#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 1.65 -0.02 1.61 0.15 -1.26 -5.14 113.70 110.70 2cr3 s SER 2 Ca 0.00 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.41 2cr3 s SER 2 Cb 0.00 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2cr3 s SER 2 CO 0.00 0.13 -0.07 -0.55 1.20 0.00 0.00 173.24 173.95 2cr3 s SER 3 N -0.03 0.88 0.00 5.45 0.15 -1.26 -4.98 113.70 113.91 2cr3 s SER 3 Ca -0.00 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2cr3 s SER 3 Cb -0.08 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2cr3 s SER 3 CO 0.01 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2cr3 n GLY 4 N 3.21 -1.76 3.34 9.45 0.00 -1.26 -5.15 105.19 113.03 2cr3 n GLY 4 Ca -0.17 0.60 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 2cr3 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cr3 n SER 5 N 0.00 -2.31 -2.40 1.61 3.41 -1.26 -4.96 113.62 107.72 2cr3 n SER 5 Ca 0.00 0.13 -0.17 0.00 -0.26 0.00 0.00 58.87 58.58 2cr3 n SER 5 Cb 0.00 -1.09 0.02 0.00 -0.26 0.00 0.00 64.21 62.89 2cr3 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cr3 n SER 6 N -1.32 3.59 -1.87 4.04 3.41 -1.26 -5.06 113.62 115.15 2cr3 n SER 6 Ca 0.04 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 2cr3 n SER 6 Cb 0.57 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2cr3 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr3 n GLY 7 N -0.56 -5.14 3.47 5.00 0.00 -1.26 -5.09 105.19 101.61 2cr3 n GLY 7 Ca 0.29 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2cr3 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cr3 s VAL 8 N -0.44 0.03 -0.53 1.61 -7.23 -1.26 -5.10 120.40 107.48 2cr3 s VAL 8 Ca 0.00 -1.27 -0.27 0.00 -1.81 0.00 0.00 61.98 58.63 2cr3 s VAL 8 Cb 0.00 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 2cr3 s VAL 8 CO 0.00 -0.14 1.74 -1.83 -0.31 0.00 0.00 175.10 174.56 2cr3 s GLU 9 N -3.97 2.96 -0.52 4.82 -1.05 -1.26 -4.94 118.70 114.74 2cr3 s GLU 9 Ca 0.18 0.78 -0.08 0.00 -0.15 0.00 0.00 54.97 55.70 2cr3 s GLU 9 Cb 0.01 -4.28 0.13 0.00 -0.44 0.00 0.00 34.13 29.56 2cr3 s GLU 9 CO 0.03 -2.32 0.38 0.08 0.95 0.00 0.00 175.26 174.37 2cr3 s VAL 10 N 7.82 4.11 -0.18 1.83 1.01 -1.26 -3.81 120.40 129.91 2cr3 s VAL 10 Ca 0.67 -2.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 2cr3 s VAL 10 Cb -0.15 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2cr3 s VAL 10 CO 0.25 -0.80 1.95 -0.70 0.00 0.00 0.00 175.10 175.79 2cr3 s GLU 11 N 0.98 3.54 0.37 2.72 2.12 -1.01 -4.67 118.70 122.75 2cr3 s GLU 11 Ca 0.09 1.96 -0.16 0.00 0.36 0.00 0.00 54.97 57.22 2cr3 s GLU 11 Cb -0.23 -4.22 -0.09 0.00 0.26 0.00 0.00 34.13 29.85 2cr3 s GLU 11 CO -0.02 -1.63 0.81 0.45 -0.54 0.00 0.00 175.26 174.33 2cr3 s SER 12 N 6.13 6.78 0.17 -1.70 0.15 -1.26 0.69 113.70 124.66 2cr3 s SER 12 Ca 0.87 1.39 -0.05 0.00 0.70 0.00 0.00 55.95 58.86 2cr3 s SER 12 Cb -0.31 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 2cr3 s SER 12 CO 0.35 -0.29 0.19 -0.36 1.20 0.00 0.00 173.24 174.33 2cr3 s PHE 13 N -2.12 0.74 -0.24 3.44 0.40 0.49 -4.84 117.98 115.84 2cr3 s PHE 13 Ca 0.56 -1.07 -0.12 0.00 -0.60 0.00 0.00 56.93 55.70 2cr3 s PHE 13 Cb -0.10 -0.30 0.08 0.00 0.51 