#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccl s VAL 6 N 0.00 4.32 -0.16 1.61 1.01 0.05 -4.47 120.40 122.75 2ccl s VAL 6 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.96 2ccl s VAL 6 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2ccl s VAL 6 CO 0.00 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 174.68 2ccl s VAL 7 N -0.70 2.50 -0.28 2.92 1.01 -0.07 -1.47 120.40 124.30 2ccl s VAL 7 Ca 0.42 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 2ccl s VAL 7 Cb -0.24 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2ccl s VAL 7 CO 0.29 0.52 0.07 -0.69 0.00 0.00 0.00 175.10 175.29 2ccl s VAL 8 N 0.99 3.97 -0.18 2.92 1.01 0.01 -0.35 120.40 128.77 2ccl s VAL 8 Ca -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2ccl s VAL 8 Cb -0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2ccl s VAL 8 CO -0.04 0.14 -0.08 -0.70 0.00 0.00 0.00 175.10 174.42 2ccl s GLU 9 N 1.51 3.37 -0.18 2.72 2.12 0.16 -0.28 118.70 128.12 2ccl s GLU 9 Ca 0.03 -0.65 -0.26 0.00 0.36 0.00 0.00 54.97 54.45 2ccl s GLU 9 Cb -0.17 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 2ccl s GLU 9 CO 0.02 -0.04 0.88 0.42 -0.54 0.00 0.00 175.26 176.01 2ccl s ILE 10 N 1.03 4.84 0.89 -3.70 1.01 0.14 0.09 121.20 125.51 2ccl s ILE 10 Ca -0.00 1.74 -0.10 0.00 0.00 0.00 0.00 60.65 62.28 2ccl s ILE 10 Cb -0.15 -4.18 0.13 0.00 0.01 0.00 0.00 42.46 38.27 2ccl s ILE 10 CO -0.01 -0.02 1.14 -0.83 0.00 0.00 0.00 174.94 175.22 2ccl s GLY 11 N 1.18 1.68 -0.17 6.18 0.00 0.13 -3.73 107.32 112.60 2ccl s GLY 11 Ca 0.40 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.65 2ccl s GLY 11 CO 0.12 0.93 -0.17 0.54 0.00 0.00 0.00 173.10 174.52 2ccl s LYS 12 N -4.69 3.11 0.27 2.90 1.02 -1.26 -1.00 119.74 120.09 2ccl s LYS 12 Ca 0.66 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.89 2ccl s LYS 12 Cb -0.22 -2.60 -0.06 0.00 -0.52 0.00 0.00 37.83 34.43 2ccl s LYS 12 CO 0.58 -0.10 0.04 0.14 -0.92 0.00 0.00 175.35 175.09 2ccl s VAL 13 N 1.07 1.00 0.20 3.17 -7.23 -0.14 -4.97 120.40 113.49 2ccl s VAL 13 Ca -0.01 -2.02 0.08 0.00 -1.81 0.00 0.00 61.98 58.23 2ccl s VAL 13 Cb -0.14 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 2ccl s VAL 13 CO -0.06 -0.13 -0.16 0.42 -0.31 0.00 0.00 175.10 174.86 2ccl s THR 14 N -3.44 1.80 0.00 5.32 -4.23 -1.26 -0.15 115.64 113.68 2ccl s THR 14 Ca 0.34 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2ccl s THR 14 Cb 0.07 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2ccl s THR 14 CO 0.12 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 2ccl n GLY 15 N -0.17 1.26 3.80 3.99 0.00 -1.26 -4.92 105.19 107.89 2ccl n GLY 15 Ca -0.10 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2ccl n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ccl s SER 16 N 0.00 5.55 0.17 1.61 0.01 -1.26 -4.92 113.70 114.86 2ccl s SER 16 Ca 0.00 1.82 -0.33 0.00 1.31 0.00 0.00 55.95 58.75 2ccl s SER 16 Cb 0.00 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.56 2ccl s SER 16 CO 0.00 -1.33 1.50 0.52 0.41 0.00 0.00 173.24 174.34 2ccl n VAL 17 N -2.31 0.26 0.00 3.43 0.31 -1.26 -2.22 118.33 116.53 2ccl n VAL 17 Ca 0.09 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2ccl n VAL 17 Cb 0.53 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 2ccl n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ccl n GLY 18 N 2.96 0.97 3.94 2.92 0.00 0.55 -5.01 105.19 111.52 2ccl n GLY 18 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2ccl n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ccl s THR 19 N -2.27 4.90 -0.15 2.61 -4.23 -0.94 -4.81 115.64 110.76 2ccl s THR 19 Ca 0.00 -0.37 -0.09 0.00 -1.18 0.00 0.00 61.69 60.05 2ccl s THR 19 Cb 0.00 -3.80 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 2ccl s THR 19 CO 0.00 -0.57 0.17 -0.89 -0.54 0.00 0.00 174.62 172.79 2ccl s THR 20 N -2.42 5.42 0.21 3.99 2.01 -1.26 -0.96 115.64 122.64 2ccl s THR 20 Ca 0.42 0.28 0.10 0.00 0.31 0.00 0.00 61.69 62.80 2ccl s THR 20 Cb -0.10 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 2ccl s THR 20 CO 0.38 0.53 -0.19 0.68 -0.69 0.00 0.00 174.62 175.32 2ccl s VAL 21 N -0.37 2.10 -0.20 3.82 -7.23 0.34 -4.98 120.40 113.88 2ccl s VAL 21 Ca 0.13 -2.14 -0.02 0.00 -1.81 0.00 0.00 61.98 58.13 2ccl s VAL 21 Cb -0.12 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.75 2ccl s VAL 21 CO 0.02 -0.36 -0.09 -1.61 -0.31 0.00 0.00 175.10 172.76 2ccl s GLU 22 N -3.15 3.28 -0.42 4.82 2.02 -1.26 -1.54 118.70 122.44 2ccl s GLU 22 Ca 0.22 -0.68 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 2ccl s GLU 22 Cb -0.05 -2.87 0.07 0.00 0.10 0.00 0.00 34.13 31.38 2ccl s GLU 22 CO 0.10 -0.17 0.28 0.42 0.02 0.00 0.00 175.26 175.91 2ccl s ILE 23 N 1.34 4.47 0.45 -1.63 1.09 0.49 -4.91 121.20 122.50 2ccl s ILE 23 Ca 0.04 -1.27 -0.21 0.00 -1.10 0.00 0.00 60.65 58.11 2ccl s ILE 23 Cb -0.14 -3.69 -0.09 0.00 -1.06 0.00 0.00 42.46 37.47 2ccl s ILE 23 CO -0.05 -0.49 1.01 -2.16 -0.10 0.00 0.00 174.94 173.15 2ccl s PRO 24 N 1.48 4.02 -0.29 2.79 0.04 -1.26 -0.92 135.00 140.87 2ccl s PRO 24 Ca 0.03 1.31 