GLY 57 Ca -0.15 0.34 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2rox n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rox h LEU 58 N -2.58 0.00 0.00 0.99 3.38 -1.88 -3.49 115.31 111.73 2rox h LEU 58 Ca -0.72 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.12 2rox h LEU 58 Cb 1.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 2rox h LEU 58 CO 0.51 0.69 -0.03 1.07 0.09 0.00 0.00 178.44 180.78 2rox n THR 59 N -3.04 0.00 -4.33 0.22 5.66 -1.26 -4.81 114.28 106.72 2rox n THR 59 Ca -0.08 -0.97 -0.17 0.00 -3.05 0.00 0.00 64.05 59.78 2rox n THR 59 Cb 0.87 0.65 -0.10 0.00 -1.55 0.00 0.00 70.33 70.20 2rox n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2rox s THR 60 N -2.62 1.12 0.21 1.09 -4.23 -1.26 -4.52 115.64 105.43 2rox s THR 60 Ca 0.16 -2.05 -0.09 0.00 -1.18 0.00 0.00 61.69 58.53 2rox s THR 60 Cb -0.01 -2.27 0.15 0.00 1.34 0.00 0.00 72.50 71.72 2rox s THR 60 CO 0.11 -0.39 1.80 -0.33 -0.54 0.00 0.00 174.62 175.27 2rox h GLU 61 N 2.51 1.13 -0.76 3.99 3.07 -1.99 0.27 114.58 122.79 2rox h GLU 61 Ca -0.38 -0.17 0.03 0.00 -0.50 0.00 0.00 59.36 58.34 2rox h GLU 61 Cb 1.22 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 28.88 2rox h GLU 61 CO 0.64 0.88 0.50 0.93 -1.40 0.00 0.00 179.01 180.56 2rox h GLU 62 N 1.11 0.93 0.00 2.33 4.39 -2.05 -2.99 114.58 118.30 2rox h GLU 62 Ca 0.27 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2rox h GLU 62 Cb 0.12 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2rox h GLU 62 CO -0.03 0.62 -1.73 0.39 -1.16 0.00 0.00 179.01 177.10 2rox n GLU 63 N -4.44 0.50 -2.13 2.33 -0.58 -1.09 -4.68 120.64 110.55 2rox n GLU 63 Ca 0.09 -0.14 -0.39 0.00 -0.42 0.00 0.00 57.16 56.30 2rox n GLU 63 Cb 0.09 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 2rox n GLU 63 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2rox n PHE 64 N -2.08 3.65 -2.47 -0.32 7.35 0.06 -4.97 117.46 118.68 2rox n PHE 64 Ca -0.02 -2.40 -0.27 0.00 -0.76 0.00 0.00 57.45 54.00 2rox n PHE 64 Cb 0.51 -2.51 0.02 0.00 0.35 0.00 0.00 39.48 37.85 2rox n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2rox s VAL 65 N 5.84 3.95 0.68 -2.13 -7.23 -1.26 -4.93 120.40 115.32 2rox s VAL 65 Ca 0.57 0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 60.60 2rox s VAL 65 Cb 0.06 -3.55 -0.06 0.00 0.56 0.00 0.00 36.38 33.40 2rox s VAL 65 CO 0.07 -0.55 0.50 -0.62 -0.31 0.00 0.00 175.10 174.19 2rox n GLU 66 N -2.49 0.36 -0.81 4.82 1.02 -1.25 -4.87 120.64 117.42 2rox n GLU 66 Ca 0.04 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2rox n GLU 66 Cb 0.57 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2rox n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rox n GLY 67 N 1.72 0.49 3.47 0.62 0.00 -0.75 -4.99 105.19 105.74 2rox n GLY 67 Ca 0.10 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 2rox n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rox s ILE 68 N -2.10 4.32 0.13 -0.61 1.01 -1.26 -0.70 121.20 121.99 2rox s ILE 68 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.57 2rox s ILE 68 Cb 0.00 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2rox s ILE 68 CO 0.00 0.36 -0.18 -0.31 0.00 0.00 0.00 174.94 174.81 2rox