0.00 0.00 43.02 43.22 2cr3 s PHE 13 CO 0.19 -0.66 0.57 -1.17 0.70 0.00 0.00 175.22 174.85 2cr3 s LEU 14 N -3.05 -0.70 0.00 -0.37 1.98 -1.26 -3.50 118.68 111.78 2cr3 s LEU 14 Ca 0.26 1.29 -0.01 0.00 -2.89 0.00 0.00 54.13 52.77 2cr3 s LEU 14 Cb 0.05 1.96 0.01 0.00 0.66 0.00 0.00 46.19 48.86 2cr3 s LEU 14 CO 0.05 -0.22 0.26 1.33 -1.89 0.00 0.00 176.35 175.88 2cr3 n VAL 15 N 4.61 0.00 -4.39 1.68 0.24 0.46 -4.95 118.33 115.98 2cr3 n VAL 15 Ca -0.18 -0.91 -0.19 0.00 -2.04 0.00 0.00 64.34 61.01 2cr3 n VAL 15 Cb 0.55 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 -3.99 1.78 -0.85 6.34 -3.43 -1.25 0.22 115.29 114.11 2cr3 s HIS 16 Ca 0.15 -1.03 -0.25 0.00 -0.80 0.00 0.00 55.06 53.13 2cr3 s HIS 16 Cb -0.01 -1.11 -0.04 0.00 -1.43 0.00 0.00 32.58 29.99 2cr3 s HIS 16 CO 0.11 -0.12 1.94 -1.25 -2.00 0.00 0.00 174.74 173.41 2cr3 s PRO 17 N -3.94 2.56 0.00 -0.38 0.04 -1.26 -2.25 135.00 129.78 2cr3 s PRO 17 Ca 0.36 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2cr3 s PRO 17 Cb 0.08 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.67 2cr3 s PRO 17 CO 0.14 -3.28 0.00 0.41 0.04 0.00 0.00 177.00 174.32 2cr3 n GLY 18 N 6.66 0.21 2.19 0.56 0.00 0.15 -4.93 105.19 110.03 2cr3 n GLY 18 Ca 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 0.48 -4.27 1.61 9.92 -0.95 -4.06 116.55 119.28 2cr3 n ASP 19 Ca 0.00 -1.49 -0.38 0.00 -0.53 0.00 0.00 54.79 52.38 2cr3 n ASP 19 Cb 0.00 -0.45 -0.12 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 4.52 -0.53 0.64 2.96 -1.26 -0.72 118.68 124.29 2cr3 s LEU 20 Ca 0.40 -1.24 -0.29 0.00 -0.22 0.00 0.00 54.13 52.78 2cr3 s LEU 20 Cb -0.02 -1.89 0.03 0.00 0.50 0.00 0.00 46.19 44.81 2cr3 s LEU 20 CO 0.27 -0.37 1.17 -0.22 -1.32 0.00 0.00 176.35 175.87 2cr3 s LEU 21 N 1.40 3.54 -0.12 -0.68 2.96 0.02 -4.88 118.68 120.93 2cr3 s LEU 21 Ca -0.00 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2cr3 s LEU 21 Cb -0.20 -3.36 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 2cr3 s LEU 21 CO 0.03 -1.37 -0.15 -1.10 -1.32 0.00 0.00 176.35 172.44 2cr3 s GLN 22 N 4.70 3.22 0.40 1.98 -0.21 -1.26 -0.72 119.66 127.78 2cr3 s GLN 22 Ca 0.46 -0.72 0.04 0.00 0.02 0.00 0.00 55.36 55.16 2cr3 s GLN 22 Cb -0.07 -2.55 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 2cr3 s GLN 22 CO 0.29 0.26 0.07 -0.51 -2.12 0.00 0.00 175.29 173.28 2cr3 s LEU 23 N 0.21 2.19 -0.11 2.90 1.43 0.20 -4.96 118.68 120.55 2cr3 s LEU 23 Ca -0.09 -1.55 -0.14 0.00 -1.03 0.00 0.00 54.13 51.32 2cr3 s LEU 23 Cb -0.16 -0.39 0.03 0.00 0.03 0.00 0.00 46.19 45.71 2cr3 s LEU 23 CO 0.05 -0.77 0.37 -0.60 0.23 0.00 0.00 176.35 175.64 2cr3 s ARG 24 N -3.80 0.52 -0.15 1.70 3.52 -1.26 -3.07 118.95 116.41 2cr3 s ARG 24 Ca 0.25 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 2cr3 s ARG 24 Cb 0.05 0.25 -0.00 0.00 -1.56 0.00 0.00 34.95 33.69 2cr3 s ARG 24 CO 0.13 -0.10 -0.15 0.00 -0.81 0.00 0.00 175.30 174.37 2cr3 s ARG 26 N 0.78 3.80 0.58 0.00 0.52 -1.26 -4.91 118.95 118.46 2cr3 s ARG 26 Ca -0.06 1.48 0.08 0.00 -0.52 0.00 0.00 55.73 56.72 2cr3 s ARG 26 Cb -0.15 -4.00 0.08 0.00 0.52 0.00 0.00 34.95 31.40 2cr3 s ARG 26 CO 0.00 -1.29 0.68 -0.51 0.02 0.00 0.00 175.30 174.21 