#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2t s PHE 13 N 0.00 3.27 0.90 -0.32 0.40 -1.26 -5.09 117.98 115.88 2b2t s PHE 13 Ca 0.00 -1.13 -0.12 0.00 -0.60 0.00 0.00 56.93 55.08 2b2t s PHE 13 Cb 0.00 -3.18 0.10 0.00 0.51 0.00 0.00 43.02 40.45 2b2t s PHE 13 CO 0.00 -0.83 0.95 0.39 0.70 0.00 0.00 175.22 176.42 2b2t n GLU 14 N 5.13 -0.26 -4.33 0.44 -0.58 -1.26 -4.66 120.64 115.12 2b2t n GLU 14 Ca -0.12 -0.01 -0.18 0.00 -0.42 0.00 0.00 57.16 56.43 2b2t n GLU 14 Cb 0.43 -2.24 -0.14 0.00 -0.57 0.00 0.00 31.44 28.92 2b2t n GLU 14 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2b2t s THR 15 N -2.44 0.68 -0.20 2.62 2.01 -1.26 -1.09 115.64 115.95 2b2t s THR 15 Ca 0.66 -0.41 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 2b2t s THR 15 Cb -0.24 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 2b2t s THR 15 CO 0.59 0.16 0.74 -0.63 -0.69 0.00 0.00 174.62 174.79 2b2t s ILE 16 N -0.26 4.93 -0.23 1.82 -1.09 -0.91 -0.77 121.20 124.69 2b2t s ILE 16 Ca 0.03 1.41 0.16 0.00 -2.23 0.00 0.00 60.65 60.02 2b2t s ILE 16 Cb -0.04 -4.05 -0.23 0.00 -1.58 0.00 0.00 42.46 36.57 2b2t s ILE 16 CO -0.00 0.03 0.44 -1.84 -1.23 0.00 0.00 174.94 172.34 2b2t n GLU 17 N 5.40 0.89 -3.60 2.79 0.28 -0.71 -4.75 120.64 120.94 2b2t n GLU 17 Ca 0.02 -0.10 -0.08 0.00 -0.16 0.00 0.00 57.16 56.84 2b2t n GLU 17 Cb 0.49 -1.34 -0.05 0.00 1.43 0.00 0.00 31.44 31.97 2b2t n GLU 17 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2b2t s ARG 18 N -2.92 0.45 0.23 3.44 0.52 -1.04 -5.00 118.95 114.62 2b2t s ARG 18 Ca -0.02 0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.39 2b2t s ARG 18 Cb 0.11 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.76 2b2t s ARG 18 CO 0.66 -0.13 0.29 -0.06 0.02 0.00 0.00 175.30 176.08 2b2t s PHE 19 N -0.94 3.33 1.42 -0.53 0.08 -1.26 -1.30 117.98 118.78 2b2t s PHE 19 Ca 0.01 -0.04 -0.24 0.00 0.12 0.00 0.00 56.93 56.79 2b2t s PHE 19 Cb -0.01 -1.52 0.37 0.00 -0.57 0.00 0.00 43.02 41.29 2b2t s PHE 19 CO -0.02 0.48 0.95 0.34 -0.10 0.00 0.00 175.22 176.87 2b2t s ASP 21 N -3.84 -1.05 0.05 1.36 -1.08 -1.22 -5.01 116.67 105.88 2b2t s ASP 21 Ca 0.34 0.74 -0.16 0.00 -0.52 0.00 0.00 52.55 52.95 2b2t s ASP 21 Cb -0.09 -1.01 0.03 0.00 -1.46 0.00 0.00 42.92 40.39 2b2t s ASP 21 CO 0.27 -5.34 0.36 0.00 0.52 0.00 0.00 175.17 170.98 2b2t s ARG 23 N -2.56 0.56 -0.26 0.00 1.70 -0.66 -4.98 118.95 112.75 2b2t s ARG 23 Ca -0.05 -0.28 -0.07 0.00 -0.47 0.00 0.00 55.73 54.87 2b2t s ARG 23 Cb -0.01 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.58 2b2t s ARG 23 CO -0.03 -0.25 0.06 0.96 -1.08 0.00 0.00 175.30 174.95 2b2t s ILE 24 N -2.66 4.04 0.16 4.99 -5.25 -1.25 0.27 121.20 121.49 2b2t s ILE 24 Ca 0.11 -0.43 -0.01 0.00 -0.99 0.00 0.00 60.65 59.33 2b2t s ILE 24 Cb 0.01 -2.96 -0.04 0.00 2.95 0.00 0.00 42.46 