#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr6 n SER 2 N 0.00 -5.16 -0.04 1.61 7.64 -1.26 -4.86 113.62 111.55 2cr6 n SER 2 Ca 0.00 0.17 -0.15 0.00 1.01 0.00 0.00 58.87 59.90 2cr6 n SER 2 Cb 0.00 -4.40 -0.08 0.00 -1.01 0.00 0.00 64.21 58.72 2cr6 n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2cr6 h SER 3 N 0.00 0.45 0.00 6.43 0.02 -2.12 -3.48 113.55 114.85 2cr6 h SER 3 Ca -0.42 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 59.94 2cr6 h SER 3 Cb 1.28 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2cr6 h SER 3 CO 0.52 0.97 0.00 0.61 -1.14 0.00 0.00 176.83 177.79 2cr6 n GLY 4 N 0.55 0.95 3.50 -3.77 0.00 -1.26 -5.14 105.19 100.03 2cr6 n GLY 4 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 2cr6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr6 s SER 5 N -1.85 2.72 0.32 1.61 0.01 -1.26 -5.17 113.70 110.08 2cr6 s SER 5 Ca 0.00 -1.66 -0.18 0.00 1.31 0.00 0.00 55.95 55.43 2cr6 s SER 5 Cb 0.00 0.47 0.06 0.00 0.21 0.00 0.00 66.02 66.76 2cr6 s SER 5 CO 0.00 -0.91 0.88 -0.94 0.41 0.00 0.00 173.24 172.68 2cr6 s SER 6 N -3.59 0.02 0.00 2.44 1.04 -1.26 -5.12 113.70 107.23 2cr6 s SER 6 Ca 0.25 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2cr6 s SER 6 Cb 0.03 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2cr6 s SER 6 CO 0.15 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.51 2cr6 n GLY 7 N -0.60 -2.30 3.27 7.32 0.00 -1.26 -5.17 105.19 106.46 2cr6 n GLY 7 Ca -0.07 0.75 -0.18 0.00 0.00 0.00 0.00 46.02 46.53 2cr6 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cr6 s LEU 8 N -1.15 1.60 -0.40 0.99 1.02 -1.26 -5.13 118.68 114.35 2cr6 s LEU 8 Ca 0.00 -1.67 -0.09 0.00 0.02 0.00 0.00 54.13 52.38 2cr6 s LEU 8 Cb 0.00 0.56 0.06 0.00 0.02 0.00 0.00 46.19 46.83 2cr6 s LEU 8 CO 0.00 -1.03 0.23 -0.69 0.02 0.00 0.00 176.35 174.89 2cr6 s VAL 9 N -3.58 4.26 0.36 -1.59 1.01 -1.26 -5.05 120.40 114.55 2cr6 s VAL 9 Ca 0.40 -1.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2cr6 s VAL 9 Cb 0.03 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2cr6 s VAL 9 CO 0.24 -0.42 0.52 -1.10 0.00 0.00 0.00 175.10 174.34 2cr6 s GLN 10 N 1.45 2.00 4.33 2.72 -0.21 -1.26 -5.05 119.66 123.64 2cr6 s GLN 10 Ca 0.02 -1.77 0.00 0.00 0.02 0.00 0.00 55.36 53.63 2cr6 s GLN 10 Cb -0.22 0.47 0.00 0.00 1.00 0.00 0.00 33.01 34.26 2cr6 s GLN 10 CO 0.03 -0.85 0.00 0.41 -2.12 0.00 0.00 175.29 172.77 2cr6 n GLY 11 N -0.59 0.98 3.63 3.09 0.00 -1.26 -4.79 105.19 106.25 2cr6 n GLY 11 Ca 0.00 0.37 -0.49 0.00 0.00 0.00 0.00 46.02 45.90 2cr6 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr6 n ARG 12 N 0.00 1.70 -4.76 1.61 5.12 -1.26 -4.98 116.66 114.09 2cr6 n ARG 12 Ca 0.00 0.61 -0.28 0.00 -1.93 0.00 0.00 57.85 56.26 2cr6 n ARG 12 Cb 0.00 -2.32 -0.14 0.00 -1.16 0.00 0.00 32.46 28.84 2cr6 n ARG 12 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2cr6 s ARG 13 N 0.68 1.57 -0.02 5.56 6.06 -1.26 -4.81 118.95 126.73 2cr6 s ARG 13 Ca 0.81 -1.02 0.06 0.00 -2.50 0.00 0.00 55.73 53.08 2cr6 s ARG 13 Cb -0.80 -1.72 -0.01 0.00 0.06 0.00 0.00 34.95 32.48 2cr6 s ARG 13 CO 0.42 0.44 -0.19 0.08 -2.50 0.00 0.00 175.30 173.55 2cr6 s VAL 14 N -0.80 1.51 -0.20 7.11 1.01 -1.26 -4.42 120.40 123.35 2cr6 s VAL 14 Ca 0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2cr6 s VAL 14 Cb -0.09 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.08 2cr6 s VAL 14 CO 0.02 0.43 -0.02 -1.00 0.00 0.00 0.00 175.10 174.53 2cr6 s HIS 15 N -0.44 1.72 -0.44 5.22 3.76 -0.85 -4.58 115.29 119.68 2cr6 s HIS 15 Ca 0.07 -1.24 -0.26 0.00 -0.15 0.00 0.00 55.06 53.47 2cr6 s HIS 15 Cb -0.07 -1.31 -0.07 0.00 1.11 0.00 0.00 32.58 32.24 2cr6 s HIS 15 CO -0.01 -0.67 2.38 0.42 -0.85 0.00 0.00 174.74 176.01 2cr6 s ILE 16 N 1.63 3.00 -0.05 0.60 -1.09 -1.26 -1.89 121.20 122.13 2cr6 s ILE 16 Ca -0.02 0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.34 2cr6 s ILE 16 Cb -0.17 