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 2ccl s PRO 24 Cb -0.23 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.13 2ccl s PRO 24 CO 0.04 -0.23 -0.00 0.08 0.04 0.00 0.00 177.00 176.92 2ccl s VAL 25 N -1.98 3.14 -0.01 -0.36 1.01 0.47 -0.69 120.40 121.98 2ccl s VAL 25 Ca 0.64 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 2ccl s VAL 25 Cb -0.15 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2ccl s VAL 25 CO 0.19 0.00 0.38 -0.31 0.00 0.00 0.00 175.10 175.36 2ccl s TYR 26 N 1.32 3.70 -0.16 5.22 1.51 0.11 -0.15 117.35 128.90 2ccl s TYR 26 Ca -0.02 0.93 -0.03 0.00 -1.01 0.00 0.00 57.07 56.93 2ccl s TYR 26 Cb -0.18 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 2ccl s TYR 26 CO -0.01 0.65 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.97 2ccl s PHE 27 N -1.10 3.00 0.29 2.71 0.40 0.25 -0.67 117.98 122.87 2ccl s PHE 27 Ca 0.24 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.26 2ccl s PHE 27 Cb -0.16 -1.96 -0.06 0.00 0.51 0.00 0.00 43.02 41.35 2ccl s PHE 27 CO 0.13 -0.08 -0.03 1.03 0.70 0.00 0.00 175.22 176.97 2ccl s ARG 28 N 0.43 1.58 -1.36 0.44 0.52 0.53 -1.93 118.95 119.17 2ccl s ARG 28 Ca -0.04 -1.82 -0.02 0.00 -0.52 0.00 0.00 55.73 53.33 2ccl s ARG 28 Cb -0.14 -1.10 0.00 0.00 0.52 0.00 0.00 34.95 34.23 2ccl s ARG 28 CO 0.03 -0.02 0.29 0.41 0.02 0.00 0.00 175.30 176.03 2ccl n GLY 29 N -0.61 -0.32 3.66 -3.53 0.00 -1.26 -0.89 105.19 102.24 2ccl n GLY 29 Ca -0.05 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 2ccl n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ccl n VAL 30 N -4.18 0.12 -0.77 1.61 0.31 -1.26 -4.01 118.33 110.16 2ccl n VAL 30 Ca -0.14 -0.03 -0.31 0.00 -0.01 0.00 0.00 64.34 63.85 2ccl n VAL 30 Cb 0.62 -1.47 0.16 0.00 -0.91 0.00 0.00 33.84 32.24 2ccl n VAL 30 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2ccl s PRO 31 N 0.70 1.18 0.56 5.55 0.02 -1.26 -4.89 135.00 136.86 2ccl s PRO 31 Ca 0.78 1.51 0.35 0.00 0.02 0.00 0.00 61.00 63.67 2ccl s PRO 31 Cb -0.70 -1.75 1.56 0.00 0.02 0.00 0.00 34.50 33.64 2ccl s PRO 31 CO 0.40 -2.51 2.05 0.66 -0.33 0.00 0.00 177.00 177.27 2ccl h SER 32 N -1.76 0.00 -0.29 2.53 4.64 -1.97 -1.97 113.55 114.74 2ccl h SER 32 Ca -0.43 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.82 2ccl h SER 32 Cb 1.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 2ccl h SER 32 CO 0.43 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.67 2ccl n LYS 33 N -3.05 2.47 -0.25 4.77 5.02 -1.26 -5.09 118.16 120.77 2ccl n LYS 33 Ca -0.00 -2.94 0.03 0.00 -2.02 0.00 0.00 58.31 53.38 2ccl n LYS 33 Cb 0.25 -1.83 -0.01 0.00 -0.02 0.00 0.00 35.03 33.43 2ccl n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ccl n GLY 34 N -0.78 -2.05 3.22 0.72 0.00 -0.74 -1.46 105.19 104.10 2ccl n GLY 34 Ca 0.26 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 2ccl n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ccl s ILE 35 N -0.88 3.22 0.07 -0.61 1.01 -0.02 -3.98 121.20 120.02 2ccl s ILE 35 Ca 0.00 -1.13 0.03 0.00 0.00 0.00 0.00 60.65 59.55 2ccl s ILE 35 Cb 0.00 -2.75 -0.24 0.00 0.01 0.00 0.00 42.46 39.48 2ccl s ILE 35 CO 0.00 0.00 1.11 0.00 0.00 0.00 0.00 174.94 176.06 2ccl h ALA 36 N 8.07 0.31 -2.30 9.38 0.00 -1.03 -0.84 119.26 132.85 2ccl h ALA 36 Ca -0.26 -0.99 -0.07 0.00 0.00 0.00 0.00 54.91 53.58 2ccl h ALA 36 Cb 1.09 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 2ccl h ALA 36 CO 0.57 1.19 0.05 0.54 0.00 0.00 0.00 179.25 181.60 2ccl s ASN 37 N -6.81 -0.50 -0.19 0.00 2.20 -1.18 -0.36 114.94 108.11 2ccl s ASN 37 Ca -0.02 0.39 -0.22 0.00 -0.94 0.00 0.00 52.86 52.07 2ccl s ASN 37 Cb 0.08 0.48 0.06 0.00 -2.00 0.00 0.00 41.25 39.88 2ccl s ASN 37 CO 0.84 -0.63 0.60 0.00 -2.94 0.00 0.00 177.10 174.97 2ccl s ASP 39 N -0.00 0.21 0.19 0.00 -4.77 -1.05 -0.69 116.67 110.56 2ccl s ASP 39 Ca -0.02 0.01 -0.15 0.00 -3.30 0.00 0.00 52.55 49.08 2ccl s ASP 39 Cb -0.04 -0.13 0.02 0.00 -1.09 0.00 0.00 42.92 41.68 2ccl s ASP 39 CO 0.02 -0.12 0.47 0.72 0.70 0.00 0.00 175.17 176.96 2ccl s PHE 40 N 1.05 0.00 -0.07 2.11 -0.12 -1.05 -0.49 117.98 119.42 2ccl s PHE 40 Ca -0.09 -0.35 0.03 0.00 -0.05 0.00 0.00 56.93 56.46 2ccl s PHE 40 Cb -0.13 0.29 0.01 0.00 -0.63 0.00 0.00 43.02 42.55 2ccl s PHE 40 CO -0.02 -0.87 -0.15 0.08 -0.05 0.00 0.00 175.22 174.20 2ccl s VAL 41 N -3.89 1.35 0.13 -2.49 1.01 0.10 -1.37 120.40 115.23 2ccl s VAL 41 Ca 0.11 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2ccl s VAL 41 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2ccl s VAL 41 CO -0.02 0.40 0.04 -0.36 0.00 0.00 0.00 175.10 175.16 2ccl s PHE 42 N 0.52 3.00 0.10 5.22 0.08 -0.34 -0.67 117.98 125.90 2ccl s PHE 42 Ca -0.14 -0.04 0.04 0.00 0.12 0.00 0.00 56.93 56.90 2ccl s PHE 42 Cb -0.16 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2ccl s PHE 42 CO 0.05 0.50 0.09 1.03 -0.10 0.00 0.00 175.22 176.79 2ccl s ARG 43 N -2.67 2.88 0.15 0.44 0.52 0.17 -1.12 118.95 119.32 2ccl s ARG 43 Ca 0.28 -0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.59 2ccl s ARG 43 Cb -0.11 -2.70 0.03 0.00 0.52 0.00 0.00 34.95 32.69 