42.42 2b2t s ILE 24 CO -0.04 0.24 0.10 -0.83 -1.79 0.00 0.00 174.94 172.62 2b2t s GLY 25 N 1.55 1.13 0.22 6.27 0.00 0.10 -4.89 107.32 111.71 2b2t s GLY 25 Ca 0.05 -1.53 -0.28 0.00 0.00 0.00 0.00 44.72 42.96 2b2t s GLY 25 CO 0.02 -1.35 0.64 -2.13 0.00 0.00 0.00 173.10 170.28 2b2t n ARG 26 N -0.17 0.34 -2.07 2.90 0.63 -1.26 -1.80 116.66 115.24 2b2t n ARG 26 Ca -0.03 0.12 -0.42 0.00 -0.92 0.00 0.00 57.85 56.60 2b2t n ARG 26 Cb 0.64 -1.21 -0.03 0.00 0.45 0.00 0.00 32.46 32.32 2b2t n ARG 26 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2b2t s LYS 27 N -1.14 4.25 0.00 -0.14 1.02 -1.26 -2.34 119.74 120.13 2b2t s LYS 27 Ca 0.63 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.79 2b2t s LYS 27 Cb -0.87 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 32.98 2b2t s LYS 27 CO 0.57 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 2b2t n GLY 28 N 3.75 0.99 2.43 -3.33 0.00 -1.26 -4.82 105.19 102.95 2b2t n GLY 28 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2b2t n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b2t n ALA 29 N -1.54 7.06 -2.46 4.61 0.00 -0.99 -4.82 120.51 122.38 2b2t n ALA 29 Ca 0.00 -3.75 -0.09 0.00 0.00 0.00 0.00 53.44 49.60 2b2t n ALA 29 Cb 0.00 -3.22 -0.08 0.00 0.00 0.00 0.00 19.45 16.15 2b2t n ALA 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2b2t s THR 30 N 1.33 0.14 0.00 0.00 -4.23 -1.26 -4.80 115.64 106.82 2b2t s THR 30 Ca 0.62 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2b2t s THR 30 Cb 0.17 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.51 2b2t s THR 30 CO -0.07 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 2b2t n GLY 31 N -0.05 -1.79 0.32 3.99 0.00 -0.56 -4.47 105.19 102.64 2b2t n GLY 31 Ca -0.13 -1.78 0.15 0.00 0.00 0.00 0.00 46.02 44.26 2b2t n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b2t h ALA 32 N 0.00 1.56 0.00 4.61 0.00 -1.99 -0.95 119.26 122.50 2b2t h ALA 32 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2b2t h ALA 32 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2b2t h ALA 32 CO 0.00 -0.34 0.00 0.25 0.00 0.00 0.00 179.25 179.16 2b2t n THR 33 N -5.00 1.07 0.02 0.00 -2.24 -1.26 -1.75 114.28 105.12 2b2t n THR 33 Ca 0.24 0.27 0.09 0.00 -2.27 0.00 0.00 64.05 62.37 2b2t n THR 33 Cb 0.70 -1.22 0.19 0.00 -2.10 0.00 0.00 70.33 67.90 2b2t n THR 33 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2b2t n THR 34 N -1.30 0.70 -2.39 4.28 -2.24 -0.36 -4.15 114.28 108.83 2b2t n THR 34 Ca 0.01 -0.85 -0.36 0.00 -2.27 0.00 0.00 64.05 60.58 2b2t n THR 34 Cb 0.02 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 2b2t n THR 34 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2b2t s THR 35 N -1.13 3.41 0.41 4.28 -4.23 -0.72 -4.59 115.64 113.07 2b2t s THR 35 Ca 0.31 1.03 0.14 0.00 -1.18 0.00 0.00 61.69 