#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kps n LYS 2 N 0.00 -1.73 -0.17 0.03 3.00 -1.26 -4.83 118.16 113.20 2kps n LYS 2 Ca 0.00 0.96 0.04 0.00 -0.00 0.00 0.00 58.31 59.31 2kps n LYS 2 Cb 0.00 -5.56 0.12 0.00 0.00 0.00 0.00 35.03 29.59 2kps n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2kps n THR 3 N -3.59 0.47 0.00 3.15 -2.24 -1.26 -4.87 114.28 105.94 2kps n THR 3 Ca -0.22 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2kps n THR 3 Cb 0.66 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2kps n THR 3 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kps n LEU 4 N 0.29 0.00 -1.81 3.22 4.77 -1.26 -4.18 117.00 118.03 2kps n LEU 4 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 2kps n LEU 4 Cb 0.29 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2kps n LEU 4 CO 0.07 -0.32 -0.14 -1.22 -1.33 0.00 0.00 177.39 174.44 2kps n TYR 5 N -0.65 -0.77 -0.14 -1.77 4.01 -1.26 -4.81 117.16 111.77 2kps n TYR 5 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2kps n TYR 5 Cb 0.00 -2.70 0.13 0.00 -0.31 0.00 0.00 39.34 36.46 2kps n TYR 5 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2kps h ASP 6 N 0.00 0.84 -2.80 7.72 3.32 -1.90 -3.33 116.42 120.27 2kps h ASP 6 Ca -0.29 -0.20 -0.61 0.00 0.02 0.00 0.00 57.03 55.95 2kps h ASP 6 Cb 1.01 -0.22 -0.41 0.00 0.22 0.00 0.00 39.33 39.93 2kps h ASP 6 CO 0.39 0.88 -0.67 0.18 -1.72 0.00 0.00 179.24 178.30 2kps n LEU 7 N -4.22 2.36 -4.57 1.55 4.77 -1.26 -4.95 117.00 110.68 2kps n LEU 7 Ca 0.03 -5.07 -0.43 0.00 -0.03 0.00 0.00 56.01 50.52 2kps n LEU 7 Cb 0.30 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 2kps n LEU 7 CO 0.42 1.83 0.87 -2.16 -1.33 0.00 0.00 177.39 177.02 2kps s PRO 8 N -1.30 3.52 0.42 3.23 0.04 -1.25 -4.61 135.00 135.03 2kps s PRO 8 Ca 0.29 0.16 -0.06 0.00 0.04 0.00 0.00 61.00 61.43 2kps s PRO 8 Cb 0.01 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.53 2kps s PRO 8 CO -0.15 -1.41 0.72 0.42 0.04 0.00 0.00 177.00 176.61 2kps s ILE 9 N 4.19 4.92 -0.08 0.56 1.09 -1.26 -4.98 121.20 125.65 2kps s ILE 9 Ca 0.39 0.20 0.00 0.00 -1.10 0.00 0.00 60.65 60.14 2kps s ILE 9 Cb -0.09 -3.81 -0.03 0.00 -1.06 0.00 0.00 42.46 37.46 2kps s ILE 9 CO 0.26 -0.65 -0.07 -0.69 -0.10 0.00 0.00 174.94 173.69 2kps s VAL 10 N -2.50 3.70 0.20 2.92 1.01 -1.26 -4.86 120.40 119.62 2kps s VAL 10 Ca 0.47 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 62.08 2kps s VAL 10 Cb -0.10 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2kps s VAL 10 CO 0.38 0.59 -0.22 -0.76 0.00 0.00 0.00 175.10 175.10 2kps s LEU 11 N -0.71 2.47 0.00 3.92 1.43 -1.26 -3.48 118.68 121.05 2kps s LEU 11 Ca 0.11 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2kps s LEU 11 Cb -0.11 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.05 