#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 6.51 -0.02 1.61 0.01 -1.26 -5.07 113.70 115.49 2cr3 s SER 2 Ca 0.00 1.90 0.01 0.00 1.31 0.00 0.00 55.95 59.17 2cr3 s SER 2 Cb 0.00 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2cr3 s SER 2 CO 0.00 -0.66 -0.02 -0.44 0.41 0.00 0.00 173.24 172.53 2cr3 s SER 3 N -1.95 0.47 -0.81 2.44 0.01 -1.26 -5.10 113.70 107.50 2cr3 s SER 3 Ca 0.65 -0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.82 2cr3 s SER 3 Cb -0.16 -0.18 0.20 0.00 0.21 0.00 0.00 66.02 66.10 2cr3 s SER 3 CO 0.20 -0.04 0.69 -0.83 0.41 0.00 0.00 173.24 173.67 2cr3 s GLY 4 N 0.58 2.87 -0.04 3.44 0.00 -1.26 -5.06 107.32 107.85 2cr3 s GLY 4 Ca -0.06 -3.61 -0.18 0.00 0.00 0.00 0.00 44.72 40.87 2cr3 s GLY 4 CO -0.01 1.18 0.50 -0.56 0.00 0.00 0.00 173.10 174.21 2cr3 s SER 5 N 0.39 6.83 0.03 1.64 0.01 -1.26 -5.08 113.70 116.26 2cr3 s SER 5 Ca 0.23 0.99 0.02 0.00 1.31 0.00 0.00 55.95 58.50 2cr3 s SER 5 Cb -0.12 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 2cr3 s SER 5 CO -0.09 0.14 -0.07 -0.94 0.41 0.00 0.00 173.24 172.70 2cr3 s SER 6 N -0.21 0.72 0.00 2.44 1.04 -1.26 -4.93 113.70 111.50 2cr3 s SER 6 Ca 0.27 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2cr3 s SER 6 Cb -0.17 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2cr3 s SER 6 CO 0.14 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2cr3 n GLY 7 N 1.93 0.65 3.23 7.32 0.00 -1.26 -5.13 105.19 111.93 2cr3 n GLY 7 Ca -0.20 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.70 0.16 -0.31 1.61 1.01 -1.26 -5.13 120.40 114.78 2cr3 s VAL 8 Ca 0.00 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 59.77 2cr3 s VAL 8 Cb 0.00 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 2cr3 s VAL 8 CO 0.00 -0.02 0.70 -1.83 0.00 0.00 0.00 175.10 173.95 2cr3 s GLU 9 N -4.12 3.91 -0.56 2.72 -1.05 -1.26 -5.01 118.70 113.32 2cr3 s GLU 9 Ca 0.38 0.40 -0.02 0.00 -0.15 0.00 0.00 54.97 55.58 2cr3 s GLU 9 Cb 0.07 -3.73 0.14 0.00 -0.44 0.00 0.00 34.13 30.17 2cr3 s GLU 9 CO 0.12 -0.63 0.36 0.08 0.95 0.00 0.00 175.26 176.14 2cr3 s VAL 10 N 2.76 3.42 -0.14 1.83 1.01 -1.26 -3.48 120.40 124.54 2cr3 s VAL 10 Ca 0.28 -2.82 -0.29 0.00 0.00 0.00 0.00 61.98 59.15 2cr3 s VAL 10 Cb -0.15 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 2cr3 s VAL 10 CO 0.12 -0.82 2.14 1.21 0.00 0.00 0.00 175.10 177.75 2cr3 n GLU 11 N 3.67 2.20 -3.01 2.72 2.13 -0.92 -4.60 120.64 122.83 2cr3 n GLU 11 Ca 0.05 0.69 -0.35 0.00 0.66 0.00 0.00 57.16 58.21 2cr3 n GLU 11 Cb 0.38 -3.12 -0.06 0.00 0.27 0.00 0.00 31.44 28.90 2cr3 n GLU 11 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2cr3 s SER 12 N 7.02 7.04 0.16 4.31 0.15 -1.26 0.70 113.70 131.81 2cr3 s SER 12 Ca 0.98 1.50 -0.02 0.00 0.70 0.00 0.00 55.95 59.11 2cr3 s SER 12 Cb -0.40 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.42 2cr3 s SER 12 CO 0.38 -0.08 0.11 -0.36 1.20 0.00 0.00 173.24 174.49 2cr3 s PHE 13 N -1.71 0.94 -0.23 3.44 0.40 0.36 -4.86 117.98 116.31 2cr3 s PHE 13 Ca 0.49 -1.26 -0.12 0.00 -0.60 0.00 0.00 56.93 55.44 2cr3 s PHE 13 Cb -0.15 -0.47 0.08 0.00 0.51 0.00 0.00 43.02 42.99 2cr3 s PHE 13 CO 0.20 -0.59 0.56 -1.17 0.70 0.00 0.00 175.22 174.92 2cr3 s LEU 14 N -3.09 -0.63 0.00 -0.37 1.98 -1.26 -3.55 118.68 111.75 2cr3 s LEU 14 Ca 0.29 1.25 -0.01 0.00 -2.89 0.00 0.00 54.13 52.77 2cr3 s LEU 14 Cb 0.07 1.91 0.01 0.00 0.66 0.00 0.00 46.19 48.83 2cr3 s LEU 14 CO 0.06 -0.22 0.26 1.33 -1.89 0.00 0.00 176.35 175.89 2cr3 n VAL 15 N 4.51 0.00 -4.36 1.68 0.24 0.49 -4.96 118.33 115.94 2cr3 n VAL 15 Ca -0.19 -0.90 -0.18 0.00 -2.04 0.00 0.00 64.34 61.02 2cr3 n VAL 15 Cb 0.56 0.57 -0.10 0.00 -1.47 0.00 0.00 33.84 33.39 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 -4.02 1.69 -0.70 6.34 -3.43 -1.25 0.23 115.29 114.16 2cr3 s HIS 16 Ca 0.15 -1.09 -0.26 0.00 -0.80 0.00 0.00 55.06 53.05 2cr3 s HIS 16 Cb -0.01 -1.04 -0.03 0.00 -1.43 0.00 0.00 32.58 30.08 2cr3 s HIS 16 CO 0.11 -0.21 1.89 -1.25 -2.00 0.00 0.00 174.74 173.28 2cr3 s PRO 17 N -3.98 2.60 0.00 -0.38 0.04 -1.26 -2.33 135.00 129.70 2cr3 s PRO 17 Ca 0.37 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.76 2cr3 s PRO 17 Cb 0.08 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2cr3 s PRO 17 CO 0.14 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.67 2cr3 n GLY 18 N 6.04 0.93 1.66 0.56 0.00 -0.17 -4.92 105.19 109.28 2cr3 n GLY 18 Ca 0.26 0.00 -0.12 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 0.21 -4.22 1.61 9.92 -0.98 -3.90 116.55 119.18 2cr3 n ASP 19 Ca 0.00 -1.29 -0.37 0.00 -0.53 0.00 0.00 54.79 52.60 2cr3 n ASP 19 Cb 0.00 -0.39 -0.12 0.00 -0.64 0.00 0.00 41.12 39.97 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 4.45 -0.54 0.64 2.96 -1.26 -0.92 118.68 124.02 2cr3 s LEU 20 Ca 0.31 -1.37 -0.28 0.00 -0.22 0.00 0.00 54.13 52.57 2cr3 s LEU 20 Cb -0.01 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.88 2cr3 s LEU 20 CO 0.22 -0.37 1.15 -0.22 -1.32 0.00 0.00 176.35 175.80 2cr3 s LEU 21 N 1.32 3.57 -0.12 -0.68 2.96 -0.58 -4.88 118.68 120.28 2cr3 s LEU 21 Ca -0.01 0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2cr3 s LEU 21 Cb -0.21 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.19 2cr3 s LEU 21 CO 0.00 -1.37 -0.12 -1.10 -1.32 0.00 0.00 176.35 172.44 2cr3 s GLN 22 N 4.68 3.29 0.34 1.98 -0.21 -1.26 -0.78 119.66 127.70 2cr3 s GLN 22 Ca 0.44 -0.66 0.05 0.00 0.02 0.00 0.00 55.36 55.20 2cr3 s GLN 22 Cb -0.08 -2.63 -0.07 0.00 1.00 0.00 0.00 33.01 31.24 2cr3 s GLN 22 CO 0.27 0.28 0.03 -0.51 -2.12 0.00 0.00 175.29 173.25 2cr3 s LEU 23 N 0.18 2.40 -0.07 2.90 1.43 0.07 -4.96 118.68 120.63 2cr3 s LEU 23 Ca -0.07 -1.35 -0.09 0.00 -1.03 0.00 0.00 54.13 51.59 2cr3 s LEU 23 Cb -0.15 -0.55 0.02 0.00 0.03 0.00 0.00 46.19 45.54 2cr3 s LEU 23 CO 0.05 -0.53 0.25 -0.60 0.23 0.00 0.00 176.35 175.74 2cr3 s ARG 24 N -3.82 0.37 -0.25 1.70 3.52 -1.26 -2.56 118.95 116.65 2cr3 s ARG 24 Ca 0.35 0.19 -0.02 0.00 -0.13 0.00 0.00 55.73 56.13 2cr3 s ARG 24 Cb 0.08 0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.67 2cr3 s ARG 24 CO 0.16 -0.06 -0.06 0.00 -0.81 0.00 0.00 175.30 174.52 2cr3 n ARG 26 N 4.67 1.76 -2.96 0.00 1.74 -1.26 -4.91 116.66 115.70 2cr3 n ARG 26 Ca -0.17 0.50 -0.19 0.00 -0.77 0.00 0.00 57.85 57.22 2cr3 n ARG 26 Cb 0.47 -2.99 0.05 0.00 -1.02 