61.99 2b2t s THR 35 Cb 0.17 -3.50 0.35 0.00 1.34 0.00 0.00 72.50 70.86 2b2t s THR 35 CO 0.23 -0.05 1.90 -0.29 -0.54 0.00 0.00 174.62 175.87 2b2t h ILE 36 N 1.89 0.78 0.00 2.99 -0.00 -1.78 -0.08 117.51 121.32 2b2t h ILE 36 Ca -0.49 -0.16 -0.12 0.00 -0.00 0.00 0.00 64.86 64.09 2b2t h ILE 36 Cb 1.23 0.27 -0.02 0.00 -0.00 0.00 0.00 36.82 38.30 2b2t h ILE 36 CO 0.60 0.09 -0.57 0.10 -0.00 0.00 0.00 178.15 178.37 2b2t h TYR 37 N 0.48 0.00 -0.05 2.19 -0.00 -1.91 -2.19 116.97 115.49 2b2t h TYR 37 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.89 2b2t h TYR 37 Cb 0.88 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.62 2b2t h TYR 37 CO -0.00 0.57 -0.95 0.00 -0.00 0.00 0.00 178.16 177.78 2b2t h ALA 38 N 1.43 0.22 -0.58 0.10 0.00 -1.49 -2.74 119.26 116.20 2b2t h ALA 38 Ca -0.01 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 2b2t h ALA 38 Cb 1.29 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2b2t h ALA 38 CO 0.07 0.70 0.07 0.28 0.00 0.00 0.00 179.25 180.37 2b2t h VAL 39 N 0.42 1.25 0.00 0.00 2.07 -1.00 0.36 116.25 119.36 2b2t h VAL 39 Ca -0.10 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 2b2t h VAL 39 Cb 1.59 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2b2t h VAL 39 CO 0.19 0.37 -0.30 -0.33 0.02 0.00 0.00 177.57 177.51 2b2t h GLU 40 N 0.90 0.00 0.07 1.57 5.08 -1.42 0.24 114.58 121.02 2b2t h GLU 40 Ca 0.18 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.17 2b2t h GLU 40 Cb 0.43 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2b2t h GLU 40 CO 0.01 0.30 -2.16 0.00 -1.00 0.00 0.00 179.01 176.16 2b2t n ALA 41 N -2.25 1.10 0.67 3.43 0.00 -0.98 -4.58 120.51 117.89 2b2t n ALA 41 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 53.44 52.72 2b2t n ALA 41 Cb 0.49 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 2b2t n ALA 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2b2t n ASP 42 N -3.47 1.32 0.00 0.00 8.00 0.12 -5.10 116.55 117.42 2b2t n ASP 42 Ca -0.38 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 53.96 2b2t n ASP 42 Cb 1.00 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.72 2b2t n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b2t n GLY 43 N 1.17 1.16 3.63 0.44 0.00 0.83 -4.95 105.19 107.48 2b2t n GLY 43 Ca 0.05 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 2b2t n GLY 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b2t s ASP 44 N -0.77 6.56 0.00 1.61 -1.08 -1.25 -4.36 116.67 117.37 2b2t s ASP 44 Ca 0.00 0.68 0.13 0.00 -0.52 0.00 0.00 52.55 52.84 2b2t s ASP 44 Cb 0.00 -2.32 0.63 0.00 -1.46 0.00 0.00 42.92 39.77 2b2t s ASP 44 CO 0.00 -0.32 1.36 -0.81 0.52 0.00 0.00 175.17 175.91 2b2t n PRO 45 N 5.50 0.13 0.00 4.34 -0.04 -1.26 -1.56 135.00 142.11 2b2t n PRO 45 Ca -0.02 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2b2t