2ccl s ARG 43 CO 0.20 0.54 0.42 1.52 0.02 0.00 0.00 175.30 178.00 2ccl s TYR 44 N -1.49 -0.08 -0.37 -0.53 -0.85 -0.87 -1.10 117.35 112.05 2ccl s TYR 44 Ca 0.30 -0.26 -0.11 0.00 -0.52 0.00 0.00 57.07 56.48 2ccl s TYR 44 Cb -0.12 0.25 0.03 0.00 0.38 0.00 0.00 41.96 42.51 2ccl s TYR 44 CO 0.22 -0.78 0.20 0.34 -1.52 0.00 0.00 175.55 174.02 2ccl s ASP 45 N -2.85 5.70 0.20 -0.18 -1.08 -1.26 -4.66 116.67 112.54 2ccl s ASP 45 Ca 0.07 -1.02 0.20 0.00 -0.52 0.00 0.00 52.55 51.28 2ccl s ASP 45 Cb 0.01 -2.01 0.87 0.00 -1.46 0.00 0.00 42.92 40.34 2ccl s ASP 45 CO -0.07 -0.38 1.60 -0.81 0.52 0.00 0.00 175.17 176.03 2ccl n PRO 46 N 4.98 0.13 0.18 4.34 -0.04 -1.26 -1.28 135.00 142.05 2ccl n PRO 46 Ca -0.12 0.43 0.04 0.00 -0.04 0.00 0.00 63.50 63.81 2ccl n PRO 46 Cb 0.46 -1.79 0.34 0.00 -0.04 0.00 0.00 33.50 32.47 2ccl n PRO 46 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2ccl h ASN 47 N 0.00 0.00 0.00 3.54 2.35 -1.98 -3.34 115.58 116.16 2ccl h ASN 47 Ca 0.00 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.37 2ccl h ASN 47 Cb 0.25 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.55 2ccl h ASN 47 CO 0.00 0.40 -2.42 0.52 -1.65 0.00 0.00 177.43 174.28 2ccl n VAL 48 N -3.79 1.43 -4.17 2.81 0.31 -0.44 -4.23 118.33 110.24 2ccl n VAL 48 Ca -0.01 -0.58 -0.26 0.00 -0.01 0.00 0.00 64.34 63.47 2ccl n VAL 48 Cb 0.47 -1.29 -0.17 0.00 -0.91 0.00 0.00 33.84 31.94 2ccl n VAL 48 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2ccl s LEU 49 N -6.36 1.41 -0.52 7.52 1.43 -0.41 0.02 118.68 121.77 2ccl s LEU 49 Ca -0.31 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 52.29 2ccl s LEU 49 Cb 0.08 -0.87 0.08 0.00 0.03 0.00 0.00 46.19 45.51 2ccl s LEU 49 CO 0.60 -0.06 0.56 -0.70 0.23 0.00 0.00 176.35 176.98 2ccl s GLU 50 N 1.29 3.05 -0.32 1.70 2.12 -0.31 -4.11 118.70 122.12 2ccl s GLU 50 Ca -0.02 -1.21 -0.29 0.00 0.36 0.00 0.00 54.97 53.81 2ccl s GLU 50 Cb -0.14 -4.16 0.01 0.00 0.26 0.00 0.00 34.13 30.10 2ccl s GLU 50 CO -0.04 -1.24 1.18 0.42 -0.54 0.00 0.00 175.26 175.04 2ccl s ILE 51 N 2.22 4.32 -0.07 -3.70 1.01 -1.26 -0.66 121.20 123.06 2ccl s ILE 51 Ca 0.10 1.50 0.22 0.00 0.00 0.00 0.00 60.65 62.47 2ccl s ILE 51 Cb -0.23 -4.31 -0.27 0.00 0.01 0.00 0.00 42.46 37.66 2ccl s ILE 51 CO 0.08 -0.52 0.59 2.30 0.00 0.00 0.00 174.94 177.40 2ccl n ILE 52 N 6.08 0.14 -3.62 2.92 -5.35 0.09 -4.99 119.36 114.63 2ccl n ILE 52 Ca 0.13 -0.51 -0.01 0.00 -0.27 0.00 0.00 62.75 62.09 2ccl n ILE 52 Cb 0.47 -0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.28 2ccl n ILE 52 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2ccl s GLY 53 N -4.50 -0.27 -0.10 3.28 0.00 -1.15 -5.02 107.32 99.56 2ccl s GLY 53 Ca -0.07 1.70 -0.00 0.00 0.00 0.00 0.00 44.72 46.35 2ccl s GLY 53 CO 0.89 0.53 -0.07 -0.42 0.00 0.00 0.00 173.10 174.03 2ccl s ILE 54 N -2.02 0.93 -0.00 0.90 1.01 -1.26 0.17 121.20 120.93 2ccl s ILE 54 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 2ccl s ILE 54 Cb 0.01 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2ccl s ILE 54 CO -0.03 0.35 0.13 -1.81 0.00 0.00 0.00 174.94 173.57 2ccl s ASP 55 N 1.64 5.98 0.37 3.58 1.01 -0.26 -4.93 116.67 124.07 2ccl s ASP 55 Ca 0.03 0.23 -0.27 0.00 0.71 0.00 0.00 52.55 53.25 2ccl s ASP 55 Cb -0.13 -1.79 -0.09 0.00 1.01 0.00 0.00 42.92 41.92 2ccl s ASP 55 CO -0.07 0.26 1.25 -2.16 0.21 0.00 0.00 175.17 174.67 2ccl s PRO 56 N -1.85 4.16 0.90 8.23 0.04 -1.26 -0.57 135.00 144.65 2ccl s PRO 56 Ca 0.25 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 63.22 2ccl s PRO 56 Cb -0.12 -2.87 0.14 0.00 0.04 0.00 0.00 34.50 31.70 2ccl s PRO 56 CO 0.16 -0.30 1.23 0.20 0.04 0.00 0.00 177.00 178.34 2ccl s GLY 57 N -0.77 1.67 0.00 0.56 0.00 0.87 -4.74 107.32 104.90 2ccl s GLY 57 Ca 0.53 -0.88 0.23 0.00 0.00 0.00 0.00 44.72 44.61 2ccl s GLY 57 CO 0.47 -0.25 1.76 2.09 0.00 0.00 0.00 173.10 177.17 2ccl n ASP 58 N -3.62 0.00 -0.06 1.64 5.75 -1.15 -2.14 116.55 116.97 2ccl n ASP 58 Ca 0.11 -0.03 0.15 0.00 -0.01 0.00 0.00 54.79 55.01 2ccl n ASP 58 Cb 0.60 -0.29 0.77 0.00 -1.03 0.00 0.00 41.12 41.17 2ccl n ASP 58 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2ccl n ILE 59 N -1.29 0.00 -2.99 2.12 -5.35 -1.19 -4.58 119.36 106.08 2ccl n ILE 59 Ca 0.11 -0.03 -0.43 0.00 -0.27 0.00 0.00 62.75 62.13 2ccl n ILE 59 Cb 0.19 -0.33 -0.05 0.00 -1.74 0.00 0.00 39.64 37.70 2ccl n ILE 59 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2ccl s ILE 60 N -2.33 4.64 -0.98 7.28 -1.09 -0.91 -4.58 121.20 123.23 2ccl s ILE 60 Ca 0.35 0.13 0.21 0.00 -2.23 0.00 0.00 60.65 59.12 2ccl s ILE 60 Cb 0.21 -4.37 -0.23 0.00 -1.58 0.00 0.00 42.46 36.49 2ccl s ILE 60 CO 0.43 -0.85 0.91 1.33 -1.23 0.00 0.00 174.94 175.53 2ccl n VAL 61 N 6.00 0.00 -1.66 2.92 0.24 -1.26 -4.92 118.33 119.65 2ccl n VAL 61 Ca -0.00 -0.01 -0.50 0.00 -2.04 0.00 0.00 64.34 61.79 2ccl n VAL 61 Cb 0.47 0.96 -0.05 0.00 -1.47 0.00 0.00 33.84 33.75 2ccl n VAL 61 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2ccl n ASP 62 N -1.52 3.19 0.30 -1.34 -0.08 -1.26 -4.83 116.55 111.01 2ccl n ASP 62 Ca 0.04 0.90 0.20 0.00 -1.51 0.00 0.00 54.79 54.42 2ccl n ASP 62 Cb 0.33 -1.34 1.06 0.00 2.34 0.00 0.00 41.12 43.52 2ccl n ASP 62 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2ccl h PRO 63 N 9.54 0.00 -3.39 -0.67 0.13 -2.01 -2.66 132.00 132.94 2ccl h PRO 63 Ca -0.46 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 2ccl h PRO 63 Cb 1.28 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.02 2ccl h PRO 63 CO 0.96 0.00 -0.50 -0.80 -0.23 0.00 0.00 178.00 177.43 2ccl s ASN 64 N -4.86 4.77 0.47 1.44 -0.87 -1.26 -5.01 114.94 109.62 2ccl s ASN 64 Ca -0.04 -3.13 0.19 0.00 -1.57 0.00 0.00 52.86 48.31 2ccl s ASN 64 Cb 0.11 -1.72 1.19 0.00 -0.02 0.00 0.00 41.25 40.81 2ccl s ASN 64 CO 0.35 -0.25 1.96 -0.65 -2.57 0.00 0.00 177.10 175.94 2ccl h PRO 65 N 6.48 0.24 0.00 -0.60 0.11 -1.85 -1.94 132.00 134.44 2ccl h PRO 65 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2ccl h PRO 65 Cb 0.89 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2ccl h PRO 65 CO 0.71 0.16 0.00 1.79 -0.21 0.00 0.00 178.00 180.45 2ccl h THR 66 N 0.25 0.00 -0.05 -1.15 1.35 -1.90 0.21 112.91 111.62 2ccl h THR 66 Ca 0.31 -0.31 -0.12 0.00 -0.55 0.00 0.00 66.41 65.74 2ccl h THR 66 Cb 0.89 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2ccl h THR 66 CO -0.07 0.00 -0.54 0.11 -0.25 0.00 0.00 175.52 174.77 2ccl h LYS 67 N 0.00 0.13 0.00 4.72 1.79 -1.75 -3.35 116.57 118.12 2ccl h LYS 67 Ca 0.00 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 58.23 2ccl h LYS 67 Cb 0.40 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2ccl h LYS 67 CO 0.00 0.64 -1.91 0.43 -1.08 0.00 0.00 179.45 177.53 2ccl n SER 68 N -3.91 1.30 -4.04 0.86 7.64 -0.68 -4.62 113.62 110.18 2ccl n SER 68 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.60 2ccl n SER 68 Cb 0.56 1.23 -0.17 0.00 -1.01 0.00 0.00 64.21 64.82 2ccl n SER 68 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ccl s PHE 69 N -2.67 1.69 0.03 1.43 5.36 0.65 -1.08 117.98 123.38 2ccl s PHE 69 Ca -0.07 -0.71 -0.08 0.00 -0.96 0.00 0.00 56.93 55.12 2ccl s PHE 69 Cb 0.07 -1.24 -0.00 0.00 -0.34 0.00 0.00 43.02 41.51 2ccl s PHE 69 CO 0.64 -0.37 0.15 0.34 -1.46 0.00 0.00 175.22 174.52 2ccl s ASP 70 N 0.84 0.08 0.21 6.13 -1.08 -0.45 -4.22 116.67 118.17 2ccl s ASP 70 Ca -0.11 -0.38 0.01 0.00 -0.52 0.00 0.00 52.55 51.55 2ccl s ASP 70 Cb -0.15 0.25 -0.05 0.00 -1.46 0.00 0.00 42.92 41.51 2ccl s ASP 70 CO 0.01 -0.50 0.06 0.42 0.52 0.00 0.00 175.17 175.68 2ccl s THR 71 N -2.30 0.51 -0.04 1.71 -4.23 -1.26 -0.92 115.64 109.10 2ccl s THR 71 Ca -0.07 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.42 2ccl s THR 71 Cb -0.03 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.47 2ccl s THR 71 CO -0.03 -0.24 0.11 0.00 -0.54 0.00 0.00 174.62 173.93 2ccl s ALA 72 N -3.78 -0.24 -0.17 3.99 0.00 -0.69 -4.98 121.76 115.89 2ccl s ALA 72 Ca 0.31 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 2ccl s ALA 72 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2ccl s ALA 72 CO 0.08 -0.08 -0.10 0.42 0.00 0.00 0.00 175.76 176.09 2ccl s ILE 73 N 0.35 3.13 -0.51 0.00 1.01 -1.26 -0.90 121.20 123.01 2ccl s ILE 73 Ca -0.02 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2ccl s ILE 73 Cb -0.04 -2.36 0.14 0.00 0.01 0.00 0.00 42.46 40.22 2ccl s ILE 73 CO -0.01 0.49 0.29 -0.31 0.00 0.00 0.00 174.94 175.40 2ccl s TYR 74 N 0.81 2.67 0.21 3.97 1.51 -0.35 -4.99 117.35 121.18 2ccl s TYR 74 Ca -0.03 -2.86 -0.10 0.00 -1.01 0.00 0.00 57.07 53.06 2ccl s TYR 74 Cb -0.15 -2.34 0.20 0.00 -0.11 0.00 0.00 41.96 39.56 2ccl s TYR 74 CO 0.01 -0.73 1.85 -1.35 -1.11 0.00 0.00 175.55 174.21 2ccl h PRO 75 N 6.38 0.83 -0.52 -1.71 0.11 -1.96 0.54 132.00 135.67 2ccl h PRO 75 Ca -0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2ccl h PRO 75 Cb 0.88 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 2ccl h PRO 75 CO 0.60 0.55 0.26 -0.44 -0.21 0.00 0.00 178.00 178.75 2ccl h ASP 76 N 0.86 0.64 0.51 -2.05 5.19 -1.96 -2.52 116.42 117.09 2ccl h ASP 76 Ca 0.29 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 2ccl h ASP 76 Cb 0.04 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.39 2ccl h ASP 76 CO -0.12 0.54 -0.73 0.54 -3.12 0.00 0.00 179.24 176.36 2ccl n ARG 77 N -4.38 0.15 -2.66 3.56 1.74 -0.92 -4.98 116.66 109.17 2ccl n ARG 77 Ca 0.04 0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 56.97 2ccl n ARG 77 Cb 0.12 -1.57 0.02 0.00 -1.02 0.00 0.00 32.46 30.01 2ccl n ARG 77 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ccl n LYS 78 N -1.76 -2.94 -4.18 5.56 5.02 0.18 -5.01 118.16 115.03 2ccl n LYS 78 Ca 0.04 0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 56.93 2ccl n LYS 78 Cb 0.39 -5.17 -0.10 0.00 -0.02 0.00 0.00 35.03 30.12 2ccl n LYS 78 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2ccl s ILE 79 N -2.96 0.91 -0.00 -0.18 -4.36 -0.92 -2.05 121.20 111.64 2ccl s ILE 79 Ca 0.15 -1.76 0.06 0.00 -0.26 0.00 0.00 60.65 58.84 2ccl s ILE 79 Cb -0.07 -1.49 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 2ccl s ILE 79 CO 0.19 -0.66 -0.18 0.27 0.24 0.00 0.00 174.94 174.81 2ccl s ILE 80 