2cr3 s LEU 27 N 5.04 2.88 0.00 2.53 1.43 -1.26 -4.97 118.68 124.33 2cr3 s LEU 27 Ca 0.67 -1.05 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2cr3 s LEU 27 Cb -0.22 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2cr3 s LEU 27 CO 0.28 -1.34 0.13 0.54 0.23 0.00 0.00 176.35 176.19 2cr3 n ARG 28 N -2.13 0.61 0.00 1.70 1.74 -1.26 -5.02 116.66 112.30 2cr3 n ARG 28 Ca 0.10 -2.95 0.14 0.00 -0.77 0.00 0.00 57.85 54.37 2cr3 n ARG 28 Cb 0.63 1.65 0.64 0.00 -1.02 0.00 0.00 32.46 34.36 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 -1.62 0.19 -0.05 0.55 -0.08 -1.26 -3.65 116.55 110.62 2cr3 n ASP 29 Ca -0.04 -0.13 -0.06 0.00 -1.51 0.00 0.00 54.79 53.05 2cr3 n ASP 29 Cb 0.52 -0.22 -0.08 0.00 2.34 0.00 0.00 41.12 43.68 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 -1.26 2.42 -2.98 1.67 8.00 -1.26 -5.03 116.55 118.11 2cr3 n ASP 30 Ca 0.12 -0.01 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 2cr3 n ASP 30 Cb 0.28 0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 42.01 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 -2.46 1.09 -0.05 2.53 0.31 -1.24 -4.54 118.33 113.97 2cr3 n VAL 31 Ca -0.18 -0.27 -0.07 0.00 -0.01 0.00 0.00 64.34 63.81 2cr3 n VAL 31 Cb 0.84 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.72 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 0.74 0.28 -4.18 5.55 6.02 -0.74 -4.93 117.38 120.12 2cr3 n GLN 32 Ca 0.12 0.06 -0.17 0.00 -0.01 0.00 0.00 57.00 57.00 2cr3 n GLN 32 Cb 0.15 -1.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 2cr3 n GLN 32 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2cr3 s SER 33 N -4.96 1.22 0.02 1.08 0.01 -1.21 -4.99 113.70 104.87 2cr3 s SER 33 Ca -0.13 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 55.53 2cr3 s SER 33 Cb 0.03 0.61 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 2cr3 s SER 33 CO 0.23 -1.18 -0.03 -0.63 0.41 0.00 0.00 173.24 172.04 2cr3 s ILE 34 N -3.26 0.18 -0.23 1.44 1.01 -1.26 -2.29 121.20 116.78 2cr3 s ILE 34 Ca 0.35 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 2cr3 s ILE 34 Cb 0.01 -0.26 0.06 0.00 0.01 0.00 0.00 42.46 42.28 2cr3 s ILE 34 CO 0.23 -0.31 -0.01 0.21 0.00 0.00 0.00 174.94 175.06 2cr3 s ASN 35 N -1.02 3.60 0.02 3.58 2.47 0.46 -4.93 114.94 119.12 2cr3 s ASN 35 Ca -0.10 -1.14 -0.26 0.00 0.42 0.00 0.00 52.86 51.78 2cr3 s ASN 35 Cb -0.07 -0.98 -0.05 0.00 -1.45 0.00 0.00 41.25 38.70 2cr3 s ASN 35 CO -0.00 -0.28 0.81 0.26 -3.72 0.00 0.00 177.10 174.16 2cr3 s TRP 36 N 1.54 3.69 0.17 0.43 0.52 -1.26 -0.02 118.94 124.01 2cr3 s TRP 36 Ca -0.02 1.49 0.04 0.00 0.02 0.00 0.00 56.10 57.62 2cr3 s TRP 36 Cb -0.18 -2.89 -0.05 0.00 -1.15 0.00 0.00 33.47 29.20 2cr3 s TRP 36 CO -0.08 0.17 -0.06 -0.51 0.02 0.00 0.00 176.95 176.49 2cr3 s LEU 37 N 0.34 2.39 -0.20 2.99 1.43 0.20 -0.31 118.68 125.52 2cr3 s LEU 37 Ca 0.41 -1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.37 2cr3 s LEU 37 Cb -0.20 -0.27 0.10 0.00 0.03 0.00 0.00 46.19 45.85 2cr3 s LEU 37 CO 0.23 -0.42 0.39 -0.60 0.23 0.00 0.00 176.35 176.18 2cr3 s ARG 38 N -3.81 0.30 -1.81 1.70 3.52 0.14 -1.03 118.95 117.98 2cr3 s ARG 38 Ca 0.20 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 