s TYR 69 N 1.39 2.50 -0.08 3.97 1.51 -0.50 -0.27 117.35 125.88 2rox s TYR 69 Ca 0.05 -0.28 -0.00 0.00 -1.01 0.00 0.00 57.07 55.83 2rox s TYR 69 Cb -0.15 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.42 2rox s TYR 69 CO 0.03 0.41 -0.03 0.21 -1.11 0.00 0.00 175.55 175.05 2rox s LYS 70 N -2.25 0.93 -0.24 -0.62 2.20 0.77 -1.91 119.74 118.61 2rox s LYS 70 Ca 0.19 -0.05 -0.07 0.00 -0.36 0.00 0.00 55.97 55.68 2rox s LYS 70 Cb -0.10 -1.12 -0.03 0.00 -1.51 0.00 0.00 37.83 35.07 2rox s LYS 70 CO 0.10 -0.24 0.06 0.08 -0.36 0.00 0.00 175.35 175.00 2rox s VAL 71 N 1.64 4.29 -0.16 4.02 1.01 -0.46 -0.22 120.40 130.52 2rox s VAL 71 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 2rox s VAL 71 Cb -0.13 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2rox s VAL 71 CO -0.05 0.35 -0.14 -0.70 0.00 0.00 0.00 175.10 174.56 2rox s GLU 72 N 1.55 3.25 -0.20 2.72 2.12 0.19 -0.81 118.70 127.52 2rox s GLU 72 Ca 0.06 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.64 2rox s GLU 72 Cb -0.15 -2.67 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 2rox s GLU 72 CO 0.03 0.01 -0.08 0.42 -0.54 0.00 0.00 175.26 175.11 2rox s ILE 73 N 0.85 3.18 -1.24 -3.70 1.01 0.13 -0.85 121.20 120.58 2rox s ILE 73 Ca -0.04 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 2rox s ILE 73 Cb -0.15 -2.42 0.09 0.00 0.01 0.00 0.00 42.46 39.99 2rox s ILE 73 CO -0.00 0.46 1.63 -0.62 0.00 0.00 0.00 174.94 176.40 2rox s ASP 74 N 1.20 6.83 0.35 3.58 2.15 -0.55 -1.15 116.67 129.08 2rox s ASP 74 Ca 0.02 -2.40 0.18 0.00 0.43 0.00 0.00 52.55 50.77 2rox s ASP 74 Cb -0.14 -2.54 0.53 0.00 -0.30 0.00 0.00 42.92 40.46 2rox s ASP 74 CO -0.02 -1.14 1.66 0.71 -0.17 0.00 0.00 175.17 176.21 2rox h THR 75 N 5.58 0.91 0.43 1.71 1.35 -1.88 -3.26 112.91 117.75 2rox h THR 75 Ca 0.38 -1.73 -0.02 0.00 -0.55 0.00 0.00 66.41 64.50 2rox h THR 75 Cb 0.89 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 2rox h THR 75 CO 1.41 0.41 -0.21 0.50 -0.25 0.00 0.00 175.52 177.39 2rox h LYS 76 N 0.00 -0.55 -0.97 4.72 3.64 -1.77 -2.15 116.57 119.49 2rox h LYS 76 Ca -0.00 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.53 2rox h LYS 76 Cb 1.02 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.89 2rox h LYS 76 CO 0.05 -0.26 0.62 0.77 -2.27 0.00 0.00 179.45 178.36 2rox h SER 77 N -0.83 0.86 -0.45 4.20 0.02 -1.89 -0.57 113.55 114.89 2rox h SER 77 Ca -0.06 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 2rox h SER 77 Cb 0.55 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2rox h SER 77 CO 0.10 0.46 0.04 0.22 -1.14 0.00 0.00 176.83 176.51 2rox h TYR 78 N 0.93 0.83 -0.01 3.45 3.20 -1.58 -2.69 116.97 121.10 2rox h TYR 78 Ca 0.48 -0.13 -0.24 0.00 3.14 0.00 0.00 58.73 61.98 2rox h TYR 78 Cb 0.52 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.58 2rox h TYR 78 CO -0.00 0.79 -0.96 -1.49 -1.64 0.00 0.00 178.16 174.86 2rox h TRP 79 N 0.63 0.77 -0.82 -3.82 -0.00 -0.74 -3.19 115.95 108.78 2rox h TRP 79 Ca 0.13 -0.41 0.02 0.00 -0.00 0.00 0.00 58.89 58.63 2rox h TRP 79 Cb 0.43 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.46 2rox h TRP 79 CO 0.03 1.24 0.54 0.87 -0.00 0.00 0.00 178.44 181.12 2rox h LYS 