N -2.82 1.41 -0.03 8.37 -4.36 -0.28 -1.22 121.20 122.28 2ccl s ILE 80 Ca 0.08 -0.84 0.07 0.00 -0.26 0.00 0.00 60.65 59.70 2ccl s ILE 80 Cb -0.00 -1.19 -0.02 0.00 1.25 0.00 0.00 42.46 42.50 2ccl s ILE 80 CO -0.01 0.33 -0.24 -0.69 0.24 0.00 0.00 174.94 174.57 2ccl s VAL 81 N -0.51 1.93 -0.09 8.37 1.01 -0.08 -1.20 120.40 129.84 2ccl s VAL 81 Ca 0.06 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2ccl s VAL 81 Cb -0.07 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2ccl s VAL 81 CO -0.00 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.06 2ccl s PHE 82 N -0.46 2.57 -0.16 5.22 0.40 -0.47 -1.70 117.98 123.37 2ccl s PHE 82 Ca 0.06 -0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 55.53 2ccl s PHE 82 Cb -0.10 -1.69 0.05 0.00 0.51 0.00 0.00 43.02 41.78 2ccl s PHE 82 CO 0.00 -0.30 -0.01 -1.17 0.70 0.00 0.00 175.22 174.44 2ccl s LEU 83 N 0.14 1.34 -0.12 -0.37 2.96 -0.10 -2.51 118.68 120.02 2ccl s LEU 83 Ca -0.12 -0.65 0.02 0.00 -0.22 0.00 0.00 54.13 53.16 2ccl s LEU 83 Cb -0.16 -0.74 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 2ccl s LEU 83 CO 0.06 -0.23 -0.17 0.12 -1.32 0.00 0.00 176.35 174.81 2ccl s PHE 84 N 1.75 2.71 -0.27 5.38 5.36 0.13 -1.34 117.98 131.71 2ccl s PHE 84 Ca 0.01 -0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 55.21 2ccl s PHE 84 Cb -0.16 -1.79 0.14 0.00 -0.34 0.00 0.00 43.02 40.88 2ccl s PHE 84 CO -0.07 -0.26 0.37 0.00 -1.46 0.00 0.00 175.22 173.79 2ccl s ALA 85 N 0.29 -0.98 0.11 11.12 0.00 -0.24 -0.81 121.76 131.25 2ccl s ALA 85 Ca -0.13 0.40 -0.35 0.00 0.00 0.00 0.00 51.96 51.88 2ccl s ALA 85 Cb -0.16 -1.83 -0.15 0.00 0.00 0.00 0.00 23.12 20.97 2ccl s ALA 85 CO 0.07 -1.53 1.51 -0.85 0.00 0.00 0.00 175.76 174.96 2ccl n GLU 86 N 5.35 1.76 0.03 0.00 -0.00 0.52 -4.43 120.64 123.86 2ccl n GLU 86 Ca -0.02 0.64 0.12 0.00 -0.00 0.00 0.00 57.16 57.90 2ccl n GLU 86 Cb 0.49 -2.36 0.16 0.00 -0.00 0.00 0.00 31.44 29.73 2ccl n GLU 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2ccl n ASP 87 N 3.27 0.62 -0.33 -1.84 2.03 -1.26 -4.12 116.55 114.92 2ccl n ASP 87 Ca 0.18 -0.08 0.02 0.00 0.52 0.00 0.00 54.79 55.43 2ccl n ASP 87 Cb 0.25 0.34 0.19 0.00 -0.72 0.00 0.00 41.12 41.18 2ccl n ASP 87 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2ccl h SER 88 N 0.00 1.00 0.00 1.67 4.64 -1.94 -3.46 113.55 115.45 2ccl h SER 88 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2ccl h SER 88 Cb 0.66 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2ccl h SER 88 CO 0.00 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 2ccl n GLY 89 N -1.39 1.36 0.03 -0.77 0.00 -1.26 -4.84 105.19 98.32 2ccl n GLY 89 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 2ccl n GLY 89 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ccl n THR 90 N -2.00 0.00 -0.16 2.61 -2.24 -1.26 -4.99 114.28 106.24 2ccl n THR 90 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2ccl n THR 90 Cb 0.00 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 2ccl n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ccl n GLY 91 N 0.83 0.58 0.25 3.38 0.00 -1.26 -4.98 105.19 103.99 2ccl n GLY 91 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 2ccl n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ccl h ALA 92 N 0.00 1.63 -0.58 4.61 0.00 -1.94 -2.69 119.26 120.28 2ccl h ALA 92 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ccl h ALA 92 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2ccl h ALA 92 CO 0.00 0.28 0.00 0.66 0.00 0.00 0.00 179.25 180.19 2ccl n TYR 93 N -4.34 1.24 -0.99 0.00 4.01 -1.26 -4.96 117.16 110.85 2ccl n TYR 93 Ca -0.01 -0.61 -0.32 0.00 -0.16 0.00 0.00 57.90 56.80 2ccl n TYR 93 Cb 0.22 -0.19 0.14 0.00 -0.31 0.00 0.00 39.34 39.19 2ccl n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ccl s ALA 94 N -1.73 1.76 -0.11 -0.72 0.00 -1.02 -4.55 121.76 115.39 2ccl s ALA 94 Ca 0.46 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 2ccl s ALA 94 Cb 0.29 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2ccl s ALA 94 CO 0.23 -2.39 1.07 0.42 0.00 0.00 0.00 175.76 175.09 2ccl s ILE 95 N -2.42 4.63 -0.05 0.00 1.01 -0.32 -4.81 121.20 119.24 2ccl s ILE 95 Ca 0.69 1.91 0.02 0.00 0.00 0.00 0.00 60.65 63.28 2ccl s ILE 95 Cb -0.25 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 2ccl s ILE 95 CO 0.53 -0.02 0.07 0.35 0.00 0.00 0.00 174.94 175.87 2ccl n THR 96 N 4.66 0.00 -4.24 2.92 -2.24 -1.26 -0.84 114.28 113.29 2ccl n THR 96 Ca 0.10 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.45 2ccl n THR 96 Cb 0.48 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.35 2ccl n THR 96 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ccl s LYS 97 N -1.62 1.01 0.70 -0.78 -2.85 -1.26 -4.94 119.74 110.00 2ccl s LYS 97 Ca 0.00 -1.30 -0.15 0.00 -1.00 0.00 0.00 55.97 53.52 2ccl s LYS 97 Cb 0.01 -0.75 0.02 0.00 -2.06 0.00 0.00 37.83 35.06 2ccl s LYS 97 CO 0.08 0.12 1.18 -0.51 0.10 0.00 0.00 175.35 176.33 2ccl s ASP 98 N -2.71 4.49 0.00 0.03 1.01 -1.26 -4.92 116.67 113.31 2ccl s ASP 98 Ca 0.11 2.28 0.00 0.00 0.71 0.00 0.00 52.55 55.65 2ccl