2cr3 s ARG 38 Cb 0.04 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2cr3 s ARG 38 CO 0.03 -0.36 0.00 -0.25 -0.81 0.00 0.00 175.30 173.91 2cr3 n ASP 39 N 5.38 -5.43 -0.75 -2.12 8.00 -0.60 -2.70 116.55 118.32 2cr3 n ASP 39 Ca -0.07 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2cr3 n ASP 39 Cb 0.50 -4.53 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 2cr3 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cr3 n GLY 40 N -0.85 0.58 3.58 0.44 0.00 -1.26 -5.05 105.19 102.62 2cr3 n GLY 40 Ca -0.21 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.76 0.00 0.18 1.61 0.11 -1.10 -5.14 120.40 113.31 2cr3 s VAL 41 Ca 0.00 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 58.72 2cr3 s VAL 41 Cb 0.00 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.71 2cr3 s VAL 41 CO 0.00 0.00 1.42 1.67 -3.33 0.00 0.00 175.10 174.86 2cr3 n GLN 42 N 1.13 1.81 -3.05 1.54 -0.06 -1.26 0.29 117.38 117.78 2cr3 n GLN 42 Ca -0.13 0.65 -0.34 0.00 -2.00 0.00 0.00 57.00 55.19 2cr3 n GLN 42 Cb 0.57 -2.32 -0.06 0.00 -4.06 0.00 0.00 30.24 24.37 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 0.50 4.11 0.09 1.69 2.96 0.57 -4.71 118.68 123.88 2cr3 s LEU 43 Ca 0.75 1.42 0.07 0.00 -0.22 0.00 0.00 54.13 56.15 2cr3 s LEU 43 Cb -0.73 -4.07 -0.03 0.00 0.50 0.00 0.00 46.19 41.85 2cr3 s LEU 43 CO 0.46 -0.18 -0.18 0.00 -1.32 0.00 0.00 176.35 175.12 2cr3 s ALA 44 N -1.91 1.53 0.29 5.97 0.00 -1.26 -4.91 121.76 121.47 2cr3 s ALA 44 Ca 0.53 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2cr3 s ALA 44 Cb -0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2cr3 s ALA 44 CO 0.18 0.28 0.42 -1.21 0.00 0.00 0.00 175.76 175.42 2cr3 s GLU 45 N -1.80 3.31 0.34 0.00 2.02 -1.26 -4.88 118.70 116.43 2cr3 s GLU 45 Ca 0.03 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 2cr3 s GLU 45 Cb -0.10 -2.85 0.06 0.00 0.10 0.00 0.00 34.13 31.35 2cr3 s GLU 45 CO 0.03 0.26 0.83 -1.13 0.02 0.00 0.00 175.26 175.27 2cr3 n SER 46 N -1.53 -2.15 -0.57 -0.19 3.41 0.71 -4.91 113.62 108.39 2cr3 n SER 46 Ca -0.05 -2.42 0.46 0.00 -0.26 0.00 0.00 58.87 56.59 2cr3 n SER 46 Cb 0.57 3.57 0.73 0.00 -0.26 0.00 0.00 64.21 68.83 2cr3 n SER 46 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2cr3 n ASN 47 N -1.48 0.12 -0.08 4.04 3.02 -1.26 -2.05 115.26 117.58 2cr3 n ASN 47 Ca -0.07 1.22 -0.08 0.00 -0.03 0.00 0.00 54.58 55.62 2cr3 n ASN 47 Cb 0.58 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 2cr3 n ASN 47 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2cr3 n ARG 48 N -4.38 0.48 -2.10 3.52 1.74 -1.26 -4.83 116.66 109.82 2cr3 n ARG 48 Ca 0.42 0.25 -0.41 0.00 -0.77 0.00 0.00 57.85 57.35 2cr3 n ARG 48 Cb 1.75 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 31.75 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 -2.65 2.74 -0.17 0.55 2.01 -0.87 -1.93 115.64 115.32 2cr3 s THR 49 Ca -0.24 0.70 -0.05 0.00 0.31 0.00 0.00 61.69 62.41 2cr3 s THR 49 Cb 0.03 -3.45 0.07 0.00 0.01 0.00 0.00 72.50 69.16 2cr3 s THR 49 CO 0.36 0.15 0.12 -0.60 -0.69 0.00 0.00 174.62 173.96 2cr3 s ARG 50 N -1.29 0.08 -0.53 4.92 6.06 0.64 -0.21 118.95 128.62 2cr3 s ARG 50 Ca 0.52 