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.67 2cr6 s ILE 16 CO -0.07 -0.01 0.29 0.40 -1.23 0.00 0.00 174.94 174.32 2cr6 h ILE 17 N 7.59 0.00 -2.92 2.92 2.04 -1.75 -3.42 117.51 121.97 2cr6 h ILE 17 Ca -0.28 -0.62 -0.61 0.00 1.00 0.00 0.00 64.86 64.35 2cr6 h ILE 17 Cb 1.26 0.00 -0.41 0.00 -0.74 0.00 0.00 36.82 36.93 2cr6 h ILE 17 CO 1.12 0.00 -0.63 -0.62 0.00 0.00 0.00 178.15 178.02 2cr6 n GLU 18 N -4.28 1.67 -0.94 2.37 1.02 0.33 -4.96 120.64 115.85 2cr6 n GLU 18 Ca -0.03 -4.33 -0.34 0.00 -0.02 0.00 0.00 57.16 52.45 2cr6 n GLU 18 Cb 0.08 -2.20 0.11 0.00 -0.02 0.00 0.00 31.44 29.41 2cr6 n GLU 18 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2cr6 n ASP 19 N 1.98 -1.66 -4.02 1.62 -0.08 -1.26 -0.89 116.55 112.25 2cr6 n ASP 19 Ca 0.22 0.41 -0.28 0.00 -1.51 0.00 0.00 54.79 53.63 2cr6 n ASP 19 Cb 0.37 -1.23 0.20 0.00 2.34 0.00 0.00 41.12 42.80 2cr6 n ASP 19 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2cr6 n LEU 20 N -1.16 -1.82 0.00 -2.67 4.77 -1.26 -4.80 117.00 110.07 2cr6 n LEU 20 Ca 0.08 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2cr6 n LEU 20 Cb 0.52 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2cr6 n LEU 20 CO 0.50 -3.35 0.00 -0.62 -1.33 0.00 0.00 177.39 172.59 2cr6 n GLU 21 N -2.93 0.00 0.00 3.23 1.02 -1.26 -4.88 120.64 115.82 2cr6 n GLU 21 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2cr6 n GLU 21 Cb 0.55 -0.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 2cr6 n GLU 21 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2cr6 n ASP 22 N -1.63 0.00 -3.75 1.62 5.68 -1.26 -4.13 116.55 113.09 2cr6 n ASP 22 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2cr6 n ASP 22 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 2cr6 n ASP 22 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2cr6 s VAL 23 N -2.00 0.01 -0.27 2.12 1.01 -0.90 -4.97 120.40 115.40 2cr6 s VAL 23 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2cr6 s VAL 23 Cb 0.00 -0.55 0.15 0.00 0.00 0.00 0.00 36.38 35.99 2cr6 s VAL 23 CO 0.00 -0.05 0.41 1.51 0.00 0.00 0.00 175.10 176.97 2cr6 s ASP 24 N -0.11 0.23 0.14 3.32 -4.77 -1.25 -0.33 116.67 113.90 2cr6 s ASP 24 Ca -0.03 -0.11 -0.11 0.00 -3.30 0.00 0.00 52.55 49.00 2cr6 s ASP 24 Cb -0.03 1.17 0.00 0.00 -1.09 0.00 0.00 42.92 42.97 2cr6 s ASP 24 CO 0.01 -0.33 0.30 0.68 0.70 0.00 0.00 175.17 176.53 2cr6 s VAL 25 N 2.56 0.09 0.28 2.11 -7.23 -1.16 -5.00 120.40 112.05 2cr6 s VAL 25 Ca 0.11 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 2cr6 s VAL 25 Cb -0.13 -1.57 -0.11 0.00 0.56 0.00 0.00 36.38 35.13 2cr6 s VAL 25 CO -0.25 -0.39 1.51 0.00 -0.31 0.00 0.00 175.10 175.66 2cr6 s GLN 26 N -3.90 4.20 0.56 4.82 -2.07 -1.26 -2.64 119.66 119.36 2cr6 s GLN 26 Ca 0.11 2.44 -0.19 0.00 -1.82 0.00 0.00 55.36 55.89 2cr6 s GLN 26 Cb 0.03 -3.06 -0.08 0.00 -1.09 0.00 0.00 33.01 28.81 2cr6 s GLN 26 CO -0.05 -0.51 0.72 -0.85 -1.32 0.00 0.00 175.29 173.27 2cr6 n GLU 27 N 2.12 0.72 0.00 9.60 -0.00 0.85 -2.39 120.64 131.54 2cr6 n GLU 27 Ca 0.07 0.28 0.00 0.00 -0.00 0.00 0.00 57.16 57.50 2cr6 n GLU 27 Cb 0.39 -1.87 0.00 0.00 -0.00 0.00 0.00 31.44 29.96 2cr6 n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cr6 n GLY 28 N 1.56 2.57 2.01 -1.84 0.00 0.65 -4.59 105.19 105.56 2cr6 n GLY 28 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2cr6 n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr6 n SER 29 N 0.00 0.35 -4.29 1.61 7.64 -1.00 -1.84 113.62 116.09 2cr6 n SER 29 Ca 0.00 -1.41 -0.40 0.00 1.01 0.00 0.00 58.87 58.07 2cr6 n SER 29 Cb 0.00 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 62.66 2cr6 n SER 29 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr6 s SER 30 N -3.34 5.67 -0.49 6.43 1.04 -1.26 -3.10 113.70 118.65 2cr6 s SER 30 Ca 0.37 -1.43 -0.20 0.00 0.48 0.00 0.00 55.95 55.17 2cr6 s SER 30 Cb -0.01 -2.00 0.04 0.00 0.10 0.00 0.00 66.02 64.15 2cr6 s SER 