80 N 0.30 1.03 0.00 0.49 1.57 -1.11 -1.12 116.57 117.72 2rox h LYS 80 Ca -0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2rox h LYS 80 Cb 1.60 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 2rox h LYS 80 CO 0.18 0.68 -0.05 0.00 -0.57 0.00 0.00 179.45 179.69 2rox h ALA 81 N 1.51 1.05 -0.03 3.86 0.00 -1.46 0.52 119.26 124.71 2rox h ALA 81 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2rox h ALA 81 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2rox h ALA 81 CO -0.08 0.06 -0.04 1.28 0.00 0.00 0.00 179.25 180.47 2rox n LEU 82 N -3.21 2.79 -2.41 0.00 4.77 -0.75 -4.95 117.00 113.24 2rox n LEU 82 Ca -0.01 -0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 54.93 2rox n LEU 82 Cb 0.26 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 2rox n LEU 82 CO 0.27 0.47 0.08 0.61 -1.33 0.00 0.00 177.39 177.49 2rox n GLY 83 N 1.34 -0.01 3.10 -0.72 0.00 0.18 -5.04 105.19 104.05 2rox n GLY 83 Ca 0.14 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2rox n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rox s ILE 84 N -3.21 1.23 -0.47 -0.61 1.01 -0.50 -5.01 121.20 113.64 2rox s ILE 84 Ca 0.08 -0.62 -0.27 0.00 0.00 0.00 0.00 60.65 59.84 2rox s ILE 84 Cb -0.03 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.41 2rox s ILE 84 CO 0.43 0.36 1.01 -0.55 0.00 0.00 0.00 174.94 176.19 2rox s SER 85 N -0.02 6.55 0.34 3.58 0.15 -1.26 -3.46 113.70 119.58 2rox s SER 85 Ca -0.01 0.25 -0.09 0.00 0.70 0.00 0.00 55.95 56.79 2rox s SER 85 Cb -0.10 -2.49 -0.06 0.00 -1.71 0.00 0.00 66.02 61.66 2rox s SER 85 CO 0.01 -1.13 0.67 -2.16 1.20 0.00 0.00 173.24 171.83 2rox s PRO 86 N 4.03 3.75 -0.13 5.44 0.04 -1.26 -4.86 135.00 142.01 2rox s PRO 86 Ca 0.41 0.30 -0.26 0.00 0.04 0.00 0.00 61.00 61.49 2rox s PRO 86 Cb -0.09 -2.51 -0.23 0.00 0.04 0.00 0.00 34.50 31.71 2rox s PRO 86 CO 0.29 0.10 0.74 0.35 0.04 0.00 0.00 177.00 178.52 2rox h PHE 87 N 1.62 -0.01 -3.98 0.56 3.57 -1.52 -3.47 116.94 113.72 2rox h PHE 87 Ca -0.47 -0.00 -0.45 0.00 3.53 0.00 0.00 57.97 60.57 2rox h PHE 87 Cb 1.19 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 2rox h PHE 87 CO 0.60 0.86 0.34 -1.01 -2.23 0.00 0.00 178.31 176.87 2rox s HIS 88 N -2.32 3.47 -0.21 0.41 3.76 -1.26 -4.96 115.29 114.18 2rox s HIS 88 Ca -0.17 1.68 0.21 0.00 -0.15 0.00 0.00 55.06 56.63 2rox s HIS 88 Cb -0.02 -2.88 0.39 0.00 1.11 0.00 0.00 32.58 31.17 2rox s HIS 88 CO 0.62 0.03 1.60 0.93 -0.85 0.00 0.00 174.74 177.08 2rox h GLU 89 N 2.45 0.00 0.00 1.40 4.39 -1.97 -3.39 114.58 117.45 2rox h GLU 89 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2rox h GLU 89 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2rox h GLU 89 CO 0.63 0.22 0.00 -2.39 -1.16 0.00 0.00 179.01 176.31 2rox n HIS 90 N -3.19 0.00 -4.39 4.33 1.44 -1.26 -4.21 115.22 107.94 2rox n HIS 90 Ca 0.02 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.39 2rox n HIS 90 Cb 0.58 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.59 2rox n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2rox s ALA 91 N -2.00 3.25 0.10 1.59 0.00 -0.30 -4.94 121.76 119.46 2rox s ALA 91 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.18 2rox s ALA 91 Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2rox s ALA 91 CO 0.00 0.60 -0.16 -1.21 0.00 0.00 0.00 175.76 174.99 2rox s GLU 92 N -0.97 0.97 -0.20 0.00 2.02 -1.26 0.21 118.70 119.47 2rox s GLU 92 Ca 0.14 -1.12 -0.04 0.00 0.02 0.00 0.00 54.97 53.97 2rox s GLU 92 Cb -0.11 -0.98 0.09 0.00 0.10 0.00 0.00 34.13 33.22 2rox s GLU 92 CO 0.03 0.21 0.19 0.08 0.02 0.00 0.00 175.26 175.79 2rox s VAL 93 N -1.62 -0.26 -0.18 2.63 1.01 0.01 -4.98 120.40 117.00 2rox s VAL 93 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2rox s VAL 93 Cb -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2rox s VAL 93 CO 0.03 -0.26 0.01 -0.69 0.00 0.00 0.00 175.10 174.20 2rox s VAL 94 N 2.27 4.22 0.06 2.92 1.01 -1.26 -1.35 120.40 128.26 2rox s VAL 94 Ca 0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 2rox s VAL 94 Cb -0.16 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.34 2rox s VAL 94 CO -0.13 0.45 0.25 0.72 0.00 0.00 0.00 175.10 176.39 2rox s PHE 95 N 0.65 -0.00 -0.29 5.22 -0.71 -0.80 -5.04 117.98 117.00 2rox s PHE 95 Ca 0.00 -0.24 -0.12 0.00 -1.04 0.00 0.00 56.93 55.54 2rox s PHE 95 Cb -0.14 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 2rox s PHE 95 CO 0.02 -0.50 0.24 0.99 -1.34 0.00 0.00 175.22 174.64 2rox s THR 96 N -2.90 5.27 -0.48 -4.49 2.01 -1.26 -1.40 115.64 112.38 2rox s THR 96 Ca -0.02 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 2rox s THR 96 Cb 0.00 -3.62 0.09 0.00 0.01 0.00 0.00 72.50 68.98 2rox s THR 96 CO -0.06 0.16 0.41 0.00 -0.69 0.00 0.00 174.62 174.44 2rox s ALA 97 N 1.83 3.56 -0.42 7.40 0.00 0.12 -4.94 121.76 129.31 2rox s ALA 97 Ca 0.09 -2.21 0.05 0.00 0.00 0.00 0.00 51.96 49.89 2rox s ALA 97 Cb -0.16 -3.08 0.43 0.00 0.00 0.00 0.00 23.12 20.31 2rox s ALA 97 CO 0.11 -1.78 1.16 0.09 0.00 0.00 0.00 175.76 175.33 2rox n ASN 98 N 5.19 4.84 -3.43 0.00 3.02 -1.26 -1.81 115.26 121.81 2rox n ASN 98 Ca -0.12 -3.73 -0.24 0.00 -0.03 0.00 0.00 54.58 50.46 2rox n ASN 98 Cb 0.43 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 39.00 2rox n ASN 98 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2rox n ASP 99 N -0.54 -0.46 -0.00 6.41 2.03 -1.26 -4.44 116.55 118.29 2rox n ASP 99 Ca 0.41 -0.15 0.01 0.00 0.52 0.00 0.00 54.79 55.58 2rox n ASP 99 Cb 0.72 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 40.55 2rox n ASP 99 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2rox n SER 100 N 6.07 1.89 0.00 1.67 3.41 -1.26 -5.00 113.62 120.41 2rox n SER 100 Ca 0.51 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2rox n SER 100 Cb 0.07 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.06 2rox n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rox n GLY 101 N 1.59 0.33 3.26 5.00 0.00 -1.26 -5.14 105.19 108.97 2rox n GLY 101 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2rox n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2rox s PRO 102 N 0.00 -3.18 0.00 1.61 0.02 -1.26 -4.99 135.00 127.20 2rox s PRO 102 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.21 2rox s PRO 102 Cb 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 34.50 33.18 2rox s PRO 102 CO 0.00 -5.05 0.00 2.89 -0.33 0.00 0.00 177.00 174.51 