#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr3 s SER 2 N 0.00 5.78 -1.46 1.61 0.15 -1.26 -2.02 113.70 116.50 2cr3 s SER 2 Ca 0.00 1.93 -0.10 0.00 0.70 0.00 0.00 55.95 58.48 2cr3 s SER 2 Cb 0.00 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 2cr3 s SER 2 CO 0.00 -1.70 0.93 -1.20 1.20 0.00 0.00 173.24 172.47 2cr3 n SER 3 N 10.45 -5.45 0.00 5.45 7.64 -1.26 -4.61 113.62 125.84 2cr3 n SER 3 Ca 0.26 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2cr3 n SER 3 Cb 0.44 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 2cr3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr3 n GLY 4 N -1.71 1.08 3.43 0.23 0.00 -0.86 -4.94 105.19 102.42 2cr3 n GLY 4 Ca -0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 2cr3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr3 n SER 5 N 1.91 -5.71 -3.60 1.61 2.88 -1.26 -4.77 113.62 104.67 2cr3 n SER 5 Ca 0.00 -0.51 -0.41 0.00 -1.33 0.00 0.00 58.87 56.63 2cr3 n SER 5 Cb 0.00 -4.71 0.01 0.00 -0.75 0.00 0.00 64.21 58.76 2cr3 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cr3 n SER 6 N -2.71 7.55 -1.90 -3.46 7.64 -1.26 -4.98 113.62 114.49 2cr3 n SER 6 Ca -0.02 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.32 2cr3 n SER 6 Cb 0.57 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2cr3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr3 n GLY 7 N 0.40 0.26 3.33 0.23 0.00 -1.26 -5.13 105.19 103.03 2cr3 n GLY 7 Ca 0.51 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 2cr3 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cr3 s VAL 8 N 0.20 0.29 -0.28 1.61 1.01 -1.26 -5.13 120.40 116.84 2cr3 s VAL 8 Ca 0.00 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 59.75 2cr3 s VAL 8 Cb 0.00 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 2cr3 s VAL 8 CO 0.00 0.00 0.77 -1.83 0.00 0.00 0.00 175.10 174.04 2cr3 s GLU 9 N -3.78 4.04 -0.68 2.72 -1.05 -1.26 -5.01 118.70 113.69 2cr3 s GLU 9 Ca 0.36 0.67 -0.07 0.00 -0.15 0.00 0.00 54.97 55.77 2cr3 s GLU 9 Cb 0.05 -3.70 0.18 0.00 -0.44 0.00 0.00 34.13 30.22 2cr3 s GLU 9 CO 0.18 -0.60 0.53 0.08 0.95 0.00 0.00 175.26 176.41 2cr3 s VAL 10 N 2.86 4.34 -0.12 1.83 1.01 -1.26 -3.06 120.40 125.99 2cr3 s VAL 10 Ca 0.32 -2.72 -0.29 0.00 0.00 0.00 0.00 61.98 59.29 2cr3 s VAL 10 Cb -0.15 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 2cr3 s VAL 10 CO 0.11 -0.92 2.06 -0.70 0.00 0.00 0.00 175.10 175.65 2cr3 s GLU 11 N 0.11 3.58 0.40 2.72 2.12 -1.06 -4.60 118.70 121.97 2cr3 s GLU 11 Ca 0.16 2.21 -0.19 0.00 0.36 0.00 0.00 54.97 57.51 2cr3 s GLU 11 Cb -0.18 -4.26 -0.10 0.00 0.26 0.00 0.00 34.13 29.85 2cr3 s GLU 11 CO -0.05 -1.59 0.89 0.45 -0.54 0.00 0.00 175.26 174.42 2cr3 s SER 12 N 6.40 6.88 0.21 -1.70 0.15 -1.26 0.73 113.70 125.10 2cr3 s SER 12 Ca 0.93 1.56 -0.04 0.00 0.70 0.00 0.00 55.95 59.10 2cr3 s SER 12 Cb -0.36 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.43 2cr3 s SER 12 CO 0.37 -0.32 0.21 -0.36 1.20 0.00 0.00 173.24 174.34 2cr3 s PHE 13 N -2.13 0.93 -0.25 3.44 0.40 0.45 -4.84 117.98 115.98 2cr3 s PHE 13 Ca 0.60 -1.20 -0.17 0.00 -0.60 0.00 0.00 56.93 55.55 2cr3 s PHE 13 Cb -0.09 -0.37 0.07 0.00 0.51 0.00 0.00 43.02 43.14 2cr3 s PHE 13 CO 0.15 -0.72 0.64 -1.17 0.70 0.00 0.00 175.22 174.82 2cr3 s LEU 14 N -3.11 -0.70 0.00 -0.37 