n PRO 45 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2b2t n PRO 45 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2b2t n ASN 46 N -1.35 0.83 0.00 3.54 5.15 -1.26 -4.70 115.26 117.47 2b2t n ASN 46 Ca 0.05 -0.76 0.00 0.00 -0.60 0.00 0.00 54.58 53.28 2b2t n ASN 46 Cb 0.12 0.90 0.00 0.00 -0.53 0.00 0.00 39.78 40.27 2b2t n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2b2t n ALA 47 N -1.56 0.00 -3.04 5.20 0.00 -0.60 -2.40 120.51 118.10 2b2t n ALA 47 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.04 2b2t n ALA 47 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2b2t n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b2t n GLY 48 N 0.00 4.52 3.82 0.00 0.00 -1.26 -5.02 105.19 107.25 2b2t n GLY 48 Ca 0.00 -2.48 -0.38 0.00 0.00 0.00 0.00 46.02 43.16 2b2t n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2b2t s PHE 49 N -1.24 3.70 0.00 1.61 2.19 -1.01 -5.06 117.98 118.17 2b2t s PHE 49 Ca 0.34 0.97 0.00 0.00 0.33 0.00 0.00 56.93 58.56 2b2t s PHE 49 Cb -0.01 -2.31 0.00 0.00 -1.31 0.00 0.00 43.02 39.39 2b2t s PHE 49 CO 0.01 0.59 0.00 0.39 1.83 0.00 0.00 175.22 178.04 2b2t n GLU 50 N 2.03 0.00 -1.27 10.12 1.02 -1.26 -5.04 120.64 126.24 2b2t n GLU 50 Ca -0.13 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.69 2b2t n GLU 50 Cb 0.52 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.04 2b2t n GLU 50 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2b2t n LYS 51 N 0.00 2.53 -0.04 3.49 4.01 -1.26 -3.87 118.16 123.02 2b2t n LYS 51 Ca 0.00 -3.10 0.12 0.00 -0.51 0.00 0.00 58.31 54.82 2b2t n LYS 51 Cb 0.00 -2.22 0.49 0.00 -0.51 0.00 0.00 35.03 32.80 2b2t n LYS 51 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2b2t n ASN 52 N -0.88 1.25 -3.73 4.39 3.02 -1.26 -4.82 115.26 113.22 2b2t n ASN 52 Ca 0.60 -1.54 -0.14 0.00 -0.03 0.00 0.00 54.58 53.47 2b2t n ASN 52 Cb 0.87 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.90 2b2t n ASN 52 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2b2t s LYS 53 N -1.90 0.60 -0.36 3.52 -2.85 -1.25 -5.08 119.74 112.42 2b2t s LYS 53 Ca 0.35 0.20 0.01 0.00 -1.00 0.00 0.00 55.97 55.53 2b2t s LYS 53 Cb 0.18 0.28 0.11 0.00 -2.06 0.00 0.00 37.83 36.34 2b2t s LYS 53 CO 0.29 -0.13 0.13 -1.21 0.10 0.00 0.00 175.35 174.52 2b2t s GLU 54 N -0.57 1.12 -0.15 1.78 8.01 -1.26 -3.95 118.70 123.67 2b2t s GLU 54 Ca -0.07 -1.59 -0.01 0.00 0.01 0.00 0.00 54.97 53.31 2b2t s GLU 54 Cb -0.04 -2.47 -0.05 0.00 -4.31 0.00 0.00 34.13 27.26 2b2t s GLU 54 CO 0.03 -1.02 0.64 -0.35 0.01 0.00 0.00 175.26 174.57 2b2t n PRO 55 N 4.29 0.00 -3.82 0.39 -0.04 -1.26 -4.92 135.00 129.64 2b2t n PRO 55 Ca 0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.18 2b2t n PRO 55 Cb 0.40 -0.47 -0.14 0.00 -0.04 0.00 0.00 33.50 33.25 2b2t n PRO 55 