s ASP 98 Cb -0.02 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2ccl s ASP 98 CO 0.02 -2.06 0.00 0.61 0.21 0.00 0.00 175.17 173.95 2ccl n GLY 99 N 0.20 0.13 3.65 0.21 0.00 -0.81 -4.99 105.19 103.58 2ccl n GLY 99 Ca 0.13 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2ccl n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ccl s VAL 100 N -3.05 4.77 -0.03 1.61 1.01 -1.26 -0.58 120.40 122.88 2ccl s VAL 100 Ca 0.00 1.73 -0.15 0.00 0.00 0.00 0.00 61.98 63.56 2ccl s VAL 100 Cb 0.00 -4.19 -0.32 0.00 0.00 0.00 0.00 36.38 31.87 2ccl s VAL 100 CO 0.00 -0.12 0.81 0.15 0.00 0.00 0.00 175.10 175.94 2ccl h PHE 101 N 7.61 0.76 -3.20 5.22 3.57 -0.89 -3.02 116.94 127.00 2ccl h PHE 101 Ca -0.22 -0.55 -0.06 0.00 3.53 0.00 0.00 57.97 60.67 2ccl h PHE 101 Cb 1.08 -0.03 -0.15 0.00 2.79 0.00 0.00 35.95 39.64 2ccl h PHE 101 CO 0.75 1.56 -0.07 0.00 -2.23 0.00 0.00 178.31 178.33 2ccl s ALA 102 N -2.55 -1.00 -0.18 2.41 0.00 -1.21 -0.09 121.76 119.14 2ccl s ALA 102 Ca -0.14 0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.98 2ccl s ALA 102 Cb 0.04 0.54 0.04 0.00 0.00 0.00 0.00 23.12 23.73 2ccl s ALA 102 CO 0.87 -0.56 -0.12 0.15 0.00 0.00 0.00 175.76 176.10 2ccl s LYS 103 N -3.18 2.14 -0.24 0.00 1.02 0.26 -0.40 119.74 119.34 2ccl s LYS 103 Ca -0.01 -0.76 -0.21 0.00 0.02 0.00 0.00 55.97 55.01 2ccl s LYS 103 Cb 0.01 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 2ccl s LYS 103 CO -0.07 -0.36 0.67 0.42 -0.92 0.00 0.00 175.35 175.08 2ccl s ILE 104 N 1.42 4.96 -0.23 2.17 1.01 -0.10 -1.10 121.20 129.33 2ccl s ILE 104 Ca 0.01 1.23 -0.14 0.00 0.00 0.00 0.00 60.65 61.74 2ccl s ILE 104 Cb -0.15 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2ccl s ILE 104 CO -0.09 0.02 0.34 -0.60 0.00 0.00 0.00 174.94 174.61 2ccl s ARG 105 N 2.51 4.10 -0.02 2.79 3.52 0.13 -0.38 118.95 131.59 2ccl s ARG 105 Ca 0.28 0.05 -0.01 0.00 -0.13 0.00 0.00 55.73 55.93 2ccl s ARG 105 Cb -0.15 -3.57 0.02 0.00 -1.56 0.00 0.00 34.95 29.68 2ccl s ARG 105 CO 0.08 -0.09 0.05 0.00 -0.81 0.00 0.00 175.30 174.54 2ccl s ALA 106 N 1.49 -0.06 -0.06 6.12 0.00 -0.59 -0.73 121.76 127.92 2ccl s ALA 106 Ca 0.15 0.27 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 2ccl s ALA 106 Cb -0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2ccl s ALA 106 CO 0.08 -0.07 0.64 0.99 0.00 0.00 0.00 175.76 177.40 2ccl s THR 107 N 0.55 5.04 -0.25 0.00 2.01 0.17 -0.50 115.64 122.66 2ccl s THR 107 Ca -0.04 1.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.98 2ccl s THR 107 Cb -0.06 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.47 2ccl s THR 107 CO -0.02 0.30 1.14 -0.69 -0.69 0.00 0.00 174.62 174.66 2ccl s VAL 108 N 0.57 4.46 -0.12 3.82 1.01 -0.13 -1.16 120.40 128.84 2ccl s VAL 108 Ca 0.34 1.73 0.20 0.00 0.00 0.00 0.00 61.98 64.24 2ccl s VAL 108 Cb -0.17 -4.24 -0.27 0.00 0.00 0.00 0.00 36.38 31.70 2ccl s VAL 108 CO 0.16 -0.30 0.37 0.29 0.00 0.00 0.00 175.10 175.63 2ccl n LYS 109 N 6.69 0.67 -3.88 2.72 5.02 0.10 -0.33 118.16 129.14 2ccl n LYS 109 Ca 0.13 -0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 2ccl n LYS 109 Cb 0.46 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 2ccl n LYS 109 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2ccl s SER 110 N -5.13 0.02 0.00 4.39 1.04 -1.20 -4.86 113.70 107.96 2ccl s SER 110 Ca -0.08 -0.72 0.28 0.00 0.48 0.00 0.00 55.95 55.91 2ccl s SER 110 Cb 0.10 0.42 1.27 0.00 0.10 0.00 0.00 66.02 67.90 2ccl s SER 110 CO 0.86 -0.85 1.93 -1.54 0.98 0.00 0.00 173.24 174.62 2ccl n SER 111 N -0.17 0.00 -4.74 7.02 3.41 -1.26 -4.83 113.62 113.05 2ccl n SER 111 Ca -0.11 0.35 -0.35 0.00 -0.26 0.00 0.00 58.87 58.50 2ccl n SER 111 Cb 0.63 -0.45 0.06 0.00 -0.26 0.00 0.00 64.21 64.19 2ccl n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ccl s ALA 112 N -2.90 2.38 0.31 7.33 0.00 -1.26 -4.82 121.76 122.79 2ccl s ALA 112 Ca 0.17 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 2ccl s ALA 112 Cb 0.19 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.71 2ccl s ALA 112 CO 0.50 -1.47 1.35 -2.30 0.00 0.00 0.00 175.76 173.84 2ccl n PRO 113 N -2.04 2.14 -3.52 0.00 -0.02 -1.26 -4.91 135.00 125.40 2ccl n PRO 113 Ca 0.14 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 62.03 2ccl n PRO 113 Cb 0.50 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 2ccl n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ccl n GLY 114 N 1.32 4.41 3.73 -1.23 0.00 0.36 -4.97 105.19 108.81 2ccl n GLY 114 Ca 0.07 -2.