1.98 -1.26 -3.58 118.68 111.63 2cr3 s LEU 14 Ca 0.34 1.37 -0.05 0.00 -2.89 0.00 0.00 54.13 52.90 2cr3 s LEU 14 Cb 0.05 2.20 0.02 0.00 0.66 0.00 0.00 46.19 49.12 2cr3 s LEU 14 CO 0.10 -0.23 0.35 1.33 -1.89 0.00 0.00 176.35 176.01 2cr3 n VAL 15 N 3.84 0.00 -4.37 1.68 0.24 0.67 -4.93 118.33 115.46 2cr3 n VAL 15 Ca -0.19 -0.65 -0.18 0.00 -2.04 0.00 0.00 64.34 61.28 2cr3 n VAL 15 Cb 0.57 0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 33.36 2cr3 n VAL 15 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2cr3 s HIS 16 N -4.98 1.70 -0.70 6.34 -3.43 -1.25 0.24 115.29 113.20 2cr3 s HIS 16 Ca 0.10 -1.11 -0.26 0.00 -0.80 0.00 0.00 55.06 53.00 2cr3 s HIS 16 Cb -0.02 -1.04 -0.03 0.00 -1.43 0.00 0.00 32.58 30.06 2cr3 s HIS 16 CO 0.08 -0.22 1.89 -1.25 -2.00 0.00 0.00 174.74 173.24 2cr3 s PRO 17 N -3.98 2.60 0.00 -0.38 0.04 -1.26 -2.37 135.00 129.66 2cr3 s PRO 17 Ca 0.37 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2cr3 s PRO 17 Cb 0.08 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2cr3 s PRO 17 CO 0.14 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.65 2cr3 n GLY 18 N 6.07 1.08 1.79 0.56 0.00 0.27 -4.93 105.19 110.03 2cr3 n GLY 18 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 2cr3 n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cr3 n ASP 19 N 0.00 0.16 -4.30 1.61 9.92 -1.00 -3.67 116.55 119.27 2cr3 n ASP 19 Ca 0.00 -1.28 -0.36 0.00 -0.53 0.00 0.00 54.79 52.61 2cr3 n ASP 19 Cb 0.00 -0.44 -0.13 0.00 -0.64 0.00 0.00 41.12 39.91 2cr3 n ASP 19 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2cr3 s LEU 20 N 0.00 3.68 -0.56 0.64 2.96 -1.26 0.19 118.68 124.33 2cr3 s LEU 20 Ca 0.34 -0.78 -0.25 0.00 -0.22 0.00 0.00 54.13 53.23 2cr3 s LEU 20 Cb -0.01 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.90 2cr3 s LEU 20 CO 0.24 -0.18 0.98 -0.22 -1.32 0.00 0.00 176.35 175.85 2cr3 s LEU 21 N 1.44 4.01 -0.08 -0.68 2.96 0.09 -4.88 118.68 121.55 2cr3 s LEU 21 Ca 0.02 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 2cr3 s LEU 21 Cb -0.17 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 2cr3 s LEU 21 CO 0.00 -1.28 -0.04 -1.10 -1.32 0.00 0.00 176.35 172.61 2cr3 s GLN 22 N 4.11 2.92 0.14 1.98 -0.21 -1.26 -0.70 119.66 126.65 2cr3 s GLN 22 Ca 0.32 -0.50 0.02 0.00 0.02 0.00 0.00 55.36 55.22 2cr3 s GLN 22 Cb -0.12 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 2cr3 s GLN 22 CO 0.20 0.63 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.46 2cr3 s LEU 23 N -0.71 2.28 -0.00 2.90 1.43 -0.08 -4.95 118.68 119.54 2cr3 s LEU 23 Ca 0.11 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.11 2cr3 s LEU 23 Cb -0.11 -0.07 -0.00 0.00 0.03 0.00 0.00 46.19 46.03 2cr3 s LEU 23 CO 0.02 -0.52 -0.02 -0.60 0.23 0.00 0.00 176.35 175.46 2cr3 s ARG 24 N -3.88 0.16 -0.17 1.70 3.52 -1.26 -2.21 118.95 116.81 2cr3 s ARG 24 Ca 0.19 -0.09 -0.02 0.00 -0.13 0.00 0.00 55.73 55.68 2cr3 s ARG 24 Cb 0.06 -0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.29 2cr3 s ARG 24 CO 0.01 0.04 -0.09 0.00 -0.81 0.00 0.00 175.30 174.45 2cr3 s ARG 26 N 0.85 3.58 0.41 0.00 0.52 -1.26 -4.92 118.95 118.13 2cr3 s ARG 26 Ca -0.03 1.55 0.07 0.00 -0.52 0.00 0.00 55.73 56.81 2cr3 s ARG 26 Cb -0.15 -4.11 0.01 0.00 0.52 0.00 0.00 34.95 31.21 2cr3 s ARG 26 CO 0.01 -1.56 0.56 -0.51 0.02 0.00 0.00 175.30 173.82 2cr3 s LEU 27 N 5.97 3.71 0.00 2.53 1.43 -1.26 -4.97 118.68 126.10 2cr3 s LEU 27 Ca 0.75 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2cr3 s LEU 27 Cb -0.24 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.27 2cr3 s LEU 27 CO 0.32 -0.70 0.00 0.54 0.23 0.00 0.00 176.35 176.74 2cr3 n ARG 28 N -1.84 1.39 0.06 1.70 1.74 -1.26 -5.03 116.66 113.42 2cr3 n ARG 28 Ca 0.06 -1.82 0.12 0.00 -0.77 0.00 0.00 57.85 55.44 2cr3 n ARG 28 Cb 0.59 0.48 0.26 0.00 -1.02 0.00 0.00 32.46 32.77 2cr3 n ARG 28 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2cr3 n ASP 29 N -1.17 0.64 -0.03 0.55 2.03 -1.26 -3.87 116.55 113.44 2cr3 n ASP 29 Ca -0.10 0.18 0.01 0.00 0.52 0.00 0.00 54.79 55.40 2cr3 n ASP 29 Cb 0.32 -0.06 -0.11 0.00 -0.72 0.00 0.00 41.12 40.54 2cr3 n ASP 29 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2cr3 n ASP 30 N -2.00 1.60 -3.56 1.67 8.00 -1.26 -5.02 116.55 115.98 2cr3 n ASP 30 Ca 0.04 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.15 2cr3 n ASP 30 Cb 0.41 1.29 -0.03 0.00 -0.02 0.00 0.00 41.12 42.78 2cr3 n ASP 30 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2cr3 n VAL 31 N -2.24 1.43 -0.04 2.53 0.31 -1.25 -4.49 118.33 114.58 2cr3 n VAL 31 Ca -0.12 -0.36 -0.05 0.00 -0.01 0.00 0.00 64.34 63.80 2cr3 n VAL 31 Cb 0.65 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.54 2cr3 n VAL 31 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cr3 n GLN 32 N 0.85 0.19 -4.16 5.55 6.02 0.17 -4.94 117.38 121.05 2cr3 n GLN 32 Ca 0.15 0.05 -0.16 0.00 -0.01 0.00 0.00 57.00 57.03 2cr3 n GLN 32 Cb 0.19 -1.14 -0.06 0.00 1.02 0.00 0.00 30.24 30.24 2cr3 n GLN 32 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2cr3 s SER 33 N -4.78 0.99 0.01 1.08 1.04 -1.20 -4.99 113.70 105.85 2cr3 s SER 33 Ca -0.10 -1.53 0.01 0.00 0.48 0.00 0.00 55.95 54.81 2cr3 s SER 33 Cb 0.03 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 2cr3 s SER 33 CO 0.18 -1.14 -0.03 -0.63 0.98 0.00 0.00 173.24 172.59 2cr3 s ILE 34 N -3.41 0.21 -0.25 -1.02 1.01 -1.26 -2.18 121.20 114.30 2cr3 s ILE 34 Ca 0.35 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2cr3 s ILE 34 Cb 0.02 -0.23 0.07 0.00 0.01 0.00 0.00 42.46 42.32 2cr3 s ILE 34 CO 0.21 -0.10 -0.05 0.21 0.00 0.00 0.00 174.94 175.21 2cr3 s ASN 35 N -0.49 4.06 -0.02 3.58 2.47 0.34 -4.92 114.94 119.97 2cr3 s ASN 35 Ca -0.03 -1.33 -0.27 0.00 0.42 0.00 0.00 52.86 51.64 2cr3 s ASN 35 Cb -0.04 -1.28 -0.03 0.00 -1.45 0.00 0.00 41.25 38.45 2cr3 s ASN 35 CO -0.00 -0.25 0.86 0.26 -3.72 0.00 0.00 177.10 174.25 2cr3 s TRP 36 N 1.30 3.64 0.27 0.43 0.52 -1.26 -0.08 118.94 123.76 2cr3 s TRP 36 Ca -0.04 1.52 0.05 0.00 0.02 0.00 0.00 56.10 57.64 2cr3 s TRP 36 Cb -0.19 -2.98 -0.06 0.00 -1.15 0.00 0.00 33.47 29.09 2cr3 s TRP 36 CO -0.07 0.05 -0.00 -0.51 0.02 0.00 0.00 176.95 176.44 2cr3 s LEU 37 N 0.84 2.28 -0.25 2.99 1.43 0.42 -0.19 118.68 126.20 2cr3 s LEU 37 Ca 0.46 -1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 2cr3 s LEU 37 Cb -0.20 -0.42 0.13 0.00 0.03 0.00 0.00 46.19 45.74 2cr3 s LEU 37 CO 0.24 -0.49 0.50 -0.60 0.23 0.00 0.00 176.35 176.23 2cr3 s ARG 38 N -3.83 0.44 -1.67 1.70 3.52 0.18 -1.40 118.95 117.89 2cr3 s ARG 38 Ca 0.31 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.91 2cr3 