2kps s LEU 11 CO 0.02 0.06 0.00 -2.11 0.23 0.00 0.00 176.35 174.54 2kps n ARG 12 N 0.10 0.00 0.00 1.70 1.85 -1.26 -4.93 116.66 114.12 2kps n ARG 12 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 2kps n ARG 12 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 2kps n ARG 12 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2kps n ASN 13 N -1.52 0.00 -4.66 2.89 4.13 -1.26 -4.59 115.26 110.24 2kps n ASN 13 Ca 0.00 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.85 2kps n ASN 13 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 2kps n ASN 13 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kps s LEU 14 N -0.36 4.16 0.62 3.41 1.43 -1.26 -4.16 118.68 122.52 2kps s LEU 14 Ca 0.00 0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 53.91 2kps s LEU 14 Cb 0.00 -3.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.08 2kps s LEU 14 CO 0.00 -0.33 0.21 -2.65 0.23 0.00 0.00 176.35 173.82 2kps n PRO 15 N 5.11 0.25 0.31 1.29 -0.02 -1.26 -4.80 135.00 135.88 2kps n PRO 15 Ca 0.01 0.11 0.20 0.00 -2.02 0.00 0.00 63.50 61.80 2kps n PRO 15 Cb 0.49 -1.45 0.97 0.00 -0.02 0.00 0.00 33.50 33.49 2kps n PRO 15 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kps h GLU 16 N -0.09 0.00 -0.10 -0.52 4.39 -1.96 -0.69 114.58 115.62 2kps h GLU 16 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2kps h GLU 16 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2kps h GLU 16 CO 0.42 0.01 0.00 -0.25 -1.16 0.00 0.00 179.01 178.03 2kps n ASP 17 N -3.13 2.71 -4.20 1.42 8.00 -1.26 -4.87 116.55 115.21 2kps n ASP 17 Ca -0.01 -1.88 -0.18 0.00 0.71 0.00 0.00 54.79 53.42 2kps n ASP 17 Cb 0.18 -0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.11 2kps n ASP 17 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kps s LEU 18 N -1.88 2.34 0.15 0.64 2.96 -0.27 -1.00 118.68 121.62 2kps s LEU 18 Ca 0.32 -0.71 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 2kps s LEU 18 Cb 0.21 -0.52 -0.02 0.00 0.50 0.00 0.00 46.19 46.36 2kps s LEU 18 CO 0.31 -0.11 0.22 0.68 -1.32 0.00 0.00 176.35 176.12 2kps s VAL 19 N -1.69 0.08 -0.09 1.68 -7.23 -1.06 -4.34 120.40 107.74 2kps s VAL 19 Ca 0.03 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2kps s VAL 19 Cb -0.07 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 2kps s VAL 19 CO 0.02 -0.36 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.14 2kps s LEU 20 N -2.98 3.02 0.39 1.32 2.96 -1.26 -2.71 118.68 119.42 2kps s LEU 20 Ca 0.18 -0.13 0.23 0.00 -0.22 0.00 0.00 54.13 54.19 2kps s LEU 20 Cb 0.04 -1.66 1.30 0.00 0.50 0.00 0.00 46.19 46.37 2kps s LEU 20 CO -0.00 0.29 1.63 -0.33 -1.32 0.00 0.00 176.35 176.62 2kps h GLU 21 N 5.77 0.14 0.00 1.98 4.39 -1.94 -3.44 114.58 121.48 2kps h GLU 21 Ca -0.41 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2kps