0.00 0.00 32.46 28.97 2cr3 n ARG 26 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cr3 s LEU 27 N 7.71 3.29 0.00 0.55 1.43 -1.26 -5.00 118.68 125.40 2cr3 s LEU 27 Ca 1.03 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 2cr3 s LEU 27 Cb -0.50 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 2cr3 s LEU 27 CO 0.40 -1.19 0.13 0.54 0.23 0.00 0.00 176.35 176.46 2cr3 n ARG 28 N -2.18 0.61 0.01 1.70 1.74 -1.26 -5.03 116.66 112.25 2cr3 n ARG 28 Ca 0.13 -2.65 0.13 0.00 -0.77 0.00 0.00 57.85 54.69 2cr3 n ARG 28 Cb 0.60 1.54 0.46 0.00 -1.02 0.00 0.00 32.46 34.05 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 -1.70 0.27 -0.07 0.55 -0.08 -1.26 -3.71 116.55 110.55 2cr3 n ASP 29 Ca -0.03 0.26 -0.07 0.00 -1.51 0.00 0.00 54.79 53.44 2cr3 n ASP 29 Cb 0.47 -0.26 -0.12 0.00 2.34 0.00 0.00 41.12 43.55 2cr3 n ASP 29 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2cr3 n ASP 30 N -1.61 1.21 -2.93 1.67 8.00 -1.26 -5.02 116.55 116.61 2cr3 n ASP 30 Ca 0.06 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 2cr3 n ASP 30 Cb 0.35 0.91 -0.02 0.00 -0.02 0.00 0.00 41.12 42.35 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 -2.55 1.31 -0.00 2.53 0.31 -1.24 -4.57 118.33 114.11 2cr3 n VAL 31 Ca -0.24 -0.33 -0.00 0.00 -0.01 0.00 0.00 64.34 63.76 2cr3 n VAL 31 Cb 0.98 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.90 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 0.67 3.56 -3.95 5.55 6.02 -0.23 -4.95 117.38 124.04 2cr3 n GLN 32 Ca 0.12 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.99 2cr3 n GLN 32 Cb 0.16 -1.02 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 2cr3 n GLN 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2cr3 s SER 33 N -3.01 0.50 -0.05 1.08 0.15 -1.20 -4.97 113.70 106.20 2cr3 s SER 33 Ca -0.00 -1.33 -0.04 0.00 0.70 0.00 0.00 55.95 55.27 2cr3 s SER 33 Cb 0.00 0.76 0.01 0.00 -1.71 0.00 0.00 66.02 65.09 2cr3 s SER 33 CO 0.03 -1.50 0.12 -0.63 1.20 0.00 0.00 173.24 172.46 2cr3 s ILE 34 N -2.66 0.00 -0.27 6.45 1.01 -1.26 -2.39 121.20 122.08 2cr3 s ILE 34 Ca 0.23 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.89 2cr3 s ILE 34 Cb -0.03 -0.18 0.07 0.00 0.01 0.00 0.00 42.46 42.33 2cr3 s ILE 34 CO 0.16 -0.00 -0.02 0.21 0.00 0.00 0.00 174.94 175.28 2cr3 s ASN 35 N 0.05 4.17 0.10 3.58 2.47 0.33 -4.93 114.94 120.71 2cr3 s ASN 35 Ca -0.00 -1.48 -0.29 0.00 0.42 0.00 0.00 52.86 51.51 2cr3 s ASN 35 Cb -0.01 -1.31 -0.06 0.00 -1.45 0.00 0.00 41.25 38.43 2cr3 s ASN 35 CO 0.00 -0.28 0.91 0.26 -3.72 0.00 0.00 177.10 174.28 2cr3 s TRP 36 N 1.26 3.80 0.16 0.43 0.52 -1.26 -0.01 118.94 123.83 2cr3 s TRP 36 Ca -0.01 1.72 0.03 0.00 0.02 0.00 0.00 56.10 57.86 2cr3 s TRP 36 Cb -0.19 -3.00 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 2cr3 s TRP 36 CO -0.09 0.23 -0.05 -0.51 0.02 0.00 0.00 176.95 176.56 2cr3 s LEU 37 N -0.04 2.35 -0.23 2.99 1.43 0.44 -0.60 118.68 125.01 2cr3 s LEU 37 Ca 0.45 -1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 2cr3 s LEU 37 Cb -0.23 -0.19 0.12 0.00 0.03 0.00 0.00 46.19 45.92 2cr3 s LEU 37 CO 0.28 -0.46 0.40 -0.60 0.23 0.00 0.00 176.35 176.21 2cr3 s ARG 38 N -3.83 0.35 -1.66 1.70 3.52 0.17 -0.77 118.95 118.43 2cr3 s ARG 38 Ca 0.20 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 2cr3 s ARG 38 Cb 0.05 -0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 2cr3 s ARG 38 CO 0.02 -0.48 0.00 -3.47 -0.81 0.00 0.00 175.30 170.55 2cr3 n ASP 39 N 5.38 -5.14 -0.53 -2.12 -0.08 -0.61 -2.71 116.55 110.73 2cr3 n ASP 39 Ca -0.05 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 2cr3 n ASP 39 Cb 0.50 -4.21 0.00 0.00 2.34 0.00 0.00 41.12 39.75 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 3.53 0.27 0.00 -1.26 -5.06 105.19 102.53 2cr3 n GLY 40 Ca -0.20 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.72 0.00 0.11 1.61 0.11 -1.10 -5.13 120.40 113.29 2cr3 s VAL 41 Ca 0.00 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.73 2cr3 s VAL 41 Cb 0.00 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 2cr3 s VAL 41 CO 0.00 0.00 1.79 1.67 -3.33 0.00 0.00 175.10 175.23 2cr3 n GLN 42 N 1.09 2.62 -2.28 1.54 -0.06 -1.26 0.45 117.38 119.48 2cr3 n GLN 42 Ca -0.18 0.95 -0.33 0.00 -2.00 0.00 0.00 57.00 55.44 2cr3 n GLN 42 Cb 0.57 -2.82 -0.02 0.00 -4.06 0.00 0.00 30.24 23.92 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 2.42 3.62 0.14 1.69 2.96 0.23 -4.78 118.68 124.96 2cr3 s LEU 43 Ca 0.82 1.75 0.04 0.00 -0.22 0.00 0.00 54.13 56.53 2cr3 s LEU 43 Cb -0.54 -4.53 -0.04 0.00 0.50 0.00 0.00 46.19 41.58 2cr3 s LEU 43 CO 0.38 -0.88 -0.10 0.00 -1.32 0.00 0.00 176.35 174.43 2cr3 s ALA 44 N -2.41 1.41 0.28 5.97 0.00 -1.26 -4.91 121.76 120.85 2cr3 s ALA 44 Ca 0.63 -1.44 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2cr3 s ALA 44 Cb -0.14 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2cr3 s ALA 44 CO 0.31 -0.08 0.31 -1.21 0.00 0.00 0.00 175.76 175.09 2cr3 s GLU 45 N -3.58 3.05 0.26 0.00 2.02 -1.26 -4.86 118.70 114.32 2cr3 s GLU 45 Ca 0.15 -1.03 -0.10 0.00 0.02 0.00 0.00 54.97 54.02 2cr3 s GLU 45 Cb 0.02 -2.68 0.04 0.00 0.10 0.00 0.00 34.13 31.61 2cr3 s GLU 45 CO 0.01 0.27 0.51 0.45 0.02 0.00 0.00 175.26 176.52 2cr3 n SER 46 N -1.37 -1.50 -0.37 -0.19 2.88 -0.22 -4.91 113.62 107.94 2cr3 n SER 46 Ca -0.05 -2.03 0.28 0.00 -1.33 0.00 0.00 58.87 55.74 2cr3 n SER 46 Cb 0.58 2.49 0.55 0.00 -0.75 0.00 0.00 64.21 67.08 2cr3 n SER 46 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2cr3 h ASN 47 N 1.28 0.40 0.00 -3.46 2.35 -2.00 -2.63 115.58 111.53 2cr3 h ASN 47 Ca -0.22 0.14 -0.27 0.00 -0.55 0.00 0.00 56.30 55.40 2cr3 h ASN 47 Cb 0.80 0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.23 2cr3 h ASN 47 CO 0.28 -0.09 -1.70 0.54 -1.65 0.00 0.00 177.43 174.80 2cr3 n ARG 48 N -4.80 0.56 -2.19 0.81 1.74 -1.26 -4.85 116.66 106.67 2cr3 n ARG 48 Ca 0.32 0.37 -0.41 0.00 -0.77 0.00 0.00 57.85 57.37 2cr3 n ARG 48 Cb 1.12 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.96 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 -2.51 2.89 -0.16 0.55 2.01 -0.99 -1.54 115.64 115.90 2cr3 s THR 49 Ca -0.32 0.89 -0.04 0.00 0.31 0.00 0.00 61.69 62.53 2cr3 s THR 49 Cb 0.09 -3.57 0.07 0.00 0.01 0.00 0.00 72.50 69.11 2cr3 s THR 49 CO 0.48 0.21 0.20 -0.60 -0.69 0.00 0.00 174.62 174.21 2cr3 