2rox n ARG 103 N -5.77 0.00 -3.44 5.54 1.85 -0.31 -4.77 116.66 109.76 2rox n ARG 103 Ca 0.12 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.60 2rox n ARG 103 Cb 0.60 -0.53 -0.06 0.00 -1.05 0.00 0.00 32.46 31.42 2rox n ARG 103 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2rox s ARG 104 N -1.70 3.95 -0.09 2.89 1.81 -0.57 -4.86 118.95 120.38 2rox s ARG 104 Ca 0.00 0.44 0.01 0.00 -1.72 0.00 0.00 55.73 54.47 2rox s ARG 104 Cb 0.00 -3.11 0.02 0.00 -0.45 0.00 0.00 34.95 31.41 2rox s ARG 104 CO 0.00 0.61 -0.11 0.71 -0.68 0.00 0.00 175.30 175.83 2rox s TYR 105 N -1.24 1.53 -0.21 -0.53 1.51 -1.17 -1.71 117.35 115.52 2rox s TYR 105 Ca 0.30 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2rox s TYR 105 Cb -0.16 -1.17 0.04 0.00 -0.11 0.00 0.00 41.96 40.56 2rox s TYR 105 CO 0.17 -0.39 -0.13 0.99 -1.11 0.00 0.00 175.55 175.08 2rox s THR 106 N 1.11 1.85 -0.51 -0.71 2.01 -0.67 -1.53 115.64 117.19 2rox s THR 106 Ca -0.06 -1.12 -0.18 0.00 0.31 0.00 0.00 61.69 60.64 2rox s THR 106 Cb -0.14 -1.87 0.07 0.00 0.01 0.00 0.00 72.50 70.57 2rox s THR 106 CO -0.02 0.21 0.55 -0.63 -0.69 0.00 0.00 174.62 174.04 2rox s ILE 107 N 1.31 5.01 -0.12 1.82 -1.09 -0.22 -1.05 121.20 126.86 2rox s ILE 107 Ca -0.01 -0.82 -0.06 0.00 -2.23 0.00 0.00 60.65 57.53 2rox s ILE 107 Cb -0.16 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2rox s ILE 107 CO -0.09 -0.78 0.09 0.00 -1.23 0.00 0.00 174.94 172.94 2rox s ALA 108 N 2.23 3.66 -0.03 9.38 0.00 0.50 -1.63 121.76 135.86 2rox s ALA 108 Ca 0.10 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2rox s ALA 108 Cb -0.22 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.06 2rox s ALA 108 CO 0.09 0.54 -0.05 0.00 0.00 0.00 0.00 175.76 176.34 2rox s ALA 109 N -0.76 0.58 -0.24 0.00 0.00 -0.44 -0.42 121.76 120.48 2rox s ALA 109 Ca 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 2rox s ALA 109 Cb -0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2rox s ALA 109 CO 0.03 0.03 -0.01 -1.17 0.00 0.00 0.00 175.76 174.64 2rox s LEU 110 N 0.58 3.15 0.01 0.00 2.96 0.20 -1.76 118.68 123.81 2rox s LEU 110 Ca -0.07 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2rox s LEU 110 Cb -0.11 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2rox s LEU 110 CO -0.00 -0.06 0.07 -0.76 -1.32 0.00 0.00 176.35 174.28 2rox s LEU 111 N 1.49 3.82 -0.08 -0.68 1.43 -0.22 -1.24 118.68 123.21 2rox s LEU 111 Ca 0.05 0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 2rox s LEU 111 Cb -0.15 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.81 2rox s LEU 111 CO -0.01 0.25 0.26 -0.44 0.23 0.00 0.00 176.35 176.64 2rox s SER 112 N -1.86 -0.24 0.32 2.29 0.01 0.14 -0.77 113.70 113.59 2rox s SER 112 Ca 0.24 0.41 0.09 0.00 1.31 0.00 0.00 55.95 57.99 2rox s SER 112 Cb -0.12 0.49 0.88 0.00 0.21 0.00 0.00 66.02 67.47 2rox s SER 112 CO 0.15 -0.17 1.71 -0.65 0.41 0.00 0.00 173.24 174.69 2rox h PRO 113 N 5.32 0.48 -0.54 12.44 0.11 -1.99 -0.46 132.00 147.36 2rox h PRO 113 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2rox h PRO 113 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2rox h PRO 113 CO 0.35 0.32 0.00 0.66 -0.21 0.00 0.00 178.00 179.12 2rox