0.04 -0.17 0.00 -2.50 0.00 0.00 55.73 53.62 2cr3 s ARG 50 Cb -0.40 -1.55 0.10 0.00 0.06 0.00 0.00 34.95 33.16 2cr3 s ARG 50 CO 0.49 -0.63 0.52 0.42 -2.50 0.00 0.00 175.30 173.60 2cr3 s ILE 51 N 2.19 5.12 -1.24 4.11 1.01 -1.26 0.18 121.20 131.31 2cr3 s ILE 51 Ca 0.03 -1.21 0.05 0.00 0.00 0.00 0.00 60.65 59.52 2cr3 s ILE 51 Cb -0.16 -4.31 0.21 0.00 0.01 0.00 0.00 42.46 38.21 2cr3 s ILE 51 CO -0.09 -0.83 0.95 0.35 0.00 0.00 0.00 174.94 175.32 2cr3 n THR 52 N 5.32 0.57 0.00 2.92 -2.24 -0.12 -4.91 114.28 115.82 2cr3 n THR 52 Ca -0.12 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2cr3 n THR 52 Cb 0.42 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.41 2.41 0.09 3.38 0.00 -1.26 -4.46 105.19 105.75 2cr3 n GLY 53 Ca 0.07 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.68 -3.77 1.61 0.28 -1.26 -4.75 120.64 112.07 2cr3 n GLU 54 Ca 0.00 -0.64 -0.23 0.00 -0.16 0.00 0.00 57.16 56.14 2cr3 n GLU 54 Cb 0.00 -1.04 -0.18 0.00 1.43 0.00 0.00 31.44 31.65 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 -0.19 0.57 -0.11 3.44 2.02 -1.26 0.12 118.70 123.28 2cr3 s GLU 55 Ca 0.03 0.12 -0.08 0.00 0.02 0.00 0.00 54.97 55.06 2cr3 s GLU 55 Cb 0.02 -0.94 -0.04 0.00 0.10 0.00 0.00 34.13 33.26 2cr3 s GLU 55 CO 0.03 -0.30 0.18 0.08 0.02 0.00 0.00 175.26 175.26 2cr3 s VAL 56 N 1.97 5.44 -0.10 2.63 1.01 -1.17 -0.95 120.40 129.22 2cr3 s VAL 56 Ca 0.05 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 2cr3 s VAL 56 Cb -0.12 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.85 2cr3 s VAL 56 CO -0.05 0.59 0.04 -0.70 0.00 0.00 0.00 175.10 174.98 2cr3 s GLU 57 N -0.87 0.32 -0.21 2.72 2.12 0.13 -0.63 118.70 122.28 2cr3 s GLU 57 Ca 0.15 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.55 2cr3 s GLU 57 Cb -0.13 -1.22 0.04 0.00 0.26 0.00 0.00 34.13 33.08 2cr3 s GLU 57 CO 0.05 -0.44 -0.15 0.08 -0.54 0.00 0.00 175.26 174.25 2cr3 s VAL 58 N 2.04 2.01 0.39 3.70 1.01 0.10 0.23 120.40 129.88 2cr3 s VAL 58 Ca 0.03 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 2cr3 s VAL 58 Cb -0.14 -1.95 -0.10 0.00 0.00 0.00 0.00 36.38 34.18 2cr3 s VAL 58 CO -0.06 0.29 0.94 -1.10 0.00 0.00 0.00 175.10 175.17 2cr3 s GLN 59 N 1.25 4.35 -1.48 2.72 -0.21 -0.81 -0.80 119.66 124.68 2cr3 s GLN 59 Ca -0.01 1.18 -0.11 0.00 0.02 0.00 0.00 55.36 56.44 2cr3 s GLN 59 Cb -0.16 -2.42 0.07 0.00 1.00 0.00 0.00 33.01 31.50 2cr3 s GLN 59 CO -0.10 0.09 0.82 -3.47 -2.12 0.00 0.00 175.29 170.52 2cr3 n ASP 60 N -0.18 -4.81 -3.62 5.90 2.03 -0.56 -4.75 116.55 110.55 2cr3 n ASP 60 Ca 0.05 -0.61 -0.33 0.00 0.52 0.00 0.00 54.79 54.42 2cr3 n ASP 60 Cb 0.53 -3.87 0.03 0.00 -0.72 0.00 0.00 41.12 37.09 2cr3 n ASP 60 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2cr3 n SER 61 N -2.66 -4.90 -4.08 1.67 3.41 0.10 -3.89 113.62 103.27 2cr3 n SER 61 Ca 0.01 0.26 -0.08 0.00 -0.26 0.00 0.00 58.87 58.80 2cr3 n SER 61 Cb 0.54 -0.70 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.78 0.16 -2.00 -3.33 -7.23 -1.26 -0.67 120.40 104.28 2cr3 s VAL 62 Ca 0.39 -1.77 0.10 0.00 -1.81 0.00 0.00 61.98 58.90 2cr3 s VAL 62 Cb -0.23 -1.71 0.29 0.00 0.56 0.00 0.00 36.38 35.29 2cr3 s VAL 62 CO 0.70 -0.74 1.05 -0.81 -0.31 