s ARG 50 N -1.65 0.13 -0.37 4.92 6.06 0.54 -1.06 118.95 127.52 2cr3 s ARG 50 Ca 0.48 0.32 -0.10 0.00 -2.50 0.00 0.00 55.73 53.93 2cr3 s ARG 50 Cb -0.38 -0.92 0.03 0.00 0.06 0.00 0.00 34.95 33.74 2cr3 s ARG 50 CO 0.50 -0.53 0.19 0.42 -2.50 0.00 0.00 175.30 173.38 2cr3 s ILE 51 N 2.31 4.42 -2.15 4.11 1.01 -1.26 0.03 121.20 129.67 2cr3 s ILE 51 Ca 0.05 -0.92 0.17 0.00 0.00 0.00 0.00 60.65 59.95 2cr3 s ILE 51 Cb -0.14 -3.48 0.41 0.00 0.01 0.00 0.00 42.46 39.25 2cr3 s ILE 51 CO -0.10 -0.23 1.41 0.35 0.00 0.00 0.00 174.94 176.37 2cr3 n THR 52 N 4.96 0.41 0.00 2.92 -2.24 -0.47 -4.94 114.28 114.93 2cr3 n THR 52 Ca -0.12 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2cr3 n THR 52 Cb 0.46 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.17 2.99 0.00 3.38 0.00 -1.26 -4.65 105.19 106.83 2cr3 n GLY 53 Ca 0.15 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 1.28 -3.89 1.61 0.28 -1.26 -4.73 120.64 113.93 2cr3 n GLU 54 Ca 0.00 -0.31 -0.22 0.00 -0.16 0.00 0.00 57.16 56.47 2cr3 n GLU 54 Cb 0.00 -0.79 -0.17 0.00 1.43 0.00 0.00 31.44 31.91 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 -0.27 0.77 0.02 3.44 2.02 -1.26 0.11 118.70 123.52 2cr3 s GLU 55 Ca 0.00 0.01 -0.00 0.00 0.02 0.00 0.00 54.97 55.00 2cr3 s GLU 55 Cb 0.00 -1.00 -0.04 0.00 0.10 0.00 0.00 34.13 33.19 2cr3 s GLU 55 CO 0.00 -0.24 0.13 0.08 0.02 0.00 0.00 175.26 175.25 2cr3 s VAL 56 N 1.65 4.97 -0.11 2.63 1.01 -1.06 -1.36 120.40 128.12 2cr3 s VAL 56 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2cr3 s VAL 56 Cb -0.13 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 32.98 2cr3 s VAL 56 CO -0.04 0.27 0.19 -0.70 0.00 0.00 0.00 175.10 174.82 2cr3 s GLU 57 N -2.02 0.08 -0.27 2.72 2.12 0.10 -0.75 118.70 120.68 2cr3 s GLU 57 Ca 0.27 0.55 0.03 0.00 0.36 0.00 0.00 54.97 56.18 2cr3 s GLU 57 Cb -0.12 -0.36 0.07 0.00 0.26 0.00 0.00 34.13 33.97 2cr3 s GLU 57 CO 0.19 -0.35 -0.08 0.08 -0.54 0.00 0.00 175.26 174.55 2cr3 s VAL 58 N 2.33 2.18 0.35 3.70 1.01 0.04 0.20 120.40 130.20 2cr3 s VAL 58 Ca 0.03 -1.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.00 2cr3 s VAL 58 Cb -0.13 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 2cr3 s VAL 58 CO -0.07 -0.12 1.13 -1.10 0.00 0.00 0.00 175.10 174.94 2cr3 s GLN 59 N 1.07 4.31 -1.43 2.72 -0.21 -0.59 -1.52 119.66 124.01 2cr3 s GLN 59 Ca -0.06 1.79 -0.07 0.00 0.02 0.00 0.00 55.36 57.04 2cr3 s GLN 59 Cb -0.20 -2.86 0.04 0.00 1.00 0.00 0.00 33.01 30.99 2cr3 s GLN 59 CO -0.06 -0.08 0.84 -3.47 -2.12 0.00 0.00 175.29 170.40 2cr3 n ASP 60 N 0.50 -3.06 -4.06 5.90 -0.08 -0.24 -4.73 116.55 110.78 2cr3 n ASP 60 Ca 0.02 -0.80 -0.37 0.00 -1.51 0.00 0.00 54.79 52.13 2cr3 n ASP 60 Cb 0.46 -3.94 0.05 0.00 2.34 0.00 0.00 41.12 40.04 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 -2.94 -4.15 -3.94 1.67 3.41 -0.09 -3.93 113.62 103.64 2cr3 n SER 61 Ca -0.12 0.09 -0.09 0.00 -0.26 0.00 0.00 58.87 58.49 2cr3 n SER 61 Cb 0.60 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.05 0.14 -2.00 -3.33 -7.23 -1.26 -1.00 120.40 103.67 2cr3 s VAL 62 Ca 0.41 -1.38 0.11 0.00 -1.81 0.00 0.00 61.98 59.31 2cr3 s VAL 62 Cb -0.05 -1.49 0.31 