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.03 2ccl n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ccl s TYR 115 N -1.82 3.39 -0.22 1.61 4.12 -1.26 -0.67 117.35 122.50 2ccl s TYR 115 Ca 0.30 1.34 -0.05 0.00 0.02 0.00 0.00 57.07 58.69 2ccl s TYR 115 Cb -0.01 -3.47 -0.02 0.00 -1.52 0.00 0.00 41.96 36.95 2ccl s TYR 115 CO -0.07 -1.39 -0.01 0.42 0.02 0.00 0.00 175.55 174.52 2ccl s ILE 116 N 0.23 3.72 0.02 2.71 1.01 -0.01 -4.30 121.20 124.59 2ccl s ILE 116 Ca 0.55 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.88 2ccl s ILE 116 Cb -0.33 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2ccl s ILE 116 CO 0.35 0.41 -0.18 0.42 0.00 0.00 0.00 174.94 175.94 2ccl s THR 117 N 1.34 1.41 0.12 2.92 -4.23 -0.26 -2.49 115.64 114.45 2ccl s THR 117 Ca 0.04 -0.99 -0.31 0.00 -1.18 0.00 0.00 61.69 59.25 2ccl s THR 117 Cb -0.15 -1.22 -0.11 0.00 1.34 0.00 0.00 72.50 72.37 2ccl s THR 117 CO -0.00 0.21 1.86 0.33 -0.54 0.00 0.00 174.62 176.48 2ccl n PHE 118 N 2.14 2.63 -0.04 3.99 7.35 -1.26 0.43 117.46 132.69 2ccl n PHE 118 Ca -0.17 -0.18 -0.07 0.00 -0.76 0.00 0.00 57.45 56.28 2ccl n PHE 118 Cb 0.54 -2.74 -0.02 0.00 0.35 0.00 0.00 39.48 37.60 2ccl n PHE 118 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ccl n ASP 119 N 5.82 1.56 -3.80 -2.13 2.03 0.15 -4.81 116.55 115.37 2ccl n ASP 119 Ca 0.18 0.25 -0.13 0.00 0.52 0.00 0.00 54.79 55.62 2ccl n ASP 119 Cb 0.38 -0.57 -0.09 0.00 -0.72 0.00 0.00 41.12 40.11 2ccl n ASP 119 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2ccl s GLU 120 N -2.52 0.58 -0.03 -0.67 2.12 -0.98 -4.99 118.70 112.22 2ccl s GLU 120 Ca -0.18 -0.23 0.04 0.00 0.36 0.00 0.00 54.97 54.96 2ccl s GLU 120 Cb 0.03 0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.67 2ccl s GLU 120 CO 0.27 -0.15 -0.16 0.54 -0.54 0.00 0.00 175.26 175.22 2ccl s VAL 121 N -1.26 1.29 0.00 3.70 0.11 -1.26 0.03 120.40 123.01 2ccl s VAL 121 Ca -0.13 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2ccl s VAL 121 Cb -0.06 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 2ccl s VAL 121 CO 0.03 0.37 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 2ccl n GLY 122 N 2.95 1.13 3.14 6.54 0.00 0.35 -4.99 105.19 114.31 2ccl n GLY 122 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 2ccl n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ccl s GLY 123 N 0.00 0.78 -0.29 -0.02 0.00 -1.25 -4.98 107.32 101.57 2ccl s GLY 123 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 43.99 2ccl s GLY 123 CO 0.00 -0.70 -0.05 -1.36 0.00 0.00 0.00 173.10 170.99 2ccl s PHE 124 N -0.64 3.44 0.14 1.90 0.40 -1.26 -2.51 117.98 119.45 2ccl s PHE 124 Ca 0.04 -2.57 0.11 0.00 -0.60 0.00 0.00 56.93 53.91 2ccl s PHE 124 Cb -0.07 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 2ccl s PHE 124 CO 0.01 -0.90 -0.26 0.00 0.70 0.00 0.00 175.22 174.76 2ccl s ALA 125 N 1.03 2.43 0.82 5.36 0.00 -0.65 0.39 121.76 131.14 2ccl s ALA 125 Ca -0.02 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 2ccl s ALA 125 Cb -0.20 -0.39 0.11 0.00 0.00 0.00 0.00 23.12 22.64 2ccl s ALA 125 CO -0.06 0.53 0.71 -0.40 0.00 0.00 0.00 175.76 176.53 2ccl n ASP 126 N 0.80 0.38 0.12 0.00 5.68 -0.73 -0.60 116.55 122.21 2ccl n ASP 126 Ca -0.17 -1.46 0.10 0.00 -0.50 0.00 0.00 54.79 52.76 2ccl n ASP 126 Cb 0.53 -0.51 0.46 0.00 -1.14 0.00 0.00 41.12 40.47 2ccl n ASP 126 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2ccl n ASN 127 N -3.27 0.50 -1.16 -1.12 3.02 -0.53 -1.21 115.26 111.49 2ccl n ASN 127 Ca 0.10 0.67 0.11 0.00 -0.03 0.00 0.00 54.58 55.42 2ccl n ASN 127 Cb 0.35 -0.76 0.28 0.00 -0.61 0.00 0.00 39.78 39.04 2ccl n ASN 127 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ccl n ASP 128 N -2.10 3.38 -0.86 6.41 9.92 -1.26 -4.93 116.55 127.10 2ccl n ASP 128 Ca 0.01 -1.99 -0.11 0.00 -0.53 0.00 0.00 54.79 52.17 2ccl n ASP 128 Cb 0.13 -0.39 -0.05 0.00 -0.64 0.00 0.00 41.12 40.17 2ccl n ASP 128 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2ccl n LEU 129 N 1.36 -0.69 -4.64 0.64 4.77 -0.35 -4.98 117.00 113.11 2ccl n LEU 129 Ca 0.21 0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 56.04 2ccl n LEU 129 Cb 0.54 -2.04 -0.02 0.00 -2.33 0.00 0.00 43.42 39.57 2ccl n LEU 129 CO 0.15 -0.72 0.96 -0.69 -1.33 0.00 0.00 177.39 175.76 2ccl s VAL 130 N -2.28 4.52 0.35 4.08 1.01 -1.26 -4.78 120.40 122.03 2ccl s VAL 130 Ca 0.00 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 63.49 2ccl s VAL 130 Cb 0.00 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2ccl s VAL 130 CO 0.00 -0.39 1.16 -1.61 0.00 0.00 0.00 175.10 174.27 2ccl s GLU 131 N 3.56 4.32 0.09 2.72 2.02 -1.26 -1.77 118.70 128.38 2ccl s GLU 131 Ca 0.46 1.87 0.02 0.00 0.02 0.00 0.00 54.97 57.34 2ccl s GLU 131 Cb -0.14 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2ccl s GLU 131 CO 0.13 -0.10 0.17 -0.65 0.02 0.00 0.00 175.26 174.84 2ccl s GLN 132 N -1.93 3.21 0.22 1.61 -1.52 0.16 -4.96 119.66 116.45 2ccl s GLN 132 Ca 0.51 -0.58 -0.30 0.00 -1.95 0.00 0.00 55.36 53.04 2ccl s GLN 132 Cb -0.32 -2.89 -0.09 0.00 -0.22 0.00 0.00 33.01 29.48 2ccl s GLN 132 CO 0.41 0.57 1.34 0.21 -0.25 0.00 0.00 175.29 177.57 2ccl s LYS 133 N -2.63 4.36 -0.01 2.91 2.20 -1.26 -4.71 119.74 120.60 2ccl s LYS 133 Ca 0.33 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 2ccl s LYS 133 Cb -0.12 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2ccl s LYS 133 CO 0.26 -0.29 0.01 0.54 -0.36 0.00 0.00 175.35 175.51 2ccl s VAL 134 N 0.04 -0.01 0.08 4.02 0.11 -1.26 -0.77 120.40 122.60 2ccl s VAL 134 Ca 0.57 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.75 2ccl s VAL 134 Cb -0.38 -0.05 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2ccl