s ARG 38 Cb 0.06 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 2cr3 s ARG 38 CO 0.12 -0.42 0.00 -3.47 -0.81 0.00 0.00 175.30 170.72 2cr3 n ASP 39 N 5.41 -5.12 -0.54 -2.12 -0.08 0.04 -2.69 116.55 111.44 2cr3 n ASP 39 Ca -0.06 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 2cr3 n ASP 39 Cb 0.50 -4.18 0.00 0.00 2.34 0.00 0.00 41.12 39.78 2cr3 n ASP 39 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cr3 n GLY 40 N -0.93 0.79 3.50 0.27 0.00 -1.26 -5.04 105.19 102.52 2cr3 n GLY 40 Ca -0.19 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 2cr3 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr3 s VAL 41 N -2.74 0.00 0.24 1.61 0.11 -1.09 -5.14 120.40 113.39 2cr3 s VAL 41 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 2cr3 s VAL 41 Cb 0.00 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.72 2cr3 s VAL 41 CO 0.00 0.00 1.55 1.67 -3.33 0.00 0.00 175.10 174.99 2cr3 n GLN 42 N 0.52 2.39 -3.26 1.54 -0.06 -1.26 0.48 117.38 117.73 2cr3 n GLN 42 Ca -0.17 0.85 -0.34 0.00 -2.00 0.00 0.00 57.00 55.35 2cr3 n GLN 42 Cb 0.59 -2.60 -0.06 0.00 -4.06 0.00 0.00 30.24 24.11 2cr3 n GLN 42 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2cr3 s LEU 43 N 0.21 4.22 0.12 1.69 2.96 0.73 -4.71 118.68 123.91 2cr3 s LEU 43 Ca 0.70 1.16 0.07 0.00 -0.22 0.00 0.00 54.13 55.83 2cr3 s LEU 43 Cb -0.58 -3.67 -0.04 0.00 0.50 0.00 0.00 46.19 42.40 2cr3 s LEU 43 CO 0.45 -0.05 -0.16 0.00 -1.32 0.00 0.00 176.35 175.27 2cr3 s ALA 44 N -1.72 1.61 0.38 5.97 0.00 -1.26 -4.89 121.76 121.85 2cr3 s ALA 44 Ca 0.46 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2cr3 s ALA 44 Cb -0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 2cr3 s ALA 44 CO 0.19 0.17 0.55 -1.21 0.00 0.00 0.00 175.76 175.46 2cr3 s GLU 45 N -2.52 3.06 0.31 0.00 2.02 -1.26 -4.91 118.70 115.40 2cr3 s GLU 45 Ca 0.09 -0.86 -0.19 0.00 0.02 0.00 0.00 54.97 54.02 2cr3 s GLU 45 Cb -0.06 -2.73 0.04 0.00 0.10 0.00 0.00 34.13 31.48 2cr3 s GLU 45 CO 0.04 -0.09 0.80 0.45 0.02 0.00 0.00 175.26 176.48 2cr3 s SER 46 N -4.21 -0.12 0.42 -0.19 0.15 -0.19 -4.90 113.70 104.67 2cr3 s SER 46 Ca 0.47 -0.83 0.36 0.00 0.70 0.00 0.00 55.95 56.65 2cr3 s SER 46 Cb -0.10 0.74 1.35 0.00 -1.71 0.00 0.00 66.02 66.30 2cr3 s SER 46 CO 0.33 -1.43 1.27 0.59 1.20 0.00 0.00 173.24 175.20 2cr3 n ASN 47 N -0.94 0.05 -0.09 5.45 4.13 -1.26 -1.43 115.26 121.18 2cr3 n ASN 47 Ca -0.06 0.91 -0.11 0.00 1.68 0.00 0.00 54.58 57.00 2cr3 n ASN 47 Cb 0.60 -0.45 -0.04 0.00 -1.54 0.00 0.00 39.78 38.35 2cr3 n ASN 47 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2cr3 n ARG 48 N -3.80 0.51 -1.90 3.52 1.74 -1.26 -4.87 116.66 110.60 2cr3 n ARG 48 Ca 0.35 0.21 -0.41 0.00 -0.77 0.00 0.00 57.85 57.22 2cr3 n ARG 48 Cb 1.53 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 31.55 2cr3 n ARG 48 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2cr3 s THR 49 N -2.83 2.32 -0.18 0.55 2.01 -0.51 -2.34 115.64 114.65 2cr3 s THR 49 Ca -0.29 0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 2cr3 s THR 49 Cb 0.05 -3.18 0.06 0.00 0.01 0.00 0.00 72.50 69.44 2cr3 s THR 49 CO 0.42 0.05 0.08 -0.60 -0.69 0.00 0.00 174.62 173.89 2cr3 s ARG 50 N -0.98 0.16 -0.50 4.92 6.06 0.30 -1.02 118.95 127.88 2cr3 s ARG 50 Ca 0.58 -0.17 -0.15 0.00 -2.50 0.00 0.00 