0.00 0.00 175.10 174.99 2cr3 n PRO 63 N 0.01 0.49 -0.05 4.82 -0.04 -1.23 -2.15 135.00 136.84 2cr3 n PRO 63 Ca -0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.35 2cr3 n PRO 63 Cb 0.62 -1.32 -0.14 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 -0.82 2.06 0.12 0.55 0.00 -1.26 -4.38 120.51 116.78 2cr3 n ALA 64 Ca 0.08 -0.86 0.04 0.00 0.00 0.00 0.00 53.44 52.69 2cr3 n ALA 64 Cb 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 19.45 19.14 2cr3 n ALA 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2cr3 h ASP 65 N 0.00 0.00 -1.95 0.00 3.32 -1.84 -3.47 116.42 112.49 2cr3 h ASP 65 Ca -0.27 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.40 2cr3 h ASP 65 Cb 1.56 0.00 0.20 0.00 0.22 0.00 0.00 39.33 41.32 2cr3 h ASP 65 CO 0.01 0.41 -1.10 -1.54 -1.72 0.00 0.00 179.24 175.31 2cr3 n SER 66 N -3.07 -2.67 0.00 6.45 3.41 -1.20 -4.93 113.62 111.61 2cr3 n SER 66 Ca -0.01 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2cr3 n SER 66 Cb 0.72 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2cr3 n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr3 n GLY 67 N 2.42 0.52 3.10 5.00 0.00 -1.18 -5.00 105.19 110.05 2cr3 n GLY 67 Ca 0.02 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 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 5.16 0.29 0.99 2.96 -1.26 -1.53 118.68 125.29 2cr3 s LEU 68 Ca 0.00 -2.16 -0.28 0.00 -0.22 0.00 0.00 54.13 51.47 2cr3 s LEU 68 Cb 0.00 -1.80 -0.09 0.00 0.50 0.00 0.00 46.19 44.80 2cr3 s LEU 68 CO 0.00 -0.50 0.97 -0.31 -1.32 0.00 0.00 176.35 175.19 2cr3 s TYR 69 N 0.94 3.78 -0.10 5.38 1.51 -0.63 -1.56 117.35 126.68 2cr3 s TYR 69 Ca 0.10 1.83 -0.03 0.00 -1.01 0.00 0.00 57.07 57.95 2cr3 s TYR 69 Cb -0.22 -3.00 0.04 0.00 -0.11 0.00 0.00 41.96 38.67 2cr3 s TYR 69 CO -0.05 0.18 0.06 0.00 -1.11 0.00 0.00 175.55 174.64 2cr3 s ALA 70 N -1.38 0.40 -0.21 3.71 0.00 -0.19 0.02 121.76 124.11 2cr3 s ALA 70 Ca 0.46 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.21 2cr3 s ALA 70 Cb -0.24 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 2cr3 s ALA 70 CO 0.29 -0.78 0.24 0.00 0.00 0.00 0.00 175.76 175.52 2cr3 s VAL 72 N 0.93 2.39 -0.14 0.00 1.01 0.98 -1.21 120.40 124.35 2cr3 s VAL 72 Ca 0.12 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 2cr3 s VAL 72 Cb -0.13 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2cr3 s VAL 72 CO 0.04 0.52 0.05 0.42 0.00 0.00 0.00 175.10 176.14 2cr3 s THR 73 N 1.08 4.74 -0.50 3.92 -4.23 -1.10 0.17 115.64 119.73 2cr3 s THR 73 Ca -0.00 -0.06 -0.18 0.00 -1.18 0.00 0.00 61.69 60.26 2cr3 s THR 73 Cb -0.14 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 70.68 2cr3 s THR 73 CO -0.06 0.53 0.55 -0.44 -0.54 0.00 0.00 174.62 174.67 2cr3 s SER 74 N -0.24 6.20 0.22 3.99 0.01 -0.97 -3.12 113.70 119.79 2cr3 s SER 74 Ca 0.08 -1.09 0.10 0.00 1.31 0.00 0.00 55.95 56.34 2cr3 s SER 74 Cb -0.12 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2cr3 s SER 74 CO 0.02 -0.83 -0.09 -0.94 0.41 0.00 0.00 173.24 171.81 2cr3 s SER 75 N 2.73 4.23 0.00 2.44 1.04 -0.75 -1.79 113.70 121.60 2cr3 s SER 75 Ca 0.11 -0.66 0.15 0.00 0.48 0.00 0.00 55.95 56.04 2cr3 s SER 75 Cb -0.21 -0.69 0.92 0.00 0.10 0.00 0.00 66.02 66.14 2cr3 s SER 75 CO 0.10 0.07 1.34 -0.81 0.98 0.00 0.00 173.24 174.91 2cr3 n PRO 76 N -0.30 0.49 -0.00 4.02 -0.04 -1.26 -1.94 135.00 135.97 2cr3 n PRO 76 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 2cr3 n PRO 76 Cb 0.57 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.99 1.33 0.00 3.54 2.88 -1.26 -5.11 113.62 114.01 2cr3 n SER 77 Ca 0.12 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 2cr3 n SER 77 Cb 0.05 1.