n TYR 114 N -4.95 0.71 -3.49 0.65 4.02 -1.26 -1.23 117.16 111.60 2rox n TYR 114 Ca 0.26 -0.40 -0.13 0.00 -0.01 0.00 0.00 57.90 57.62 2rox n TYR 114 Cb 0.76 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 40.04 2rox n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2rox s SER 115 N -1.14 -0.52 -0.23 7.72 0.15 -0.18 -4.96 113.70 114.53 2rox s SER 115 Ca 0.40 0.27 -0.17 0.00 0.70 0.00 0.00 55.95 57.16 2rox s SER 115 Cb 0.22 0.49 0.07 0.00 -1.71 0.00 0.00 66.02 65.09 2rox s SER 115 CO 0.29 -0.69 0.60 -0.72 1.20 0.00 0.00 173.24 173.91 2rox s TYR 116 N -2.46 -0.81 0.00 3.44 -0.85 -1.26 0.29 117.35 115.71 2rox s TYR 116 Ca -0.02 1.75 0.05 0.00 -0.52 0.00 0.00 57.07 58.32 2rox s TYR 116 Cb -0.01 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.70 2rox s TYR 116 CO -0.03 -0.40 -0.14 -1.54 -1.52 0.00 0.00 175.55 171.92 2rox s SER 117 N 1.06 4.10 -0.02 -0.18 1.04 -0.37 -4.95 113.70 114.38 2rox s SER 117 Ca -0.06 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.11 2rox s SER 117 Cb -0.05 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.26 2rox s SER 117 CO -0.10 0.29 -0.02 0.28 0.98 0.00 0.00 173.24 174.67 2rox s THR 118 N -0.88 0.28 0.06 2.02 -1.32 -1.26 0.59 115.64 115.13 2rox s THR 118 Ca 0.14 -0.06 0.04 0.00 -1.21 0.00 0.00 61.69 60.60 2rox s THR 118 Cb -0.11 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 2rox s THR 118 CO 0.04 0.12 -0.11 0.28 -2.21 0.00 0.00 174.62 172.75 2rox s THR 119 N 0.45 0.84 -0.12 5.08 -1.32 0.44 -4.99 115.64 116.02 2rox s THR 119 Ca -0.05 -1.23 0.03 0.00 -1.21 0.00 0.00 61.69 59.23 2rox s THR 119 Cb -0.08 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 2rox s THR 119 CO -0.01 -0.32 -0.21 0.00 -2.21 0.00 0.00 174.62 171.87 2rox s ALA 120 N -1.41 2.28 -0.37 11.08 0.00 -1.26 -0.37 121.76 131.70 2rox s ALA 120 Ca -0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 2rox s ALA 120 Cb -0.09 -0.95 0.09 0.00 0.00 0.00 0.00 23.12 22.17 2rox s ALA 120 CO 0.01 0.18 0.14 0.08 0.00 0.00 0.00 175.76 176.17 2rox s VAL 121 N 0.50 3.18 -0.45 0.00 1.01 -0.22 -4.96 120.40 119.46 2rox s VAL 121 Ca -0.14 -1.84 -0.13 0.00 0.00 0.00 0.00 61.98 59.87 2rox s VAL 121 Cb -0.17 -3.08 0.07 0.00 0.00 0.00 0.00 36.38 33.20 2rox s VAL 121 CO 0.05 -0.50 0.34 -0.69 0.00 0.00 0.00 175.10 174.29 2rox s VAL 122 N 1.17 4.88 0.52 2.92 1.01 -1.26 -1.68 120.40 127.97 2rox s VAL 122 Ca 0.04 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.92 2rox s VAL 122 Cb -0.22 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2rox s VAL 122 CO -0.03 -0.52 0.19 0.42 0.00 0.00 0.00 175.10 175.15 2rox s THR 123 N 1.57 1.45 -0.09 3.92 -4.23 -0.70 -4.97 115.64 112.59 2rox s THR 123 Ca 0.04 -1.76 0.05 0.00 -1.18 0.00 0.00 61.69 58.84 2rox s THR 123 Cb -0.23 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.32 2rox s THR 123 CO 0.05 0.00 -0.01 -3.20 -0.54 0.00 0.00 174.62 170.92 2rox n ASN 124 N -1.48 3.07 0.00 3.99 2.85 -1.26 -1.17 115.26 121.26 2rox n ASN 124 Ca -0.10 -0.02 0.02 0.00 -0.11 0.00 0.00 54.58 54.37 2rox n ASN 124 Cb 0.66 0.40 0.15 0.00 1.24 0.00 0.00 39.78 42.22 2rox n ASN 124 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34