h GLU 21 Cb 1.18 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2kps h GLU 21 CO 0.54 0.09 0.00 1.63 -1.16 0.00 0.00 179.01 180.12 2kps n LYS 22 N -4.94 0.00 0.00 2.33 5.02 -1.26 -4.98 118.16 114.33 2kps n LYS 22 Ca 0.35 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 2kps n LYS 22 Cb 1.25 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.26 2kps n LYS 22 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2kps n PRO 23 N -0.11 0.00 -2.95 1.97 -0.02 -1.26 -4.87 135.00 127.75 2kps n PRO 23 Ca 0.00 0.25 -0.24 0.00 -2.02 0.00 0.00 63.50 61.49 2kps n PRO 23 Cb 0.00 -1.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 2kps n PRO 23 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2kps n LEU 24 N -1.24 -1.51 -3.13 2.45 -0.00 -1.26 -4.46 117.00 107.85 2kps n LEU 24 Ca 0.00 -0.31 -0.03 0.00 -0.00 0.00 0.00 56.01 55.67 2kps n LEU 24 Cb 0.01 -1.08 -0.01 0.00 -0.00 0.00 0.00 43.42 42.34 2kps n LEU 24 CO 0.00 0.11 0.86 -0.81 -0.00 0.00 0.00 177.39 177.54 2kps n PRO 25 N -0.78 0.00 -3.51 1.47 -0.04 -1.26 -4.76 135.00 126.13 2kps n PRO 25 Ca -0.12 -0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 62.48 2kps n PRO 25 Cb 0.47 -1.85 -0.09 0.00 -0.04 0.00 0.00 33.50 31.99 2kps n PRO 25 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2kps s GLU 26 N 4.43 2.83 -0.23 0.54 2.02 -1.26 -4.75 118.70 122.28 2kps s GLU 26 Ca 0.05 -1.28 -0.18 0.00 0.02 0.00 0.00 54.97 53.57 2kps s GLU 26 Cb 0.01 -3.92 0.06 0.00 0.10 0.00 0.00 34.13 30.38 2kps s GLU 26 CO 0.02 -0.90 0.59 0.08 0.02 0.00 0.00 175.26 175.07 2kps s VAL 27 N 1.56 -0.00 -0.20 2.63 1.01 -1.26 -4.88 120.40 119.26 2kps s VAL 27 Ca 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2kps s VAL 27 Cb -0.22 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 35.39 2kps s VAL 27 CO 0.06 0.00 0.05 -0.55 0.00 0.00 0.00 175.10 174.67 2kps s SER 28 N 0.69 2.91 0.18 3.32 0.15 -1.26 -5.05 113.70 114.64 2kps s SER 28 Ca -0.03 -0.86 0.05 0.00 0.70 0.00 0.00 55.95 55.81 2kps s SER 28 Cb -0.05 -0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 2kps s SER 28 CO -0.05 -0.33 0.14 0.68 1.20 0.00 0.00 173.24 174.89 2kps s VAL 29 N 1.90 4.47 -0.01 4.45 -7.23 -1.26 -4.53 120.40 118.19 2kps s VAL 29 Ca 0.01 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 2kps s VAL 29 Cb -0.17 -3.30 0.02 0.00 0.56 0.00 0.00 36.38 33.49 2kps s VAL 29 CO -0.11 -0.15 0.78 0.41 -0.31 0.00 0.00 175.10 175.73 2kps n THR 30 N -0.49 0.53 -3.75 5.32 -1.04 -1.26 -5.07 114.28 108.52 2kps n THR 30 Ca -0.08 -0.55 -0.33 0.00 -2.04 0.00 0.00 64.05 61.04 2kps n THR 30 Cb 0.55 0.67 -0.05 0.00 -1.82 0.00 0.00 70.33 69.69 2kps n THR 30 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2kps s ILE 31 N -0.60 5.27 -0.05 12.58 1.09 -1.26 -4.93 