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.62 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 1.47 -0.53 3.10 0.46 0.00 -0.82 -5.11 105.19 103.76 2cr3 n GLY 78 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.67 0.63 1.61 1.04 -1.26 -1.81 113.70 109.24 2cr3 s SER 79 Ca 0.00 0.69 -0.05 0.00 0.48 0.00 0.00 55.95 57.07 2cr3 s SER 79 Cb 0.00 1.72 0.04 0.00 0.10 0.00 0.00 66.02 67.88 2cr3 s SER 79 CO 0.00 -0.27 0.92 -0.62 0.98 0.00 0.00 173.24 174.25 2cr3 s ASP 80 N 2.73 5.18 -0.15 7.02 -1.08 -1.18 -4.92 116.67 124.26 2cr3 s ASP 80 Ca 0.14 0.43 -0.09 0.00 -0.52 0.00 0.00 52.55 52.51 2cr3 s ASP 80 Cb -0.15 -1.26 0.05 0.00 -1.46 0.00 0.00 42.92 40.11 2cr3 s ASP 80 CO -0.18 -1.31 0.38 -0.89 0.52 0.00 0.00 175.17 173.68 2cr3 s THR 81 N -3.04 -0.02 -0.12 1.71 2.01 -1.26 -2.71 115.64 112.21 2cr3 s THR 81 Ca 0.57 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.67 2cr3 s THR 81 Cb -0.11 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.86 2cr3 s THR 81 CO 0.43 0.04 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.36 2cr3 s THR 82 N 1.19 1.53 0.34 -0.82 2.01 -0.35 -4.94 115.64 114.60 2cr3 s THR 82 Ca -0.08 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 2cr3 s THR 82 Cb -0.08 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 2cr3 s THR 82 CO -0.10 0.45 0.55 -0.31 -0.69 0.00 0.00 174.62 174.52 2cr3 s TYR 83 N 1.15 3.50 -0.25 4.92 1.51 -1.25 -0.74 117.35 126.19 2cr3 s TYR 83 Ca -0.03 0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 56.40 2cr3 s TYR 83 Cb -0.14 -1.92 0.14 0.00 -0.11 0.00 0.00 41.96 39.92 2cr3 s TYR 83 CO -0.05 0.12 0.38 -0.06 -1.11 0.00 0.00 175.55 174.84 2cr3 s PHE 84 N -2.30 -0.84 -0.51 2.71 0.40 0.10 -2.40 117.98 115.13 2cr3 s PHE 84 Ca 0.40 0.79 -0.27 0.00 -0.60 0.00 0.00 56.93 57.26 2cr3 s PHE 84 Cb -0.10 0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.47 2cr3 s PHE 84 CO 0.36 -0.74 1.06 0.45 0.70 0.00 0.00 175.22 177.05 2cr3 s SER 85 N 2.55 6.50 0.07 1.36 0.15 0.22 -1.60 113.70 122.94 2cr3 s SER 85 Ca 0.13 0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.94 2cr3 s SER 85 Cb -0.15 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2cr3 s SER 85 CO -0.17 -1.26 0.06 -0.69 1.20 0.00 0.00 173.24 172.38 2cr3 s VAL 86 N 4.31 4.43 -0.26 4.45 1.01 -0.58 0.18 120.40 133.95 2cr3 s VAL 86 Ca 0.41 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2cr3 s VAL 86 Cb -0.09 -3.11 0.13 0.00 0.00 0.00 0.00 36.38 33.30 2cr3 s VAL 86 CO 0.27 0.15 0.31 0.21 0.00 0.00 0.00 175.10 176.04 2cr3 s ASN 87 N -2.29 1.09 -0.28 3.32 2.47 -1.23 -3.13 114.94 114.90 2cr3 s ASN 87 Ca 0.28 -0.33 -0.11 0.00 0.42 0.00 0.00 52.86 53.11 2cr3 s ASN 87 Cb -0.12 0.70 -0.05 0.00 -1.45 0.00 0.00 41.25 40.33 2cr3 s ASN 87 CO 0.20 -0.35 0.21 -0.69 -3.72 0.00 0.00 177.10 172.75 2cr3 s VAL 88 N 2.42 5.30 -0.21 -5.21 1.01 -1.26 -0.40 120.40 122.05 2cr3 s VAL 88 Ca 0.10 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 2cr3 s VAL 88 Cb -0.15 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 32.77 2cr3 s VAL 88 CO -0.23 0.22 0.85 -0.55 0.00 0.00 0.00 175.10 175.39 2cr3 s SER 89 N 1.75 -0.58 0.57 3.32 0.15 0.13 -3.54 113.70 115.50 2cr3 s SER 89 Ca 0.08 0.94 0.36 0.00 0.70 0.00 0.00 55.95 58.02 2cr3 s SER 89 Cb -0.16 0.90 1.94 0.00 -1.71 0.00 0.00 66.02 66.99 2cr3 s SER 89 CO 0.11 -0.31 2.09 -2.24 1.20 0.00 0.00 173.24 174.08 2cr3 h ASP 90 N 3.92 0.00 -3.19 5.45 3.04 -1.91 -3.31 116.42 120.42 2cr3 h ASP 90 Ca -0.27 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 52.96 2cr3 h ASP 90 Cb 1.16 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.40 2cr3 h ASP 90 CO 0.18 0.00 1.08 0.00 -2.04 0.00 0.00 179.24 178.46 2cr3 s ALA 91 N -3.96 2.99 0.07 4.15 0.00 -1.26 -4.99 121.76 118.76 2cr3 s ALA 91 Ca -0.04 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.69 2cr3 s ALA 91 Cb 0.10 -3.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 2cr3 s ALA 91 CO 0.32 -2.52 -0.11 -0.51 0.00 0.00 0.00 175.76 172.95 2cr3 s LEU 92 N 5.60 2.31 0.36 0.00 1.43 -1.26 -4.96 118.68 122.16 2cr3 s LEU 92 Ca 0.60 -0.65 0.27 0.00 -1.03 0.00 0.00 54.13 53.31 2cr3 s LEU 92 Cb -0.13 -0.32 1.14 0.00 0.03 0.00 0.00 46.19 46.90 2cr3 s LEU 92 CO 0.31 -0.18 1.81 1.55 0.23 0.00 0.00 176.35 180.07 2cr3 h PRO 93 N 4.14 0.00 -5.91 1.29 0.13 -1.99 -3.42 132.00 126.24 2cr3 h PRO 93 Ca -0.38 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.30 2cr3 h PRO 93 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2cr3 h PRO 93 CO 0.44 0.00 1.22 0.45 -0.23 0.00 0.00 178.00 179.88 2cr3 s SER 94 N -4.73 5.22 0.17 1.44 0.15 -1.26 -4.92 113.70 109.77 2cr3 s SER 94 Ca 0.03 0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.51 2cr3 s SER 94 Cb 0.09 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.69 2cr3 s SER 94 CO 0.44 -2.47 0.68 0.61 1.20 0.00 0.00 173.24 173.69 2cr3 n GLY 95 N 5.96 -1.32 0.03 9.45 0.00 -1.26 -4.80 105.19 113.25 2cr3 n GLY 95 Ca 0.25 0.42 0.08 0.00 0.00 0.00 0.00 46.02 46.77 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 1.10 0.04 -4.25 1.61 -0.04 -1.26 -4.72 135.00 127.48 2cr3 n PRO 96 Ca 0.18 0.29 -0.29 0.00 -0.04 0.00 0.00 63.50 63.64 2cr3 n PRO 96 Cb 0.23 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 2cr3 n PRO 96 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cr3 s SER 97 N -3.27 4.31 0.10 3.54 0.01 -1.26 -5.05 113.70 112.08 2cr3 s SER 97 Ca 0.06 -0.46 -0.33 0.00 1.31 0.00 0.00 55.95 56.53 2cr3 s SER 97 Cb 0.09 -0.78 -0.14 0.00 0.21 0.00 0.00 66.02 65.40 2cr3 s SER 97 CO 0.29 0.15 1.59 0.28 0.41 0.00 0.00 173.24 175.95 2cr3 h SER 98 N 3.37 -1.20 0.00 2.44 0.02 -2.01 -3.53 113.55 112.64 2cr3 h SER 98 Ca -0.48 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2cr3 h SER 98 Cb 1.18 0.41 0.00 0.00 0.14 0.00 0.00 62.40 64.13 2cr3 h SER 98 CO 0.52 -0.57 0.00 0.61 -1.14 0.00 0.00 176.83 176.26