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2b2t s GLY 56 N 0.00 1.68 0.04 0.55 0.00 -1.25 -4.14 107.32 104.20 2b2t s GLY 56 Ca 0.20 -2.44 0.08 0.00 0.00 0.00 0.00 44.72 42.57 2b2t s GLY 56 CO 0.09 1.36 -0.23 -0.54 0.00 0.00 0.00 173.10 173.78 2b2t s GLU 57 N 0.71 1.53 -0.29 2.90 2.02 -0.74 -4.94 118.70 119.89 2b2t s GLU 57 Ca 0.14 -1.00 -0.18 0.00 0.02 0.00 0.00 54.97 53.95 2b2t s GLU 57 Cb -0.22 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 2b2t s GLU 57 CO -0.08 0.43 0.51 -1.50 0.02 0.00 0.00 175.26 174.63 2b2t s ILE 58 N -0.80 5.05 0.21 -1.63 2.07 -1.26 0.00 121.20 124.85 2b2t s ILE 58 Ca 0.09 0.69 0.10 0.00 -1.41 0.00 0.00 60.65 60.12 2b2t s ILE 58 Cb -0.09 -3.87 -0.04 0.00 0.13 0.00 0.00 42.46 38.59 2b2t s ILE 58 CO 0.02 -0.01 -0.15 -1.10 -1.91 0.00 0.00 174.94 171.78 2b2t s GLN 59 N 2.33 1.84 -0.09 3.50 -0.21 0.14 -4.75 119.66 122.43 2b2t s GLN 59 Ca 0.20 -1.44 0.04 0.00 0.02 0.00 0.00 55.36 54.18 2b2t s GLN 59 Cb -0.15 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.86 2b2t s GLN 59 CO 0.11 0.40 -0.22 0.71 -2.12 0.00 0.00 175.29 174.17 2b2t s TYR 60 N -1.86 2.33 -0.54 0.91 2.02 0.14 -1.65 117.35 118.70 2b2t s TYR 60 Ca 0.25 -0.90 -0.28 0.00 -0.37 0.00 0.00 57.07 55.77 2b2t s TYR 60 Cb -0.08 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.93 2b2t s TYR 60 CO 0.14 -0.36 1.34 -1.17 -1.57 0.00 0.00 175.55 173.93 2b2t s LEU 61 N 0.30 3.45 -0.14 -1.29 2.96 -0.91 -0.84 118.68 122.22 2b2t s LEU 61 Ca -0.15 0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 53.98 2b2t s LEU 61 Cb -0.17 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.31 2b2t s LEU 61 CO 0.07 -1.59 0.19 -0.63 -1.32 0.00 0.00 176.35 173.06 2b2t s ILE 62 N 5.62 5.40 -0.42 6.68 1.01 0.58 -3.41 121.20 136.66 2b2t s ILE 62 Ca 0.51 0.32 -0.13 0.00 0.00 0.00 0.00 60.65 61.34 2b2t s ILE 62 Cb -0.10 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 38.93 2b2t s ILE 62 CO 0.26 0.53 0.30 -0.75 0.00 0.00 0.00 174.94 175.28 2b2t s LYS 63 N -0.40 2.89 0.60 2.79 2.47 -0.42 -2.30 119.74 125.36 2b2t s LYS 63 Ca 0.14 -1.18 -0.15 0.00 -1.56 0.00 0.00 55.97 53.22 2b2t s LYS 63 Cb -0.12 -3.93 -0.04 0.00 -1.46 0.00 0.00 37.83 32.28 2b2t s LYS 63 CO 0.03 -0.84 1.04 -1.58 0.16 0.00 0.00 175.35 174.17 2b2t s TRP 64 N 1.60 3.10 -0.11 4.03 0.52 -1.26 -1.75 118.94 125.08 2b2t s TRP 64 Ca 0.04 1.48 -0.30 0.00 0.02 0.00 0.00 56.10 57.34 2b2t s TRP 64 Cb -0.21 -2.94 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 2b2t s TRP 64 CO 0.07 -0.99 1.15 0.21 0.02 0.00 0.00 176.95 177.41 2b2t s LYS 65 N -4.25 4.33 0.00 4.98 2.20 0.05 -3.26 119.74 123.79 2b2t s LYS 65 Ca 0.62 1.57 0.00 0.00 -0.36 0.00 0.00 55.97 57.79 2b2t s LYS 65 Cb -0.15 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2b2t s LYS 65 CO 0.39 