55.73 53.49 2cr3 s ARG 50 Cb -0.45 -1.83 0.10 0.00 0.06 0.00 0.00 34.95 32.83 2cr3 s ARG 50 CO 0.51 -0.69 0.44 0.42 -2.50 0.00 0.00 175.30 173.48 2cr3 s ILE 51 N 2.09 5.18 -1.65 4.11 1.01 -1.26 -0.38 121.20 130.30 2cr3 s ILE 51 Ca 0.02 -1.29 0.07 0.00 0.00 0.00 0.00 60.65 59.45 2cr3 s ILE 51 Cb -0.16 -4.20 0.23 0.00 0.01 0.00 0.00 42.46 38.33 2cr3 s ILE 51 CO -0.11 -0.72 1.10 0.35 0.00 0.00 0.00 174.94 175.57 2cr3 n THR 52 N 5.21 0.48 0.00 2.92 -2.24 -0.44 -4.92 114.28 115.29 2cr3 n THR 52 Ca -0.13 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2cr3 n THR 52 Cb 0.42 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2cr3 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cr3 n GLY 53 N 0.69 2.50 0.02 3.38 0.00 -1.26 -4.56 105.19 105.95 2cr3 n GLY 53 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2cr3 n GLY 53 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr3 n GLU 54 N 0.00 0.65 -3.68 1.61 0.28 -1.26 -4.75 120.64 113.49 2cr3 n GLU 54 Ca 0.00 -0.93 -0.21 0.00 -0.16 0.00 0.00 57.16 55.86 2cr3 n GLU 54 Cb 0.00 -1.01 -0.18 0.00 1.43 0.00 0.00 31.44 31.68 2cr3 n GLU 54 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2cr3 s GLU 55 N -0.42 0.05 0.06 3.44 2.02 -1.26 0.95 118.70 123.54 2cr3 s GLU 55 Ca 0.01 0.28 -0.03 0.00 0.02 0.00 0.00 54.97 55.25 2cr3 s GLU 55 Cb 0.00 -0.73 -0.05 0.00 0.10 0.00 0.00 34.13 33.46 2cr3 s GLU 55 CO 0.00 -0.36 0.26 0.08 0.02 0.00 0.00 175.26 175.26 2cr3 s VAL 56 N 2.13 5.32 -0.23 2.63 1.01 -0.94 -1.33 120.40 129.00 2cr3 s VAL 56 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2cr3 s VAL 56 Cb -0.12 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.77 2cr3 s VAL 56 CO -0.04 0.18 0.30 -0.70 0.00 0.00 0.00 175.10 174.84 2cr3 s GLU 57 N -2.34 0.27 -0.31 2.72 2.12 0.49 -0.91 118.70 120.75 2cr3 s GLU 57 Ca 0.34 0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.97 2cr3 s GLU 57 Cb -0.13 -0.83 0.04 0.00 0.26 0.00 0.00 34.13 33.47 2cr3 s GLU 57 CO 0.24 -0.68 0.03 0.08 -0.54 0.00 0.00 175.26 174.38 2cr3 s VAL 58 N 2.43 3.25 0.39 3.70 1.01 0.12 0.11 120.40 131.41 2cr3 s VAL 58 Ca 0.10 -1.25 -0.25 0.00 0.00 0.00 0.00 61.98 60.58 2cr3 s VAL 58 Cb -0.15 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 2cr3 s VAL 58 CO -0.16 -0.09 1.06 -1.10 0.00 0.00 0.00 175.10 174.81 2cr3 s GLN 59 N 1.31 4.20 -1.48 2.72 -0.21 -0.99 -0.73 119.66 124.49 2cr3 s GLN 59 Ca -0.03 1.55 -0.11 0.00 0.02 0.00 0.00 55.36 56.78 2cr3 s GLN 59 Cb -0.19 -2.61 0.07 0.00 1.00 0.00 0.00 33.01 31.27 2cr3 s GLN 59 CO -0.00 -0.12 0.98 -3.47 -2.12 0.00 0.00 175.29 170.57 2cr3 n ASP 60 N 0.06 -4.61 -4.01 5.90 -0.08 0.18 -4.76 116.55 109.24 2cr3 n ASP 60 Ca 0.04 -0.75 -0.37 0.00 -1.51 0.00 0.00 54.79 52.21 2cr3 n ASP 60 Cb 0.49 -4.08 0.04 0.00 2.34 0.00 0.00 41.12 39.91 2cr3 n ASP 60 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2cr3 n SER 61 N -2.89 -5.38 -3.96 1.67 3.41 0.13 -3.83 113.62 102.78 2cr3 n SER 61 Ca -0.00 0.14 -0.08 0.00 -0.26 0.00 0.00 58.87 58.66 2cr3 n SER 61 Cb 0.55 -0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 63.71 2cr3 n SER 61 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2cr3 s VAL 62 N -2.00 0.15 -2.00 -3.33 -7.23 -1.26 -0.57 120.40 104.15 2cr3 s VAL 62 Ca 0.39 -1.43 0.11 0.00 -1.81 0.00 0.00 