121.20 133.30 2kps s ILE 31 Ca 0.02 0.05 -0.01 0.00 -1.10 0.00 0.00 60.65 59.61 2kps s ILE 31 Cb 0.02 -3.60 0.03 0.00 -1.06 0.00 0.00 42.46 37.85 2kps s ILE 31 CO 0.00 0.23 0.01 -0.13 -0.10 0.00 0.00 174.94 174.95 2kps s ARG 32 N -2.16 0.39 0.00 2.79 0.52 -1.26 -5.11 118.95 114.12 2kps s ARG 32 Ca 0.33 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 2kps s ARG 32 Cb -0.13 -0.71 0.00 0.00 0.52 0.00 0.00 34.95 34.63 2kps s ARG 32 CO 0.21 -0.24 0.00 0.00 0.02 0.00 0.00 175.30 175.29 2kps n ALA 33 N 4.77 0.00 -2.31 2.13 0.00 -1.26 -4.89 120.51 118.95 2kps n ALA 33 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 2kps n ALA 33 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 2kps n ALA 33 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kps s TYR 34 N 0.24 3.39 0.43 0.00 1.51 -1.26 -4.91 117.35 116.75 2kps s TYR 34 Ca 0.00 1.23 0.26 0.00 -1.01 0.00 0.00 57.07 57.55 2kps s TYR 34 Cb 0.00 -3.49 1.30 0.00 -0.11 0.00 0.00 41.96 39.66 2kps s TYR 34 CO 0.00 -1.55 1.70 -1.35 -1.11 0.00 0.00 175.55 173.24 2kps h PRO 35 N 6.60 0.20 0.12 -1.71 0.11 -1.97 -0.06 132.00 135.30 2kps h PRO 35 Ca -0.42 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2kps h PRO 35 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kps h PRO 35 CO 0.82 0.13 -0.06 0.93 -0.21 0.00 0.00 178.00 179.61 2kps h GLU 36 N 0.21 -0.15 0.00 1.05 4.39 -1.99 0.81 114.58 118.89 2kps h GLU 36 Ca 0.71 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.38 2kps h GLU 36 Cb 2.12 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.80 2kps h GLU 36 CO -0.33 -0.00 -0.18 0.82 -1.16 0.00 0.00 179.01 178.16 2kps h ILE 37 N -0.28 0.50 0.00 3.13 2.04 -1.45 -2.80 117.51 118.65 2kps h ILE 37 Ca -0.02 -0.91 -0.17 0.00 1.00 0.00 0.00 64.86 64.77 2kps h ILE 37 Cb 0.22 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 2kps h ILE 37 CO 0.03 0.17 -1.19 -0.07 0.00 0.00 0.00 178.15 177.09 2kps h LEU 38 N 0.00 0.00 -1.32 1.44 3.38 -0.79 -3.16 115.31 114.86 2kps h LEU 38 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2kps h LEU 38 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2kps h LEU 38 CO 0.02 0.63 -0.04 -1.13 0.09 0.00 0.00 178.44 178.02 2kps h ASN 39 N 0.00 0.39 -0.33 -0.43 -0.73 0.91 -2.71 115.58 112.68 2kps h ASN 39 Ca -0.12 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 57.94 2kps h ASN 39 Cb 1.59 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 40.06 2kps h ASN 39 CO 0.06 0.48 0.01 -0.46 -0.37 0.00 0.00 177.43 177.15 2kps n ASN 40 N -4.29 3.98 -4.55 1.15 0.23 -1.22 -4.98 115.26 105.58 2kps n ASN 40 Ca 0.01 -3.10 -0.34 0.00 -0.53 0.00 0.00 54.58 50.62 2kps n ASN 40 Cb 0.24 -0.58 -0.12 0.00 -2.08 0.00 0.00 39.78 37.24 2kps n ASN 40 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2kps s LEU 