30 CO 0.25 -0.52 0.68 0.00 0.98 0.00 0.00 173.24 174.64 2cr6 s ALA 31 N 1.45 3.33 0.12 5.32 0.00 -1.20 -4.85 121.76 125.93 2cr6 s ALA 31 Ca 0.03 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 2cr6 s ALA 31 Cb -0.23 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 2cr6 s ALA 31 CO 0.03 -2.00 1.04 0.99 0.00 0.00 0.00 175.76 175.82 2cr6 s THR 32 N 2.92 4.24 -0.49 0.00 2.01 -1.25 -3.39 115.64 119.68 2cr6 s THR 32 Ca 0.20 1.83 0.03 0.00 0.31 0.00 0.00 61.69 64.06 2cr6 s THR 32 Cb -0.16 -4.17 0.14 0.00 0.01 0.00 0.00 72.50 68.32 2cr6 s THR 32 CO 0.15 0.26 0.27 -0.36 -0.69 0.00 0.00 174.62 174.26 2cr6 s PHE 33 N 0.12 2.43 0.29 4.92 0.08 -0.91 -4.91 117.98 119.99 2cr6 s PHE 33 Ca 0.50 -2.72 -0.22 0.00 0.12 0.00 0.00 56.93 54.61 2cr6 s PHE 33 Cb -0.26 -2.18 -0.09 0.00 -0.57 0.00 0.00 43.02 39.91 2cr6 s PHE 33 CO 0.31 -0.75 0.84 0.50 -0.10 0.00 0.00 175.22 176.03 2cr6 s ARG 34 N -0.01 4.38 -0.29 0.44 3.52 -1.26 -3.16 118.95 122.58 2cr6 s ARG 34 Ca 0.19 1.09 -0.15 0.00 -0.13 0.00 0.00 55.73 56.72 2cr6 s ARG 34 Cb -0.22 -2.75 0.14 0.00 -1.56 0.00 0.00 34.95 30.56 2cr6 s ARG 34 CO -0.02 0.29 0.92 0.00 -0.81 0.00 0.00 175.30 175.68 2cr6 s ARG 36 N 1.68 4.00 -0.06 0.00 3.52 -0.07 -2.39 118.95 125.64 2cr6 s ARG 36 Ca -0.08 0.16 -0.06 0.00 -0.13 0.00 0.00 55.73 55.63 2cr6 s ARG 36 Cb -0.05 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 2cr6 s ARG 36 CO -0.16 0.48 0.17 0.96 -0.81 0.00 0.00 175.30 175.93 2cr6 s ILE 37 N -0.28 0.01 -0.01 4.11 -4.36 -1.14 -0.51 121.20 119.02 2cr6 s ILE 37 Ca 0.19 -0.05 -0.07 0.00 -0.26 0.00 0.00 60.65 60.46 2cr6 s ILE 37 Cb -0.14 -0.25 -0.05 0.00 1.25 0.00 0.00 42.46 43.27 2cr6 s ILE 37 CO 0.07 -0.03 0.26 -0.55 0.24 0.00 0.00 174.94 174.94 2cr6 s SER 38 N -0.01 6.50 0.63 4.36 0.15 -0.79 -3.27 113.70 121.27 2cr6 s SER 38 Ca -0.01 0.58 -0.16 0.00 0.70 0.00 0.00 55.95 57.06 2cr6 s SER 38 Cb -0.02 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 62.18 2cr6 s SER 38 CO 0.00 0.28 1.12 -2.16 1.20 0.00 0.00 173.24 173.68 2cr6 s PRO 39 N -1.62 2.95 0.58 5.44 0.04 -1.26 -2.00 135.00 139.13 2cr6 s PRO 39 Ca 0.26 1.45 0.39 0.00 0.04 0.00 0.00 61.00 63.14 2cr6 s PRO 39 Cb -0.13 -1.96 2.13 0.00 0.04 0.00 0.00 34.50 34.57 2cr6 s PRO 39 CO 0.14 -1.14 2.20 0.00 0.04 0.00 0.00 177.00 178.24 2cr6 h ALA 40 N 0.34 1.00 -0.87 8.56 0.00 -1.81 -1.54 119.26 124.94 2cr6 h ALA 40 Ca -0.48 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 2cr6 h ALA 40 Cb 1.25 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.67 2cr6 h ALA 40 CO 0.55 0.00 -0.07 0.09 0.00 0.00 0.00 179.25 179.82 2cr6 n ASN 41 N -2.87 6.15 -4.77 0.00 3.02 -1.26 -1.75 115.26 113.78 2cr6 n ASN 41 Ca -0.03 -3.77 -0.39 0.00 -0.03 0.00 0.00 54.58 50.36 2cr6 n ASN 41 Cb 0.06 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.55 2cr6 n ASN 41 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2cr6 s TYR 42 N -3.70 3.78 -0.29 3.10 5.04 -0.58 -5.04 117.35 119.65 2cr6 s TYR 42 Ca 0.57 1.42 -0.39 0.00 -2.44 0.00 0.00 57.07 56.23 2cr6 s TYR 42 Cb 0.45 -2.70 0.16 0.00 0.35 0.00 0.00 41.96 40.22 2cr6 s TYR 42 CO 0.01 0.41 1.39 -1.83 -1.34 0.00 0.00 175.55 174.19 2cr6 s GLU 43 N -0.55 0.02 1.17 4.97 -1.05 -1.26 -4.72 118.70 117.28 2cr6 s GLU 43 Ca 0.34 -0.01 -0.18 0.00 -0.15 0.00 0.00 54.97 54.98 2cr6 s GLU 43 Cb -0.20 0.01 0.27 0.00 -0.44 0.00 0.00 34.13 33.77 2cr6 s GLU 43 CO 0.22 -0.01 1.11 -1.25 0.95 0.00 0.00 175.26 176.28 2cr6 s PRO 44 N -2.00 -0.99 0.19 -4.83 0.04 -1.26 -5.17 135.00 120.98 2cr6 s PRO 44 Ca 0.12 0.02 0.10 0.00 0.04 0.00 0.00 61.00 61.28 2cr6 s PRO 44 Cb -0.01 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 2cr6 s PRO 44 CO -0.02 -3.58 -0.21 0.14 0.04 0.00 0.00 177.00 173.37 2cr6 s VAL 45 N -3.00 2.08 0.12 -0.36 -7.23 -1.26 -4.96 120.40 105.80 2cr6 s VAL 45 Ca 0.70 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.98 2cr6 s VAL 45 