61.98 59.24 2cr3 s VAL 62 Cb -0.12 -1.52 0.31 0.00 0.56 0.00 0.00 36.38 35.61 2cr3 s VAL 62 CO 0.79 -0.67 1.08 -0.81 -0.31 0.00 0.00 175.10 175.18 2cr3 n PRO 63 N -0.04 0.49 -0.01 4.82 -0.04 -1.23 -1.97 135.00 137.03 2cr3 n PRO 63 Ca -0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 2cr3 n PRO 63 Cb 0.62 -1.34 -0.13 0.00 -0.04 0.00 0.00 33.50 32.61 2cr3 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cr3 n ALA 64 N -0.84 2.88 0.06 0.55 0.00 -1.26 -4.38 120.51 117.52 2cr3 n ALA 64 Ca 0.08 -0.43 0.05 0.00 0.00 0.00 0.00 53.44 53.14 2cr3 n ALA 64 Cb 0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 2cr3 n ALA 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2cr3 n ASP 65 N -2.01 0.84 -3.91 0.00 8.00 -0.83 -4.95 116.55 113.69 2cr3 n ASP 65 Ca -0.02 0.35 -0.25 0.00 0.71 0.00 0.00 54.79 55.57 2cr3 n ASP 65 Cb 0.43 0.32 0.12 0.00 -0.02 0.00 0.00 41.12 41.98 2cr3 n ASP 65 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2cr3 n SER 66 N -2.79 -2.72 0.00 -2.24 7.64 -1.20 -4.93 113.62 107.38 2cr3 n SER 66 Ca -0.06 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.62 2cr3 n SER 66 Cb 0.71 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2cr3 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr3 n GLY 67 N 2.55 0.54 3.07 0.23 0.00 -1.21 -5.02 105.19 105.36 2cr3 n GLY 67 Ca 0.02 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 2cr3 n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cr3 s LEU 68 N 0.00 5.00 0.32 0.99 2.96 -1.26 -1.85 118.68 124.84 2cr3 s LEU 68 Ca 0.00 -2.11 -0.24 0.00 -0.22 0.00 0.00 54.13 51.56 2cr3 s LEU 68 Cb 0.00 -1.73 -0.10 0.00 0.50 0.00 0.00 46.19 44.87 2cr3 s LEU 68 CO 0.00 -0.46 0.90 -0.31 -1.32 0.00 0.00 176.35 175.16 2cr3 s TYR 69 N 1.00 3.61 -0.12 5.38 1.51 -0.69 -0.78 117.35 127.26 2cr3 s TYR 69 Ca 0.10 1.67 -0.04 0.00 -1.01 0.00 0.00 57.07 57.79 2cr3 s TYR 69 Cb -0.21 -2.85 0.06 0.00 -0.11 0.00 0.00 41.96 38.86 2cr3 s TYR 69 CO -0.06 0.17 0.17 0.00 -1.11 0.00 0.00 175.55 174.72 2cr3 s ALA 70 N -1.71 -0.14 -0.21 3.71 0.00 -0.49 -0.16 121.76 122.76 2cr3 s ALA 70 Ca 0.51 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 2cr3 s ALA 70 Cb -0.16 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 2cr3 s ALA 70 CO 0.21 -0.77 0.25 0.00 0.00 0.00 0.00 175.76 175.45 2cr3 s VAL 72 N 0.90 2.83 -0.19 0.00 1.01 0.88 -1.34 120.40 124.49 2cr3 s VAL 72 Ca 0.13 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2cr3 s VAL 72 Cb -0.13 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2cr3 s VAL 72 CO 0.04 0.44 0.08 0.42 0.00 0.00 0.00 175.10 176.08 2cr3 s THR 73 N 1.39 4.96 -0.28 3.92 -4.23 -1.09 0.13 115.64 120.43 2cr3 s THR 73 Ca 0.05 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.41 2cr3 s THR 73 Cb -0.14 -3.25 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 2cr3 s THR 73 CO -0.07 0.45 0.49 -0.44 -0.54 0.00 0.00 174.62 174.51 2cr3 s SER 74 N 0.41 6.38 0.14 3.99 0.01 -0.93 -2.87 113.70 120.82 2cr3 s SER 74 Ca 0.05 0.36 0.08 0.00 1.31 0.00 0.00 55.95 57.74 2cr3 s SER 74 Cb -0.12 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 2cr3 s SER 74 CO -0.00 -0.32 -0.17 -0.94 0.41 0.00 0.00 173.24 172.22 2cr3 s SER 75 N 1.61 2.44 0.00 2.44 1.04 -0.43 -0.66 113.70 120.15 2cr3 s SER 75 Ca 0.20 -0.81 