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2b2t n GLY 66 N 3.35 0.73 2.88 5.54 0.00 -1.26 -4.72 105.19 111.71 2b2t n GLY 66 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2b2t n GLY 66 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2b2t s TRP 67 N -2.07 0.08 0.92 1.61 0.52 -1.20 -5.15 118.94 113.65 2b2t s TRP 67 Ca 0.00 -0.01 -0.12 0.00 0.02 0.00 0.00 56.10 55.99 2b2t s TRP 67 Cb 0.00 -0.06 0.14 0.00 -1.15 0.00 0.00 33.47 32.40 2b2t s TRP 67 CO 0.00 -0.01 1.09 -1.54 0.02 0.00 0.00 176.95 176.51 2b2t s SER 68 N 0.05 3.27 0.63 2.95 1.04 -1.26 -4.56 113.70 115.81 2b2t s SER 68 Ca -0.00 1.42 0.31 0.00 0.48 0.00 0.00 55.95 58.16 2b2t s SER 68 Cb -0.01 -2.09 1.72 0.00 0.10 0.00 0.00 66.02 65.73 2b2t s SER 68 CO -0.00 -2.76 2.03 0.45 0.98 0.00 0.00 173.24 173.94 2b2t h HIS 69 N -1.63 0.00 0.00 5.02 3.86 -1.99 -0.69 115.15 119.72 2b2t h HIS 69 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 2b2t h HIS 69 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2b2t h HIS 69 CO 0.39 0.00 0.00 -0.84 0.86 0.00 0.00 177.93 178.34 2b2t h ILE 70 N 0.00 0.00 -0.02 2.45 3.07 -2.01 -1.67 117.51 119.34 2b2t h ILE 70 Ca 0.07 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 66.17 2b2t h ILE 70 Cb 0.62 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2b2t h ILE 70 CO -0.00 0.00 -0.03 1.41 -1.05 0.00 0.00 178.15 178.48 2b2t n HIS 71 N -3.07 0.00 -1.88 0.16 8.25 -0.26 -3.60 115.22 114.82 2b2t n HIS 71 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2b2t n HIS 71 Cb 0.21 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 2b2t n HIS 71 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2b2t s ASN 72 N -2.05 6.49 0.17 0.41 0.01 -0.63 -4.84 114.94 114.51 2b2t s ASN 72 Ca 0.36 2.82 0.07 0.00 -0.71 0.00 0.00 52.86 55.40 2b2t s ASN 72 Cb 0.21 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 2b2t s ASN 72 CO 0.35 -0.83 -0.15 0.42 -1.51 0.00 0.00 177.10 175.39 2b2t s THR 73 N 0.08 1.61 -0.13 1.60 -4.23 -0.97 -4.34 115.64 109.26 2b2t s THR 73 Ca 0.62 -2.02 -0.22 0.00 -1.18 0.00 0.00 61.69 58.90 2b2t s THR 73 Cb -0.45 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 2b2t s THR 73 CO 0.45 -0.50 0.66 0.26 -0.54 0.00 0.00 174.62 174.94 2b2t s TRP 74 N -2.60 3.49 0.34 3.99 0.52 -1.26 -0.31 118.94 123.11 2b2t s TRP 74 Ca 0.17 1.09 0.03 0.00 0.02 0.00 0.00 56.10 57.42 2b2t s TRP 74 Cb -0.03 -2.78 -0.05 0.00 -1.15 0.00 0.00 33.47 29.46 2b2t s TRP 74 CO 0.05 -0.02 0.08 -1.21 0.02 0.00 0.00 176.95 175.88 2b2t s GLU 75 N 1.26 1.71 0.26 4.98 0.41 -0.02 -1.49 118.70 125.82 2b2t s GLU 75 Ca 0.33 -1.98 0.03 0.00 -0.41 0.00 0.00 54.97 52.94 2b2t s GLU 75 Cb -0.17 -0.75 -0.05 0.00 -1.78 0.00 0.00 34.13 31.38 2b2t s GLU 75 CO 0.14 -0.28 0.05 0.99 -0.49 0.00 0.00 175.26 175.66 2b2t s THR 76 N -3.32 0.91 0.07 3.63 2.01 -1.26 0.27 115.64 117.95 2b2t s THR 76 Ca 0.33 -2.