Cb -0.11 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2cr6 s VAL 45 CO 0.56 -0.24 -0.27 -1.00 -0.31 0.00 0.00 175.10 173.84 2cr6 s HIS 46 N -1.93 2.29 -0.02 2.82 3.76 -1.12 -5.05 115.29 116.04 2cr6 s HIS 46 Ca 0.19 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2cr6 s HIS 46 Cb -0.07 -1.25 0.02 0.00 1.11 0.00 0.00 32.58 32.40 2cr6 s HIS 46 CO 0.09 0.32 0.01 -1.58 -0.85 0.00 0.00 174.74 172.73 2cr6 s TRP 47 N -1.05 0.11 0.13 1.40 0.52 -1.26 -1.91 118.94 116.88 2cr6 s TRP 47 Ca 0.14 0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.34 2cr6 s TRP 47 Cb -0.10 -0.22 -0.04 0.00 -1.15 0.00 0.00 33.47 31.96 2cr6 s TRP 47 CO 0.06 -0.07 -0.07 -0.06 0.02 0.00 0.00 176.95 176.83 2cr6 s PHE 48 N 0.71 1.09 -0.22 -1.98 0.40 -1.20 -0.09 117.98 116.69 2cr6 s PHE 48 Ca -0.06 -0.87 -0.04 0.00 -0.60 0.00 0.00 56.93 55.35 2cr6 s PHE 48 Cb -0.09 -0.60 0.08 0.00 0.51 0.00 0.00 43.02 42.92 2cr6 s PHE 48 CO -0.02 -0.07 0.11 -1.17 0.70 0.00 0.00 175.22 174.77 2cr6 s LEU 49 N -3.11 0.46 0.00 -0.37 1.98 -0.36 -0.23 118.68 117.04 2cr6 s LEU 49 Ca 0.16 -0.91 0.00 0.00 -2.89 0.00 0.00 54.13 50.48 2cr6 s LEU 49 Cb 0.04 -0.30 0.00 0.00 0.66 0.00 0.00 46.19 46.60 2cr6 s LEU 49 CO -0.01 -0.39 0.00 0.47 -1.89 0.00 0.00 176.35 174.53 2cr6 n ASP 50 N 5.26 0.00 -2.72 3.68 9.92 -1.08 -2.22 116.55 129.38 2cr6 n ASP 50 Ca -0.07 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.17 2cr6 n ASP 50 Cb 0.46 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.04 2cr6 n ASP 50 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2cr6 n LYS 51 N 0.00 1.43 -3.69 -1.24 2.85 -1.26 -5.03 118.16 111.22 2cr6 n LYS 51 Ca 0.00 -2.08 -0.10 0.00 -1.05 0.00 0.00 58.31 55.08 2cr6 n LYS 51 Cb 0.00 -0.32 -0.11 0.00 -0.65 0.00 0.00 35.03 33.95 2cr6 n LYS 51 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2cr6 s THR 52 N -1.19 -0.04 0.53 0.58 2.01 -0.94 -5.16 115.64 111.42 2cr6 s THR 52 Ca 0.17 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.07 2cr6 s THR 52 Cb 0.41 -0.60 -0.06 0.00 0.01 0.00 0.00 72.50 72.25 2cr6 s THR 52 CO -0.09 0.04 1.14 -2.16 -0.69 0.00 0.00 174.62 172.86 2cr6 s PRO 53 N 1.43 3.44 -0.09 4.92 0.04 -1.26 -1.23 135.00 142.25 2cr6 s PRO 53 Ca -0.09 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.62 2cr6 s PRO 53 Cb -0.09 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2cr6 s PRO 53 CO -0.13 -0.78 -0.19 -0.51 0.04 0.00 0.00 177.00 175.43 2cr6 s LEU 54 N -3.63 1.90 0.03 -3.56 1.43 0.87 -4.89 118.68 110.82 2cr6 s LEU 54 Ca 0.71 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 2cr6 s LEU 54 Cb -0.25 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 2cr6 s LEU 54 CO 0.28 0.10 -0.10 -1.00 0.23 0.00 0.00 176.35 175.86 2cr6 s HIS 55 N 0.55 0.90 0.17 0.29 3.76 -1.26 -4.16 115.29 115.53 2cr6 s HIS 55 Ca -0.15 -0.36 -0.34 0.00 -0.15 0.00 0.00 55.06 54.06 2cr6 s HIS 55 Cb -0.17 -0.54 -0.14 0.00 1.11 0.00 0.00 32.58 32.84 2cr6 s HIS 55 CO 0.05 -0.01 1.50 0.00 -0.85 0.00 0.00 174.74 175.44 2cr6 n ALA 56 N 1.92 0.97 -3.41 -1.40 0.00 -1.26 -4.62 120.51 112.70 2cr6 n ALA 56 Ca -0.19 0.45 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2cr6 n ALA 56 Cb 0.55 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2cr6 n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2cr6 n ASN 57 N 3.01 -0.88 -0.03 0.00 3.02 0.86 -4.90 115.26 116.35 2cr6 n ASN 57 Ca 0.16 -1.79 0.23 0.00 -0.03 0.00 0.00 54.58 53.16 2cr6 n ASN 57 Cb 0.28 1.51 0.72 0.00 -0.61 0.00 0.00 39.78 41.68 2cr6 n ASN 57 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2cr6 h GLU 58 N 0.00 0.00 0.00 3.52 4.81 -2.01 -2.57 114.58 118.33 2cr6 h GLU 58 Ca -0.14 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.85 2cr6 h GLU 58 Cb 0.56 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2cr6 h GLU 58 CO 0.18 0.00 -1.92 1.28 -0.73 0.00 0.00 179.01 177.82 2cr6 n LEU 59 N -4.00 2.65 -4.70 1.64 4.77 -1.26 -4.96 117.00 111.13 2cr6 n LEU 59 Ca 0.12 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 2cr6 n LEU 59 Cb 0.76 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2cr6 n LEU 59 CO 0.33 0.72 0.69 0.20 -1.33 0.00 0.00 177.39 178.00 2cr6 s ASN 60 N -5.46 7.26 -0.08 -1.43 -0.87 -0.97 -1.33 114.94 112.06 2cr6 s ASN 60 Ca -0.20 1.53 0.04 0.00 -1.57 0.00 0.00 52.86 52.66 2cr6 s ASN 60 Cb 0.05 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.75 2cr6 s ASN 60 CO 0.39 -0.32 -0.19 -0.70 -2.57 0.00 0.00 177.10 173.70 2cr6 s GLU 61 N 1.43 2.42 -0.33 -0.60 -6.30 -0.96 -0.10 118.70 114.25 2cr6 s GLU 61 Ca 0.48 -0.70 -0.01 0.00 -2.50 0.00 0.00 54.97 52.25 2cr6 s GLU 61 Cb -0.19 -1.91 0.11 0.00 0.00 0.00 0.00 34.13 32.14 2cr6 s GLU 61 CO 0.22 0.16 0.13 0.42 0.02 0.00 0.00 175.26 176.21 2cr6 s ILE 62 N 0.36 0.82 0.63 -3.70 1.01 -1.26 -0.08 121.20 118.98 2cr6 s ILE 62 Ca -0.14 -1.53 -0.09 0.00 0.00 0.00 0.00 60.65 58.89 2cr6 s ILE 62 Cb -0.16 -1.61 0.14 0.00 0.01 0.00 0.00 42.46 40.84 2cr6 s ILE 62 CO 0.06 -0.73 0.86 -0.67 0.00 0.00 0.00 174.94 174.45 2cr6 n ASP 63 N 4.64 0.20 -2.99 3.58 2.03 0.38 -4.94 116.55 119.46 2cr6 n ASP 63 Ca 0.00 -1.39 -0.15 0.00 0.52 0.00 0.00 54.79 53.77 2cr6 n ASP 63 Cb 0.41 -0.64 0.01 0.00 -0.72 0.00 0.00 41.12 40.18 2cr6 n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cr6 n ALA 64 N -3.47 0.78 -0.80 -1.67 0.00 -1.26 -3.61 120.51 110.48 2cr6 n ALA 64 Ca -0.14 -2.55 -0.33 0.00 0.00 0.00 0.00 53.44 50.42 2cr6 n ALA 64 Cb 0.39 -1.03 0.12 0.00 0.00 0.00 0.00 19.45 18.93 2cr6 n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cr6 n GLN 65 N 0.64 -0.37 -2.22 0.00 6.02 -1.09 -4.85 117.38 115.50 2cr6 n GLN 65 Ca 0.16 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 2cr6 n GLN 65 Cb 0.65 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 2cr6 n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2cr6 s PRO 66 N -3.52 4.39 0.00 -1.09 0.04 -1.26 -3.02 135.00 130.53 2cr6 s PRO 66 Ca 0.56 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2cr6 s PRO 66 Cb -0.20 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2cr6 s PRO 66 CO 0.68 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.87 2cr6 n GLY 67 N 2.47 0.99 2.07 0.56 0.00 -1.26 -4.28 105.19 105.74 2cr6 n GLY 67 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2cr6 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr6 n GLY 68 N -2.02 0.37 3.08 -0.02 0.00 -0.71 -4.55 105.19 101.34 2cr6 n GLY 68 Ca 0.00 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 2cr6 n GLY 68 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cr6 n TYR 69 N -3.63 3.78 -1.90 1.61 4.02 -1.17 -2.86 117.16 117.01 2cr6 n TYR 69 Ca -0.04 -2.98 -0.43 0.00 -0.01 0.00 0.00 57.90 54.45 2cr6 n TYR 69 Cb 0.38 -2.21 -0.03 0.00 -0.02 0.00 0.00 39.34 37.47 2cr6 n TYR 69 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2cr6 s HIS 70 N 1.69 1.69 -0.16 -0.72 3.76 -1.00 -2.68 115.29 117.87 2cr6 s HIS 70 Ca 0.44 0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 55.68 2cr6 s HIS 70 Cb 0.07 -4.04 -0.04 0.00 1.11 0.00 0.00 32.58 29.68 2cr6 s HIS 70 CO -0.00 -3.66 0.03 0.08 -0.85 0.00 0.00 174.74 170.33 2cr6 s VAL 71 N 6.11 4.49 -0.28 -0.90 1.01 -1.24 -3.18 120.40 126.41 2cr6 s VAL 71 Ca 0.83 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.67 2cr6 s VAL 71 Cb -0.29 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.16 2cr6 s VAL 71 CO 0.33 0.50 -0.05 -0.22 0.00 0.00 0.00 175.10 175.66 2cr6 s LEU 72 N 0.14 3.76 -0.88 3.92 2.96 -1.19 -0.47 118.68 126.92 2cr6 s LEU 72 Ca 0.03 -1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 52.37 2cr6 s LEU 72 Cb -0.13 -1.61 0.23 0.00 0.50 0.00 0.00 46.19 45.18 2cr6 s LEU 72 CO 0.01 -0.24 0.82 -0.89 -1.32 0.00 0.00 176.35 174.73 2cr6 s THR 73 N 1.13 5.45 -0.80 3.68 2.01 0.89 -2.15 115.64 125.85 2cr6 s THR 73 Ca -0.05 -2.83 -0.25 0.00 0.31 0.00 0.00 61.69 58.86 2cr6 s THR 73 Cb -0.20 -4.35 0.00 0.00 0.01 0.00 0.00 72.50 67.96 2cr6 s THR 73 CO -0.04 -1.05 1.64 -0.76 -0.69 0.00 0.00 174.62 173.72 2cr6 s LEU 74 N -0.29 3.27 0.28 4.42 1.43 -1.22 -2.27 118.68 124.30 2cr6 s LEU 74 Ca 0.21 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.60 2cr6 s LEU 74 Cb -0.11 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 2cr6 s LEU 74 CO -0.08 -2.14 0.87 -0.13 0.23 0.00 0.00 176.35 175.09 2cr6 s ARG 75 N 6.27 4.50 -0.99 1.70 0.52 -0.44 -3.25 118.95 127.26 2cr6 s ARG 75 Ca 0.55 1.20 -0.05 0.00 -0.52 0.00 0.00 55.73 56.90 2cr6 s ARG 75 Cb -0.07 -2.88 -0.06 0.00 0.52 0.00 0.00 34.95 32.46 2cr6 s ARG 75 CO 0.08 0.34 0.86 1.04 0.02 0.00 0.00 175.30 177.65 2cr6 n GLN 76 N 0.72 -2.43 -1.80 3.54 6.02 -0.77 -4.60 117.38 118.07 2cr6 n GLN 76 Ca 0.00 0.81 -0.30 0.00 -0.01 0.00 0.00 57.00 57.50 2cr6 n GLN 76 Cb 0.50 -5.56 0.22 0.00 1.02 0.00 0.00 30.24 26.42 2cr6 n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2cr6 s LEU 77 N -5.30 2.40 0.05 1.08 1.43 -1.22 -4.62 118.68 112.50 2cr6 s LEU 77 Ca 0.39 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 2cr6 s LEU 77 Cb -0.05 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 2cr6 s LEU 77 CO 0.69 -3.15 0.05 0.00 0.23 0.00 0.00 176.35 174.17 2cr6 s ALA 78 N -3.81 0.14 0.62 4.21 0.00 -1.26 -0.25 121.76 121.40 2cr6 s ALA 78 Ca 0.76 -0.82 0.33 0.00 0.00 0.00 0.00 51.96 52.24 2cr6 s ALA 78 Cb -0.03 0.29 1.93 0.00 0.00 0.00 0.00 23.12 25.30 2cr6 s ALA 78 CO 0.54 -0.36 2.22 -0.07 0.00 0.00 0.00 175.76 178.09 2cr6 h LEU 79 N 3.40 0.00 -0.48 0.00 3.38 -1.89 0.20 115.31 119.92 2cr6 h LEU 79 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2cr6 h LEU 79 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2cr6 h LEU 79 CO 0.56 0.00 0.00 0.07 0.09 0.00 0.00 178.44 179.16 2cr6 h LYS 80 N 0.00 0.00 0.00 1.13 2.10 -1.95 -3.00 116.57 114.85 2cr6 h LYS 80 Ca 0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 2cr6 h LYS 80 Cb 0.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2cr6 h LYS 80 CO -0.00 0.00 -0.15 0.22 -2.00 0.00 0.00 179.45 177.52 2cr6 h ASP 81 N 0.00 0.00 -1.02 7.07 3.58 -0.99 -3.44 116.42 121.62 2cr6 h ASP 81 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 2cr6 h ASP 81 Cb 0.75 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.78 2cr6 h ASP 81 CO 0.00 0.15 1.57 -1.20 -2.88 0.00 0.00 179.24 176.87 2cr6 n SER 82 N -3.25 1.80 0.00 2.28 7.64 -1.14 -4.59 113.62 116.36 2cr6 n SER 82 Ca 0.01 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2cr6 n SER 82 Cb 0.43 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2cr6 n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr6 n GLY 83 N 6.35 1.43 3.27 0.23 0.00 0.53 -4.96 105.19 112.04 2cr6 n GLY 83 Ca 0.45 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.78 2cr6 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cr6 s THR 84 N 2.07 -0.83 -0.17 2.61 2.01 -1.26 -1.74 115.64 118.32 2cr6 s THR 84 Ca 0.00 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 2cr6 s THR 84 Cb 0.00 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2cr6 s THR 84 CO 0.00 -0.01 1.82 -0.63 -0.69 0.00 0.00 174.62 175.11 2cr6 s ILE 85 N 2.75 3.41 -1.08 1.82 -1.09 -0.87 -2.64 121.20 123.49 2cr6 s ILE 85 Ca 0.06 0.46 -0.08 0.00 -2.23 0.00 0.00 60.65 58.86 2cr6 s ILE 85 Cb -0.14 -3.42 0.27 0.00 -1.58 0.00 0.00 42.46 37.59 2cr6 s ILE 85 CO -0.17 -0.18 1.06 -0.31 -1.23 0.00 0.00 174.94 174.11 2cr6 s TYR 86 N 5.78 4.22 0.65 3.97 2.02 0.68 -2.67 117.35 132.01 2cr6 s TYR 86 Ca 0.81 -2.74 -0.18 0.00 -0.37 0.00 0.00 57.07 54.59 2cr6 s TYR 86 Cb -0.30 -3.75 -0.01 0.00 -0.40 0.00 0.00 41.96 37.50 2cr6 s TYR 86 CO 0.33 -0.92 1.29 0.34 -1.57 0.00 0.00 175.55 175.02 2cr6 n PHE 87 N 2.65 1.93 -4.38 2.71 7.35 -1.21 -3.23 117.46 123.28 2cr6 n PHE 87 Ca 0.23 0.42 -0.21 0.00 -0.76 