0.12 0.00 0.48 0.00 0.00 55.95 55.93 2cr3 s SER 75 Cb -0.16 -0.13 0.72 0.00 0.10 0.00 0.00 66.02 66.56 2cr3 s SER 75 CO 0.10 -0.05 1.15 -0.81 0.98 0.00 0.00 173.24 174.61 2cr3 n PRO 76 N 0.52 0.49 0.00 4.02 -0.04 -1.26 -1.82 135.00 136.90 2cr3 n PRO 76 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2cr3 n PRO 76 Cb 0.56 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2cr3 n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr3 n SER 77 N -0.89 0.53 0.00 3.54 2.88 -1.26 -5.12 113.62 113.30 2cr3 n SER 77 Ca 0.09 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 2cr3 n SER 77 Cb 0.04 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2cr3 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr3 n GLY 78 N 0.41 -0.20 3.46 0.46 0.00 -0.76 -5.12 105.19 103.43 2cr3 n GLY 78 Ca 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 2cr3 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr3 s SER 79 N -4.00 -0.72 0.44 1.61 1.04 -1.26 -1.32 113.70 109.49 2cr3 s SER 79 Ca 0.00 1.23 0.08 0.00 0.48 0.00 0.00 55.95 57.74 2cr3 s SER 79 Cb 0.00 1.34 0.01 0.00 0.10 0.00 0.00 66.02 67.47 2cr3 s SER 79 CO 0.00 -0.22 0.54 -0.62 0.98 0.00 0.00 173.24 173.92 2cr3 s ASP 80 N 1.96 5.45 -0.15 7.02 2.15 -1.14 -4.96 116.67 127.00 2cr3 s ASP 80 Ca -0.08 -0.55 -0.11 0.00 0.43 0.00 0.00 52.55 52.25 2cr3 s ASP 80 Cb -0.09 -0.53 0.05 0.00 -0.30 0.00 0.00 42.92 42.05 2cr3 s ASP 80 CO -0.16 -0.80 0.39 -0.89 -0.17 0.00 0.00 175.17 173.54 2cr3 s THR 81 N -2.42 -0.02 -0.13 1.71 2.01 -1.26 -2.69 115.64 112.85 2cr3 s THR 81 Ca 0.54 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.59 2cr3 s THR 81 Cb -0.08 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.89 2cr3 s THR 81 CO 0.32 0.02 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.28 2cr3 s THR 82 N 0.89 1.28 0.51 -0.82 2.01 -0.45 -4.83 115.64 114.23 2cr3 s THR 82 Ca -0.06 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.47 2cr3 s THR 82 Cb -0.06 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.20 2cr3 s THR 82 CO -0.07 0.41 0.78 -0.31 -0.69 0.00 0.00 174.62 174.74 2cr3 s TYR 83 N 1.61 3.25 -0.28 4.92 1.51 -1.17 -0.89 117.35 126.28 2cr3 s TYR 83 Ca 0.05 0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 56.55 2cr3 s TYR 83 Cb -0.13 -2.51 0.17 0.00 -0.11 0.00 0.00 41.96 39.39 2cr3 s TYR 83 CO -0.09 -0.57 0.52 -0.06 -1.11 0.00 0.00 175.55 174.23 2cr3 s PHE 84 N -2.76 -1.37 -0.59 2.71 0.40 0.78 -2.56 117.98 114.59 2cr3 s PHE 84 Ca 0.51 1.22 -0.26 0.00 -0.60 0.00 0.00 56.93 57.80 2cr3 s PHE 84 Cb -0.10 0.30 0.04 0.00 0.51 0.00 0.00 43.02 43.76 2cr3 s PHE 84 CO 0.41 -0.88 1.06 0.45 0.70 0.00 0.00 175.22 176.97 2cr3 s SER 85 N 2.73 6.35 0.08 1.36 0.15 0.22 -1.70 113.70 122.90 2cr3 s SER 85 Ca 0.16 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.57 2cr3 s SER 85 Cb -0.14 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 2cr3 s SER 85 CO -0.21 -1.39 0.19 -0.69 1.20 0.00 0.00 173.24 172.33 2cr3 s VAL 86 N 4.48 5.16 -0.26 4.45 1.01 -0.77 0.17 120.40 134.64 2cr3 s VAL 86 Ca 0.35 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2cr3 s VAL 86 Cb -0.11 -3.54 0.13 0.00 0.00 0.00 0.00 36.38 32.87 2cr3 s VAL 86 CO 0.20 0.09 0.33 0.21 0.00 0.00 0.00 175.10 175.93 2cr3 s ASN 87 N -2.63 0.90 -0.30 3.32 