0.00 0.56 0.00 0.00 36.38 35.70 2cr3 s VAL 62 CO 0.73 -0.65 1.09 -0.81 -0.31 0.00 0.00 175.10 175.15 2cr3 n PRO 63 N -0.05 0.49 -0.01 4.82 -0.04 -1.23 -1.94 135.00 137.03 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 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.85 3.04 0.08 0.55 0.00 -1.26 -4.36 120.51 117.70 2cr3 n ALA 64 Ca 0.08 -0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.16 2cr3 n ALA 64 Cb 0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.94 0.86 -3.86 0.00 8.00 -0.82 -4.95 116.55 113.85 2cr3 n ASP 65 Ca -0.02 0.35 -0.24 0.00 0.71 0.00 0.00 54.79 55.59 2cr3 n ASP 65 Cb 0.41 0.33 0.13 0.00 -0.02 0.00 0.00 41.12 41.97 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 -2.76 -2.76 0.00 -2.24 7.64 -1.21 -4.93 113.62 107.35 2cr3 n SER 66 Ca -0.04 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2cr3 n SER 66 Cb 0.66 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 2.48 0.48 2.97 0.23 0.00 -1.19 -5.02 105.19 105.14 2cr3 n GLY 67 Ca 0.03 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 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 4.39 0.29 0.99 2.96 -1.26 -1.49 118.68 124.56 2cr3 s LEU 68 Ca 0.00 -2.39 -0.28 0.00 -0.22 0.00 0.00 54.13 51.24 2cr3 s LEU 68 Cb 0.00 -1.56 -0.09 0.00 0.50 0.00 0.00 46.19 45.04 2cr3 s LEU 68 CO 0.00 -0.34 1.01 -0.31 -1.32 0.00 0.00 176.35 175.39 2cr3 s TYR 69 N 0.59 3.71 -0.11 5.38 1.51 -0.57 -1.57 117.35 126.29 2cr3 s TYR 69 Ca 0.13 1.79 -0.03 0.00 -1.01 0.00 0.00 57.07 57.94 2cr3 s TYR 69 Cb -0.21 -3.08 0.04 0.00 -0.11 0.00 0.00 41.96 38.60 2cr3 s TYR 69 CO -0.07 -0.05 0.07 0.00 -1.11 0.00 0.00 175.55 174.40 2cr3 s ALA 70 N -1.32 0.37 -0.19 3.71 0.00 0.05 0.55 121.76 124.94 2cr3 s ALA 70 Ca 0.46 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 2cr3 s ALA 70 Cb -0.26 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 2cr3 s ALA 70 CO 0.33 -0.82 0.29 0.00 0.00 0.00 0.00 175.76 175.56 2cr3 s VAL 72 N 0.86 2.50 -0.08 0.00 1.01 0.98 -1.06 120.40 124.60 2cr3 s VAL 72 Ca 0.15 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2cr3 s VAL 72 Cb -0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2cr3 s VAL 72 CO 0.05 0.35 0.20 0.42 0.00 0.00 0.00 175.10 176.12 2cr3 s THR 73 N 1.30 5.40 -0.40 3.92 -4.23 -1.11 0.12 115.64 120.64 2cr3 s THR 73 Ca 0.02 0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.71 2cr3 s THR 73 Cb -0.15 -3.48 0.04 0.00 1.34 0.00 0.00 72.50 70.25 2cr3 s THR 73 CO -0.08 0.58 0.27 -0.55 -0.54 0.00 0.00 174.62 174.30 2cr3 s SER 74 N -1.13 5.92 0.12 3.99 0.15 -1.01 -2.77 113.70 118.98 2cr3 s SER 74 Ca 0.18 -1.05 0.07 0.00 0.70 0.00 0.00 55.95 55.85 2cr3 s SER 74 Cb -0.13 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2cr3 s SER 74 CO 0.07 -0.46 -0.18 -0.94 1.20 0.00 0.00 173.24 172.94 2cr3 s SER 75 N 1.78 2.32 0.00 5.45 1.04 -1.26 -1.07 113.70 121.96 2cr3 s SER 75 Ca 0.03 -0.75 0.13 0.00 0.48 0.00 0.00 55.95 55.84 2cr3 s SER 75 Cb -0.20 -0.11 0.78 0.00 0.10 0.00 0.00 66.02 66.58 2cr3 s SER 75 CO 0.08 -0.03 1.20 -0.81 0.98 0.00 0.00 173.24 174.65 2cr3 n PRO 76 N 0.77 0.49 -0.00 4.02 -0.04 -1.26 -1.85 135.00 