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.02 2b2t s THR 76 Cb 0.07 -2.56 -0.18 0.00 0.01 0.00 0.00 72.50 69.85 2b2t s THR 76 CO 0.15 -0.14 1.61 -0.33 -0.69 0.00 0.00 174.62 175.23 2b2t h GLU 77 N 2.35 -0.56 -0.75 4.92 5.08 -1.98 1.11 114.58 124.77 2b2t h GLU 77 Ca -0.39 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.11 2b2t h GLU 77 Cb 1.24 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 2b2t h GLU 77 CO 0.65 -0.35 0.39 1.49 -1.00 0.00 0.00 179.01 180.19 2b2t h GLU 78 N -0.62 0.63 0.15 2.33 4.22 -1.98 1.10 114.58 120.41 2b2t h GLU 78 Ca -0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.34 2b2t h GLU 78 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2b2t h GLU 78 CO 0.10 0.42 -0.11 1.79 -2.18 0.00 0.00 179.01 179.02 2b2t h THR 79 N 0.65 0.76 -0.21 0.32 1.35 -1.88 2.78 112.91 116.67 2b2t h THR 79 Ca 0.37 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.24 2b2t h THR 79 Cb 0.39 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 2b2t h THR 79 CO -0.27 0.00 0.12 0.25 -0.25 0.00 0.00 175.52 175.37 2b2t h LEU 80 N -0.27 0.19 0.51 3.87 5.85 0.24 -2.71 115.31 122.99 2b2t h LEU 80 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2b2t h LEU 80 Cb 0.24 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2b2t h LEU 80 CO -0.00 0.14 -0.24 0.11 -0.34 0.00 0.00 178.44 178.11 2b2t h LYS 81 N 0.25 -0.65 -1.30 1.25 1.57 0.16 -2.82 116.57 115.02 2b2t h LYS 81 Ca 0.08 0.04 0.47 0.00 -1.87 0.00 0.00 60.65 59.37 2b2t h LYS 81 Cb -0.00 0.15 -0.15 0.00 0.08 0.00 0.00 32.23 32.31 2b2t h LYS 81 CO -0.04 -0.39 0.82 0.37 -0.57 0.00 0.00 179.45 179.64 2b2t h GLN 82 N -0.79 0.01 0.00 3.15 4.15 0.50 0.93 115.11 123.06 2b2t h GLN 82 Ca -0.07 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2b2t h GLN 82 Cb 0.57 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2b2t h GLN 82 CO 0.11 0.00 -0.58 1.96 -1.93 0.00 0.00 178.83 178.40 2b2t h GLN 83 N 0.01 0.00 -2.79 1.69 4.20 -1.33 -3.48 115.11 113.40 2b2t h GLN 83 Ca 0.88 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 59.40 2b2t h GLN 83 Cb 2.72 0.00 0.05 0.00 0.30 0.00 0.00 27.48 30.54 2b2t h GLN 83 CO -0.53 0.00 -0.30 0.09 -0.67 0.00 0.00 178.83 177.41 2b2t n ASN 84 N -2.57 -3.88 -4.72 1.46 3.02 0.32 -4.84 115.26 104.05 2b2t n ASN 84 Ca 0.02 -0.19 -0.33 0.00 -0.03 0.00 0.00 54.58 54.06 2b2t n ASN 84 Cb 0.50 -2.63 0.10 0.00 -0.61 0.00 0.00 39.78 37.15 2b2t n ASN 84 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2b2t s VAL 85 N -2.98 2.56 0.50 2.41 -7.23 -1.21 -4.73 120.40 109.72 2b2t s VAL 85 Ca 0.20 0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 60.59 2b2t s VAL 85 Cb -0.09 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.22 2b2t s VAL 85 CO 0.25 -0.19 0.75 -0.13 -0.31 0.00 0.00 175.10 175.47 2b2t s ARG 86 N -4.30 2.94 0.00 4.82 1.81 -0.25 -4.97 118.95 119.01 2b2t s ARG 86 Ca 0.69 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 54.29 2b2t s ARG 86 Cb -0.24 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 2b2t s ARG 86 CO 0.50 -0.45 0.00 0.41 -0.68 0.00 0.00 175.30 175.07 2b2t n GLY 87 N -2.25 -2.42 4.59 -3.53 0.00 -1.26 -2.13 105.19 98.18 2b2t n GLY 87 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2b2t n GLY 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b2t n LYS 89 N 0.15 0.00 0.00 1.61 3.00 -1.26 -3.89 118.16 117.78 2b2t n LYS 89 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.38 2b2t n LYS 89 Cb 0.00 -0.14 0.37 0.00 0.00 0.00 0.00 35.03 35.25 2b2t n LYS 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2b2t n LYS 90 N 0.00 0.25 0.00 1.64 2.85 -1.26 -2.34 118.16 119.30 2b2t n LYS 90 Ca 0.00 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 2b2t n LYS 90 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 2b2t n LYS 90 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2b2t n LEU 91 N -1.23 0.19 0.21 -5.58 0.00 -1.25 -2.03 117.00 107.31 2b2t n LEU 91 Ca 0.07 0.61 0.17 0.00 0.00 0.00 0.00 56.01 56.87 2b2t n LEU 91 Cb 0.10 -0.45 0.85 0.00 0.00 0.00 0.00 43.42 43.91 2b2t n LEU 91 CO 0.10 -0.45 1.15 -2.24 0.00 0.00 0.00 177.39 175.95 2b2t h ASP 92 N 0.00 0.00 -0.32 1.96 3.04 -1.94 0.55 116.42 119.71 2b2t h ASP 92 Ca 0.00 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.70 2b2t h ASP 92 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 2b2t h ASP 92 CO 0.00 0.00 -0.11 0.78 -2.04 0.00 0.00 179.24 177.87 2b2t h ASN 93 N 0.00 0.73 1.27 4.15 4.21 -1.53 -2.52 115.58 121.89 2b2t h ASN 93 Ca 0.08 -0.21 -0.15 0.00 1.21 0.00 0.00 56.30 57.23 2b2t h ASN 93 Cb 0.50 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 2b2t h ASN 93 CO -0.00 0.87 -0.70 0.22 -1.29 0.00 0.00 177.43 176.53 2b2t h TYR 94 N 0.68 0.00 0.00 1.19 3.20 0.60 -3.33 116.97 119.31 2b2t h TYR 94 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2b2t h TYR 94 Cb 0.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.84 2b2t h TYR 94 CO 0.03 0.70 0.00 1.63 -1.64 0.00 0.00 178.16 178.88 2b2t n LYS 95 N -3.29 0.50 0.00 1.82 5.02 0.18 -2.34 118.16 120.05 2b2t n LYS 95 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2b2t n LYS 95 Cb 0.81 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 2b2t n LYS 95 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2b2t n LYS 96 N 0.49 0.00 0.00 1.97 4.01 -1.26 -5.02 118.16 118.35 2b2t n LYS 96 Ca 0.00 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.88 2b2t n LYS 96 Cb 0.18 -0.29 0.47 0.00 -0.51 0.00 0.00 35.03 34.88 2b2t n LYS 96 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46