0.00 0.00 57.45 57.14 2cr6 n PHE 87 Cb 0.39 -2.27 -0.16 0.00 0.35 0.00 0.00 39.48 37.80 2cr6 n PHE 87 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2cr6 s GLU 88 N -3.39 1.01 -0.31 -4.13 2.02 -0.80 -2.33 118.70 110.78 2cr6 s GLU 88 Ca 0.83 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 55.56 2cr6 s GLU 88 Cb -0.38 -0.93 0.20 0.00 0.10 0.00 0.00 34.13 33.12 2cr6 s GLU 88 CO 0.40 0.09 0.67 0.00 0.02 0.00 0.00 175.26 176.44 2cr6 s ALA 89 N 0.31 -2.67 0.00 5.21 0.00 -1.25 -2.81 121.76 120.55 2cr6 s ALA 89 Ca -0.05 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2cr6 s ALA 89 Cb -0.10 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2cr6 s ALA 89 CO 0.01 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.25 2cr6 n GLY 90 N 5.22 1.75 0.00 0.00 0.00 -1.26 -2.66 105.19 108.24 2cr6 n GLY 90 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2cr6 n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cr6 n ASP 91 N 8.21 0.81 -3.71 1.61 2.03 -1.26 -5.02 116.55 119.22 2cr6 n ASP 91 Ca 0.00 -0.96 -0.15 0.00 0.52 0.00 0.00 54.79 54.20 2cr6 n ASP 91 Cb 0.00 0.07 0.08 0.00 -0.72 0.00 0.00 41.12 40.55 2cr6 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cr6 n GLN 92 N -0.07 0.18 -3.29 -0.67 1.13 -1.09 -5.06 117.38 108.51 2cr6 n GLN 92 Ca 0.00 -1.83 0.03 0.00 -1.94 0.00 0.00 57.00 53.26 2cr6 n GLN 92 Cb 0.03 -0.42 -0.04 0.00 0.11 0.00 0.00 30.24 29.92 2cr6 n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2cr6 s ARG 93 N -4.16 0.17 0.79 -1.09 3.52 -1.26 -3.79 118.95 113.12 2cr6 s ARG 93 Ca 0.44 0.43 -0.07 0.00 -0.13 0.00 0.00 55.73 56.40 2cr6 s ARG 93 Cb -0.03 0.26 0.13 0.00 -1.56 0.00 0.00 34.95 33.75 2cr6 s ARG 93 CO 0.29 -0.06 1.09 0.00 -0.81 0.00 0.00 175.30 175.81 2cr6 s ALA 94 N 2.28 3.13 -0.30 6.12 0.00 -0.98 -4.91 121.76 127.11 2cr6 s ALA 94 Ca -0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 2cr6 s ALA 94 Cb -0.04 -2.37 0.19 0.00 0.00 0.00 0.00 23.12 20.90 2cr6 s ALA 94 CO -0.17 -1.71 0.70 -1.54 0.00 0.00 0.00 175.76 173.04 2cr6 s SER 95 N -4.73 -1.26 -0.01 0.00 1.04 -1.24 -3.31 113.70 104.19 2cr6 s SER 95 Ca 0.67 0.49 0.06 0.00 0.48 0.00 0.00 55.95 57.64 2cr6 s SER 95 Cb -0.06 1.94 -0.03 0.00 0.10 0.00 0.00 66.02 67.97 2cr6 s SER 95 CO 0.47 -0.23 -0.18 0.00 0.98 0.00 0.00 173.24 174.27 2cr6 s ALA 96 N 2.87 2.52 -0.65 5.32 0.00 -1.09 -4.86 121.76 125.87 2cr6 s ALA 96 Ca 0.15 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 2cr6 s ALA 96 Cb -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2cr6 s ALA 96 CO -0.22 0.55 1.90 0.00 0.00 0.00 0.00 175.76 178.00 2cr6 s ALA 97 N -0.76 2.06 -0.88 0.00 0.00 -1.26 -2.05 121.76 118.87 2cr6 s ALA 97 Ca 0.12 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 51.12 2cr6 s ALA 97 Cb -0.10 -4.34 0.09 0.00 0.00 0.00 0.00 23.12 18.77 2cr6 s ALA 97 CO 0.02 -4.07 1.16 -1.17 0.00 0.00 0.00 175.76 171.70 2cr6 s LEU 98 N 9.40 4.48 -0.04 0.00 2.96 -0.71 -2.11 118.68 132.65 2cr6 s LEU 98 Ca 0.69 -1.60 -0.12 0.00 -0.22 0.00 0.00 54.13 52.88 2cr6 s LEU 98 Cb -0.12 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 2cr6 s LEU 98 CO 0.18 -1.28 0.32 -0.13 -1.32 0.00 0.00 176.35 174.11 2cr6 s ARG 99 N 3.64 3.75 -0.22 1.98 0.52 0.55 -0.34 118.95 128.83 2cr6 s ARG 99 Ca 0.33 0.22 -0.03 0.00 -0.52 0.00 0.00 55.73 55.73 2cr6 s ARG 99 Cb -0.07 -3.21 0.11 0.00 0.52 0.00 0.00 34.95 32.31 2cr6 s ARG 99 CO -0.04 0.72 0.32 0.08 0.02 0.00 0.00 175.30 176.40 2cr6 s VAL 100 N -1.06 -0.50 0.47 3.52 1.01 -1.26 -2.98 120.40 119.60 2cr6 s VAL 100 Ca 0.21 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.20 2cr6 s VAL 100 Cb -0.15 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.51 2cr6 s VAL 100 CO 0.10 -0.13 0.65 0.42 0.00 0.00 0.00 175.10 176.15 2cr6 s THR 101 N 2.47 2.82 0.99 3.92 -4.23 -1.08 -4.70 115.64 115.83 2cr6 s THR 101 Ca 0.10 -0.91 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 