137.12 2cr3 n PRO 76 Ca -0.17 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.31 2cr3 n PRO 76 Cb 0.55 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2cr3 n PRO 76 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cr3 n SER 77 N -0.92 0.47 0.00 3.54 7.64 -1.26 -5.07 113.62 118.02 2cr3 n SER 77 Ca 0.10 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.39 2cr3 n SER 77 Cb 0.04 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 2cr3 n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr3 n GLY 78 N 1.19 4.17 3.67 0.23 0.00 -0.77 -5.09 105.19 108.59 2cr3 n GLY 78 Ca 0.01 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 7.06 0.73 1.61 1.04 -1.26 -4.24 113.70 118.63 2cr3 s SER 79 Ca 0.00 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2cr3 s SER 79 Cb 0.00 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.71 2cr3 s SER 79 CO 0.00 -0.66 1.00 -0.62 0.98 0.00 0.00 173.24 173.94 2cr3 s ASP 80 N 1.49 4.30 -0.17 7.02 -1.08 -1.11 -4.90 116.67 122.22 2cr3 s ASP 80 Ca 0.50 -0.48 -0.11 0.00 -0.52 0.00 0.00 52.55 51.94 2cr3 s ASP 80 Cb -0.19 0.15 0.05 0.00 -1.46 0.00 0.00 42.92 41.47 2cr3 s ASP 80 CO 0.13 -1.90 0.42 -0.89 0.52 0.00 0.00 175.17 173.45 2cr3 s THR 81 N -3.14 -0.02 -0.14 1.71 2.01 -1.26 -2.77 115.64 112.04 2cr3 s THR 81 Ca 0.67 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.73 2cr3 s THR 81 Cb -0.05 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.87 2cr3 s THR 81 CO 0.44 0.03 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.40 2cr3 s THR 82 N 1.05 1.33 0.36 -0.82 2.01 -0.22 -4.92 115.64 114.43 2cr3 s THR 82 Ca -0.07 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 2cr3 s THR 82 Cb -0.07 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2cr3 s THR 82 CO -0.09 0.38 0.62 -0.31 -0.69 0.00 0.00 174.62 174.53 2cr3 s TYR 83 N 1.58 3.51 -0.24 4.92 1.51 -1.23 -0.76 117.35 126.64 2cr3 s TYR 83 Ca 0.04 0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 56.68 2cr3 s TYR 83 Cb -0.13 -2.10 0.12 0.00 -0.11 0.00 0.00 41.96 39.74 2cr3 s TYR 83 CO -0.09 0.03 0.33 -0.06 -1.11 0.00 0.00 175.55 174.65 2cr3 s PHE 84 N -2.34 -0.66 -0.57 2.71 0.40 0.19 -2.16 117.98 115.55 2cr3 s PHE 84 Ca 0.44 0.58 -0.27 0.00 -0.60 0.00 0.00 56.93 57.08 2cr3 s PHE 84 Cb -0.10 -0.12 0.03 0.00 0.51 0.00 0.00 43.02 43.34 2cr3 s PHE 84 CO 0.36 -0.71 1.12 0.45 0.70 0.00 0.00 175.22 177.14 2cr3 s SER 85 N 2.48 6.43 0.10 1.36 0.15 0.22 -1.51 113.70 122.92 2cr3 s SER 85 Ca 0.11 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.79 2cr3 s SER 85 Cb -0.15 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 2cr3 s SER 85 CO -0.16 -1.40 0.18 -0.69 1.20 0.00 0.00 173.24 172.37 2cr3 s VAL 86 N 4.66 5.05 -0.27 4.45 1.01 -0.55 0.13 120.40 134.88 2cr3 s VAL 86 Ca 0.40 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2cr3 s VAL 86 Cb -0.09 -3.50 0.14 0.00 0.00 0.00 0.00 36.38 32.94 2cr3 s VAL 86 CO 0.24 0.06 0.38 0.21 0.00 0.00 0.00 175.10 175.99 2cr3 s ASN 87 N -2.70 0.44 -0.28 3.32 2.47 -1.23 -3.18 114.94 113.78 2cr3 s ASN 87 Ca 0.33 -0.11 -0.11 0.00 0.42 0.00 0.00 52.86 53.38 2cr3 s ASN 87 Cb -0.12 1.05 -0.05 0.00 -1.45 0.00 0.00 41.25 40.68 2cr3 s ASN 87 CO 0.26 -0.33 0.19 -0.69 -3.72 0.00 0.00 177.10 172.81 2cr3 s VAL 88 N 2.53 5.30 -0.20 -5.21 1.01 -1.26 -0.38 120.40 122.20 2cr3 s VAL 88 Ca 0.11 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 2cr3 s VAL 88 Cb -0.14 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.78 2cr3 s VAL 88 CO -0.23 0.23 0.78 -0.55 0.00 0.00 0.00 175.10 175.32 2cr3 s SER 89 N 1.76 -0.65 0.00 3.32 0.15 0.14 -3.58 113.70 114.83 2cr3 s SER 89 Ca 0.07 1.07 0.01 0.00 0.70 0.00 0.00 55.95 57.79 2cr3 s SER 89 Cb -0.16 1.02 0.02 0.00 -1.71 0.00 0.00 66.02 65.19 2cr3 s SER 89 CO 0.11 -0.35 1.01 -0.67 1.20 0.00 0.00 173.24 174.55 2cr3 n ASP 90 N 1.95 0.00 -4.59 5.45 -0.08 -1.26 -3.74 116.55 114.26 2cr3 n ASP 90 Ca -0.15 0.50 -0.43 0.00 -1.51 0.00 0.00 54.79 53.20 2cr3 n ASP 90 Cb 0.56 -0.50 -0.04 0.00 2.34 0.00 0.00 41.12 43.48 2cr3 n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2cr3 s ALA 91 N -2.99 3.37 0.01 -1.67 0.00 -1.26 -5.00 121.76 114.22 2cr3 s ALA 91 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2cr3 s ALA 91 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2cr3 s ALA 91 CO 0.01 -1.70 -0.05 -0.51 0.00 0.00 0.00 175.76 173.51 2cr3 s LEU 92 N 3.52 2.10 -0.43 0.00 1.43 -1.26 -4.94 118.68 119.10 2cr3 s LEU 92 Ca 0.38 -0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.95 2cr3 s LEU 92 Cb -0.12 -0.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 2cr3 s LEU 92 CO 0.20 -0.05 1.75 -2.16 0.23 0.00 0.00 176.35 176.32 2cr3 s PRO 93 N -0.65 3.15 0.16 1.29 0.04 -1.26 -4.99 135.00 132.74 2cr3 s PRO 93 Ca -0.03 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 2cr3 s PRO 93 Cb -0.05 -4.23 -0.07 0.00 0.04 0.00 0.00 34.50 30.20 2cr3 s PRO 93 CO -0.00 -2.08 0.50 0.45 0.04 0.00 0.00 177.00 175.91 2cr3 s SER 94 N 6.35 6.69 0.00 6.66 0.15 -1.26 -4.81 113.70 127.48 2cr3 s SER 94 Ca 0.72 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2cr3 s SER 94 Cb -0.18 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2cr3 s SER 94 CO 0.29 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2cr3 n GLY 95 N 0.48 -0.92 0.00 9.45 0.00 -1.26 -4.91 105.19 108.03 2cr3 n GLY 95 Ca -0.04 0.34 0.07 0.00 0.00 0.00 0.00 46.02 46.40 2cr3 n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr3 n PRO 96 N 0.00 0.30 -3.84 1.61 -0.04 -1.26 -4.73 135.00 127.04 2cr3 n PRO 96 Ca 0.00 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 2cr3 n PRO 96 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2cr3 n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr3 s SER 97 N -2.39 0.01 0.04 3.54 0.15 -1.26 -5.12 113.70 108.68 2cr3 s SER 97 Ca 0.17 -0.31 -0.34 0.00 0.70 0.00 0.00 55.95 56.17 2cr3 s SER 97 Cb 0.10 0.28 -0.12 0.00 -1.71 0.00 0.00 66.02 64.57 2cr3 s SER 97 CO 0.21 -0.53 1.76 -1.54 1.20 0.00 0.00 173.24 174.35 2cr3 n SER 98 N 0.82 3.41 0.00 5.45 3.41 -1.26 -4.75 113.62 120.70 2cr3 n SER 98 Ca -0.20 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 2cr3 n SER 98 Cb 0.58 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2cr3 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49