2.47 -1.24 -3.31 114.94 114.16 2cr3 s ASN 87 Ca 0.34 -0.27 -0.11 0.00 0.42 0.00 0.00 52.86 53.24 2cr3 s ASN 87 Cb -0.12 0.80 -0.03 0.00 -1.45 0.00 0.00 41.25 40.45 2cr3 s ASN 87 CO 0.27 -0.34 0.19 -0.69 -3.72 0.00 0.00 177.10 172.80 2cr3 s VAL 88 N 2.45 5.14 -0.26 -5.21 1.01 -1.26 -0.23 120.40 122.05 2cr3 s VAL 88 Ca 0.10 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 2cr3 s VAL 88 Cb -0.14 -3.52 0.08 0.00 0.00 0.00 0.00 36.38 32.80 2cr3 s VAL 88 CO -0.23 0.17 0.77 -0.55 0.00 0.00 0.00 175.10 175.25 2cr3 s SER 89 N 1.72 -0.70 0.47 3.32 0.15 0.14 -3.49 113.70 115.32 2cr3 s SER 89 Ca 0.06 1.31 0.25 0.00 0.70 0.00 0.00 55.95 58.28 2cr3 s SER 89 Cb -0.16 1.32 1.38 0.00 -1.71 0.00 0.00 66.02 66.85 2cr3 s SER 89 CO 0.10 -0.25 1.75 -0.78 1.20 0.00 0.00 173.24 175.25 2cr3 h ASP 90 N 4.75 0.00 -3.25 5.45 3.58 -1.91 -3.34 116.42 121.70 2cr3 h ASP 90 Ca -0.29 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.61 2cr3 h ASP 90 Cb 1.16 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.14 2cr3 h ASP 90 CO 0.08 0.00 0.99 0.00 -2.88 0.00 0.00 179.24 177.43 2cr3 s ALA 91 N -3.73 3.01 0.06 -0.78 0.00 -1.26 -4.99 121.76 114.06 2cr3 s ALA 91 Ca -0.03 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2cr3 s ALA 91 Cb 0.07 -4.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 2cr3 s ALA 91 CO 0.23 -2.61 -0.15 -0.51 0.00 0.00 0.00 175.76 172.73 2cr3 s LEU 92 N 5.01 2.23 -0.79 0.00 1.43 -1.26 -4.98 118.68 120.33 2cr3 s LEU 92 Ca 0.46 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 52.76 2cr3 s LEU 92 Cb -0.08 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2cr3 s LEU 92 CO 0.27 -0.01 1.92 -2.16 0.23 0.00 0.00 176.35 176.59 2cr3 s PRO 93 N -1.45 2.58 0.00 1.29 0.04 -1.26 -4.90 135.00 131.30 2cr3 s PRO 93 Ca 0.00 0.07 -0.24 0.00 0.04 0.00 0.00 61.00 60.88 2cr3 s PRO 93 Cb -0.09 -4.79 0.05 0.00 0.04 0.00 0.00 34.50 29.71 2cr3 s PRO 93 CO 0.02 -3.12 0.54 -1.12 0.04 0.00 0.00 177.00 173.35 2cr3 s SER 94 N 8.08 -0.47 -0.41 6.66 0.01 -1.26 -5.12 113.70 121.19 2cr3 s SER 94 Ca 0.69 0.35 -0.01 0.00 1.31 0.00 0.00 55.95 58.29 2cr3 s SER 94 Cb -0.09 0.48 0.21 0.00 0.21 0.00 0.00 66.02 66.83 2cr3 s SER 94 CO 0.08 -0.63 0.98 0.61 0.41 0.00 0.00 173.24 174.69 2cr3 n GLY 95 N 0.74 -1.22 0.21 3.44 0.00 -1.26 -5.02 105.19 102.08 2cr3 n GLY 95 Ca -0.19 0.91 -0.06 0.00 0.00 0.00 0.00 46.02 46.68 2cr3 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr3 h PRO 96 N 4.33 0.46 -5.95 1.61 0.13 -2.03 -3.44 132.00 127.11 2cr3 h PRO 96 Ca -0.02 -0.24 -0.60 0.00 -0.87 0.00 0.00 66.00 64.27 2cr3 h PRO 96 Cb 1.14 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2cr3 h PRO 96 CO -0.05 0.81 -0.49 0.45 -0.23 0.00 0.00 178.00 178.49 2cr3 s SER 97 N -6.87 6.34 -0.07 1.44 0.15 -1.26 -5.11 113.70 108.32 2cr3 s SER 97 Ca -0.06 0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.83 2cr3 s SER 97 Cb 0.12 -1.94 0.02 0.00 -1.71 0.00 0.00 66.02 62.51 2cr3 s SER 97 CO 0.81 0.14 -0.08 -0.55 1.20 0.00 0.00 173.24 174.76 2cr3 s SER 98 N -2.71 1.65 0.00 5.45 0.15 -1.26 -5.22 113.70 111.76 2cr3 s SER 98 Ca 0.35 -0.24 0.18 0.00 0.70 0.00 0.00 55.95 56.94 2cr3 s SER 98 Cb -0.12 -0.70 1.07 0.00 -1.71 0.00 0.00 66.02 64.56 2cr3 s SER 98 CO 0.28 -0.05 1.47 0.61 1.20 0.00 0.00 173.24 176.76