41 N -2.88 3.18 -0.04 -4.53 0.20 -1.02 -5.08 118.68 108.49 2kps s LEU 41 Ca 0.45 -0.07 0.07 0.00 0.69 0.00 0.00 54.13 55.27 2kps s LEU 41 Cb 0.36 -1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 44.40 2kps s LEU 41 CO 0.09 0.30 -0.25 0.28 -0.29 0.00 0.00 176.35 176.48 2kps s THR 42 N -0.41 2.00 0.57 3.68 -1.32 -1.26 -4.96 115.64 113.93 2kps s THR 42 Ca 0.06 -1.05 0.44 0.00 -1.21 0.00 0.00 61.69 59.93 2kps s THR 42 Cb -0.12 -1.68 0.64 0.00 -1.51 0.00 0.00 72.50 69.83 2kps s THR 42 CO 0.02 0.56 1.53 0.11 -2.21 0.00 0.00 174.62 174.63 2kps h LYS 43 N 5.89 0.00 0.00 7.08 1.79 -1.97 2.21 116.57 131.57 2kps h LYS 43 Ca -0.35 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 2kps h LYS 43 Cb 1.16 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2kps h LYS 43 CO 0.47 0.00 -0.03 0.93 -1.08 0.00 0.00 179.45 179.74 2kps h GLU 44 N 0.00 0.00 0.24 3.15 5.08 -1.94 -2.68 114.58 118.42 2kps h GLU 44 Ca 0.80 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.83 2kps h GLU 44 Cb 3.44 0.00 0.03 0.00 0.50 0.00 0.00 28.75 32.72 2kps h GLU 44 CO -0.01 0.03 -1.47 0.37 -1.00 0.00 0.00 179.01 176.94 2kps h GLN 45 N 0.00 0.50 -6.19 2.33 5.75 0.33 -3.45 115.11 114.37 2kps h GLN 45 Ca -0.00 -0.85 -0.70 0.00 -0.15 0.00 0.00 58.65 56.95 2kps h GLN 45 Cb 0.22 0.32 0.02 0.00 1.07 0.00 0.00 27.48 29.11 2kps h GLN 45 CO 0.00 1.41 0.93 -0.89 -2.65 0.00 0.00 178.83 177.63 2kps n ILE 46 N -3.68 0.36 -3.30 2.39 2.08 -1.01 -4.91 119.36 111.28 2kps n ILE 46 Ca -0.16 -0.06 -0.40 0.00 0.56 0.00 0.00 62.75 62.69 2kps n ILE 46 Cb 1.09 -1.38 -0.08 0.00 -0.75 0.00 0.00 39.64 38.52 2kps n ILE 46 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2kps s SER 47 N 3.47 6.36 0.00 4.38 0.01 -0.89 -5.02 113.70 122.01 2kps s SER 47 Ca 0.96 0.43 0.03 0.00 1.31 0.00 0.00 55.95 58.67 2kps s SER 47 Cb -0.96 -2.25 -0.01 0.00 0.21 0.00 0.00 66.02 63.01 2kps s SER 47 CO 0.60 -0.24 -0.09 -0.76 0.41 0.00 0.00 173.24 173.16 2kps s LEU 48 N 2.21 2.06 -0.28 2.44 1.43 -1.26 -0.21 118.68 125.07 2kps s LEU 48 Ca 0.19 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 52.86 2kps s LEU 48 Cb -0.16 -0.44 0.10 0.00 0.03 0.00 0.00 46.19 45.72 2kps s LEU 48 CO 0.09 0.07 0.79 0.86 0.23 0.00 0.00 176.35 178.39 2kps s TRP 49 N -0.41 -0.84 -0.18 0.29 -0.00 -1.24 -4.04 118.94 112.52 2kps s TRP 49 Ca 0.02 1.78 -0.08 0.00 -0.00 0.00 0.00 56.10 57.82 2kps s TRP 49 Cb -0.05 0.46 -0.04 0.00 -0.00 0.00 0.00 33.47 33.85 2kps s TRP 49 CO -0.00 -0.41 0.06 0.42 -0.00 0.00 0.00 176.95 177.02 2kps s ILE 50 N 1.13 4.82 -0.67 5.86 1.01 -1.23 -1.60 121.20 130.52 2kps s ILE 50 Ca -0.06 -0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 2kps s ILE 50 Cb -0.05 -3.17 0.14 0.00 0.01 0.00 0.00 42.46 39.40 2kps s ILE 50 CO -0.13 0.46 0.70 1.51 0.00 0.00 