2cr6 s THR 101 Cb -0.15 -2.91 0.05 0.00 1.34 0.00 0.00 72.50 70.83 2cr6 s THR 101 CO -0.14 0.00 0.31 -0.62 -0.54 0.00 0.00 174.62 173.63 2cr6 n GLU 102 N -2.03 -0.62 -4.33 3.99 1.02 -1.26 -0.10 120.64 117.30 2cr6 n GLU 102 Ca 0.09 -0.15 -0.20 0.00 -0.02 0.00 0.00 57.16 56.88 2cr6 n GLU 102 Cb 0.59 -1.82 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 2cr6 n GLU 102 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2cr6 s LYS 103 N -3.59 1.28 -0.78 3.49 0.00 -1.26 -4.24 119.74 114.65 2cr6 s LYS 103 Ca 0.57 -1.47 -0.09 0.00 0.00 0.00 0.00 55.97 54.98 2cr6 s LYS 103 Cb -0.19 -1.22 -0.07 0.00 0.00 0.00 0.00 37.83 36.35 2cr6 s LYS 103 CO 0.67 0.23 1.95 -0.35 0.00 0.00 0.00 175.35 177.85 2cr6 n PRO 104 N 0.03 1.72 -3.11 1.78 -0.04 -1.26 -4.70 135.00 129.42 2cr6 n PRO 104 Ca -0.11 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 2cr6 n PRO 104 Cb 0.58 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2cr6 n PRO 104 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr6 n SER 105 N 4.99 0.00 -4.93 3.54 2.88 -1.26 -5.16 113.62 113.67 2cr6 n SER 105 Ca 0.41 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.67 2cr6 n SER 105 Cb 0.17 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 2cr6 n SER 105 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2cr6 s VAL 106 N -3.00 5.26 0.76 2.46 0.11 -1.26 -5.07 120.40 119.66 2cr6 s VAL 106 Ca 0.00 -0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 58.46 2cr6 s VAL 106 Cb 0.00 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2cr6 s VAL 106 CO 0.00 -0.10 0.39 0.49 -3.33 0.00 0.00 175.10 172.55 2cr6 n PHE 107 N -0.48 -1.29 0.05 1.54 3.01 -1.26 -4.94 117.46 114.09 2cr6 n PHE 107 Ca -0.05 0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.72 2cr6 n PHE 107 Cb 0.53 -1.85 0.00 0.00 -0.01 0.00 0.00 39.48 38.15 2cr6 n PHE 107 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2cr6 n SER 108 N -0.03 -0.11 -0.05 4.37 2.88 -1.26 -4.91 113.62 114.50 2cr6 n SER 108 Ca 0.09 0.19 -0.08 0.00 -1.33 0.00 0.00 58.87 57.73 2cr6 n SER 108 Cb 0.51 0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 64.15 2cr6 n SER 108 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2cr6 h ARG 109 N 0.00 -0.21 -2.79 -1.46 9.65 -1.82 -3.43 114.38 114.31 2cr6 h ARG 109 Ca 0.00 0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.76 2cr6 h ARG 109 Cb 0.00 0.05 -0.25 0.00 -1.39 0.00 0.00 29.97 28.38 2cr6 h ARG 109 CO 0.00 -0.14 -0.29 -1.54 2.80 0.00 0.00 179.97 180.80 2cr6 s SER 110 N -5.05 -0.41 0.02 -3.80 1.04 -1.26 -5.11 113.70 99.11 2cr6 s SER 110 Ca -0.15 0.78 -0.23 0.00 0.48 0.00 0.00 55.95 56.83 2cr6 s SER 110 Cb 0.12 0.75 0.08 0.00 0.10 0.00 0.00 66.02 67.07 2cr6 s SER 110 CO 0.68 -0.15 1.04 0.61 0.98 0.00 0.00 173.24 176.41 2cr6 n GLY 111 N 3.25 0.37 0.25 7.32 0.00 -1.26 -4.91 105.19 110.21 2cr6 n GLY 111 Ca -0.16 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 44.95 2cr6 n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr6 h PRO 112 N 0.00 0.00 -6.53 1.61 0.13 -2.01 -3.44 132.00 121.77 2cr6 h PRO 112 Ca -0.19 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.41 2cr6 h PRO 112 Cb 1.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.17 2cr6 h PRO 112 CO 0.27 0.13 1.10 -1.54 -0.23 0.00 0.00 178.00 177.73 2cr6 s SER 113 N -6.00 6.42 0.07 1.44 1.04 -1.26 -4.88 113.70 110.53 2cr6 s SER 113 Ca 0.00 2.77 0.15 0.00 0.48 0.00 0.00 55.95 59.35 2cr6 s SER 113 Cb 0.10 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 63.52 2cr6 s SER 113 CO 0.59 -1.00 0.89 -1.28 0.98 0.00 0.00 173.24 173.43 2cr6 h SER 114 N 8.35 0.00 0.00 7.02 0.87 -2.05 -3.52 113.55 124.23 2cr6 h SER 114 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2cr6 h SER 114 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2cr6 h SER 114 CO 0.95 0.66 0.00 0.61 -0.53 0.00 0.00 176.83 178.52