s VAL 134 CO 0.40 0.04 -0.13 -0.94 -3.33 0.00 0.00 175.10 171.13 2ccl s SER 135 N 0.43 1.65 0.05 3.54 1.04 -0.55 -4.98 113.70 114.88 2ccl s SER 135 Ca -0.04 -0.66 0.08 0.00 0.48 0.00 0.00 55.95 55.82 2ccl s SER 135 Cb -0.05 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 2ccl s SER 135 CO -0.01 -0.11 -0.23 -0.36 0.98 0.00 0.00 173.24 173.51 2ccl s PHE 136 N -1.52 2.43 -0.20 5.02 0.40 -1.26 -0.81 117.98 122.03 2ccl s PHE 136 Ca -0.00 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 2ccl s PHE 136 Cb -0.09 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 42.05 2ccl s PHE 136 CO 0.02 0.19 -0.16 0.42 0.70 0.00 0.00 175.22 176.39 2ccl s ILE 137 N -0.87 2.26 0.64 0.64 1.01 0.61 -4.95 121.20 120.54 2ccl s ILE 137 Ca 0.13 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 2ccl s ILE 137 Cb -0.10 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 2ccl s ILE 137 CO 0.04 0.41 1.05 -1.81 0.00 0.00 0.00 174.94 174.63 2ccl s ASP 138 N 1.28 5.63 0.00 3.58 1.01 -1.26 -0.68 116.67 126.23 2ccl s ASP 138 Ca 0.02 1.70 0.00 0.00 0.71 0.00 0.00 52.55 54.98 2ccl s ASP 138 Cb -0.15 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2ccl s ASP 138 CO -0.10 -1.27 0.00 0.61 0.21 0.00 0.00 175.17 174.61 2ccl n GLY 139 N -1.55 3.75 0.00 0.21 0.00 -1.04 -4.68 105.19 101.89 2ccl n GLY 139 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2ccl n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ccl n GLY 140 N 0.00 0.27 3.36 -0.02 0.00 -0.17 -0.82 105.19 107.81 2ccl n GLY 140 Ca 0.00 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 2ccl n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ccl s VAL 141 N -1.09 2.61 -1.27 1.61 1.01 0.16 -0.96 120.40 122.46 2ccl s VAL 141 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 2ccl s VAL 141 Cb 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.38 2ccl s VAL 141 CO 0.00 0.57 0.59 0.59 0.00 0.00 0.00 175.10 176.85 2ccl n ASN 142 N 2.81 -3.01 0.28 3.32 3.02 0.79 -0.49 115.26 121.99 2ccl n ASN 142 Ca -0.17 -1.10 0.17 0.00 -0.03 0.00 0.00 54.58 53.45 2ccl n ASN 142 Cb 0.52 -2.74 0.78 0.00 -0.61 0.00 0.00 39.78 37.73 2ccl n ASN 142 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2ccl h VAL 143 N -2.04 0.10 -0.22 2.41 -1.51 -1.85 -2.87 116.25 110.26 2ccl h VAL 143 Ca -0.67 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 2ccl h VAL 143 Cb 1.38 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 2ccl h VAL 143 CO 0.55 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 177.53 2ccl n GLY 144 N -0.25 1.29 3.66 5.19 0.00 -1.26 -4.92 105.19 108.90 2ccl n GLY 144 Ca -0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 2ccl n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ccl s ASN 145 N -1.55 6.57 0.17 1.61 -0.87 -1.08 -4.95 114.94 114.84 2ccl s ASN 145 Ca 0.31 2.32 -0.23 0.00 -1.57 0.00 0.00 52.86 53.69 2ccl s ASN 145 Cb 0.20 -2.53 0.06 0.00 -0.02 0.00 0.00 41.25 38.96 2ccl s ASN 145 CO 0.28 -1.00 0.61 0.00 -2.57 0.00 0.00 177.10 174.42 2ccl s ALA 146 N 4.29 -1.54 -0.07 0.60 0.00 -1.26 -4.43 121.76 119.35 2ccl s ALA 146 Ca 0.78 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 2ccl s ALA 146 Cb -0.35 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 2ccl s ALA 146 CO 0.33 -0.79 1.07 0.99 0.00 0.00 0.00 175.76 177.36 2ccl s THR 147 N -3.77 4.59 0.49 0.00 2.01 -1.26 -5.01 115.64 112.69 2ccl s THR 147 Ca 0.02 1.88 -0.23 0.00 0.31 0.00 0.00 61.69 63.67 2ccl s THR 147 Cb -0.01 -4.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 2ccl s THR 147 CO -0.11 0.02 1.22 -0.81 -0.69 0.00 0.00 174.62 174.25 2ccl n PRO 148 N 4.92 1.62 0.01 4.92 -0.04 -1.26 -4.93 135.00 140.24 2ccl n PRO 148 Ca 0.09 0.59 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 2ccl n PRO 148 Cb 0.48 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 2ccl n PRO 148 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ccl n THR 149 N -0.76 0.08 -3.81 0.52 -2.24 -1.26 -5.01 114.28 101.80 2ccl n THR 149 Ca 0.09 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 2ccl n THR 149 Cb 0.42 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 2ccl n THR 149 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ccl s LYS 150 N -3.31 1.57 -0.22 -0.78 -2.85 -1.26 -5.12 119.74 107.77 2ccl s LYS 150 Ca -0.01 -0.95 -0.29 0.00 -1.00 0.00 0.00 55.97 53.72 2ccl s LYS 150 Cb 0.14 0.55 -0.00 0.00 -2.06 0.00 0.00 37.83 36.46 2ccl s LYS 150 CO 0.87 -0.69 1.21 -1.17 0.10 0.00 0.00 175.35 175.67 2ccl s LEU 151 N -2.91 4.08 0.10 2.77 2.96 -1.26 -5.00 118.68 119.41 2ccl s LEU 151 Ca 0.12 1.47 -0.21 0.00 -0.22 0.00 0.00 54.13 55.28 2ccl s LEU 151 Cb -0.03 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.18 2ccl s LEU 151 CO 0.02 -0.82 0.52 -1.83 -1.32 0.00 0.00 176.35 172.92 2ccl s GLU 152 N 3.60 1.12 0.00 1.98 -1.05 -1.26 -5.27 118.70 117.82 2ccl s GLU 152 Ca 0.52 -0.42 0.31 0.00 -0.15 0.00 0.00 54.97 55.23 2ccl s GLU 152 Cb -0.18 0.51 1.67 0.00 -0.44 0.00 0.00 34.13 35.69 2ccl s GLU 152 CO 0.15 -0.44 2.09 0.72 0.95 0.00 0.00 175.26 178.73