0.00 174.94 177.49 2kps s ASP 51 N 0.35 6.38 -0.09 3.58 -4.77 -1.26 -4.55 116.67 116.31 2kps s ASP 51 Ca 0.03 -1.93 -0.00 0.00 -3.30 0.00 0.00 52.55 47.35 2kps s ASP 51 Cb -0.12 -2.26 0.07 0.00 -1.09 0.00 0.00 42.92 39.52 2kps s ASP 51 CO -0.00 -0.89 1.84 0.00 0.70 0.00 0.00 175.17 176.82 2kps n ALA 52 N 5.41 4.07 -1.80 2.11 0.00 -1.26 -4.89 120.51 124.15 2kps n ALA 52 Ca -0.01 -0.48 -0.34 0.00 0.00 0.00 0.00 53.44 52.60 2kps n ALA 52 Cb 0.44 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 2kps n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kps s THR 53 N -0.64 4.14 0.00 0.00 -4.23 -1.26 -3.27 115.64 110.37 2kps s THR 53 Ca 0.09 1.43 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 2kps s THR 53 Cb 0.07 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.27 2kps s THR 53 CO 0.00 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 2kps n GLY 54 N -0.24 0.04 3.97 3.99 0.00 -1.26 -4.94 105.19 106.75 2kps n GLY 54 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2kps n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kps s LYS 55 N -1.59 2.48 0.07 1.61 3.01 -1.20 -5.11 119.74 119.00 2kps s LYS 55 Ca 0.00 -0.78 -0.06 0.00 -1.01 0.00 0.00 55.97 54.12 2kps s LYS 55 Cb 0.00 -2.47 0.02 0.00 -1.01 0.00 0.00 37.83 34.37 2kps s LYS 55 CO 0.00 -0.78 0.29 0.00 0.51 0.00 0.00 175.35 175.37 2kps n ALA 56 N -2.39 -0.73 -1.72 5.17 0.00 -1.26 -4.97 120.51 114.60 2kps n ALA 56 Ca 0.08 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 2kps n ALA 56 Cb 0.60 0.20 -0.01 0.00 0.00 0.00 0.00 19.45 20.24 2kps n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kps n VAL 57 N -0.20 1.46 0.00 0.00 0.31 -1.26 -4.65 118.33 113.98 2kps n VAL 57 Ca -0.01 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2kps n VAL 57 Cb 0.17 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 2kps n VAL 57 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kps n GLY 58 N 1.46 0.16 2.99 2.92 0.00 -1.26 -5.01 105.19 106.46 2kps n GLY 58 Ca 0.07 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 2kps n GLY 58 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kps s GLU 59 N -0.42 1.59 -0.02 1.61 -1.05 -1.26 -2.36 118.70 116.79 2kps s GLU 59 Ca 0.00 -0.35 -0.03 0.00 -0.15 0.00 0.00 54.97 54.44 2kps s GLU 59 Cb 0.00 -1.38 0.00 0.00 -0.44 0.00 0.00 34.13 32.31 2kps s GLU 59 CO 0.00 -0.04 0.06 -1.01 0.95 0.00 0.00 175.26 175.22 2kps s HIS 60 N 0.87 -0.01 0.08 4.83 3.76 -1.24 -5.01 115.29 118.57 2kps s HIS 60 Ca -0.11 0.03 -0.05 0.00 -0.15 0.00 0.00 55.06 54.79 2kps s HIS 60 Cb -0.15 -0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.47 2kps s HIS 60 CO 0.01 -0.09 0.31 -0.08 -0.85 0.00 0.00 174.74 174.05 2kps s THR 61 N -0.36 5.24 -0.02 1.30 -1.32 -1.26 -3.93 115.64 115.29 2kps s THR 61 Ca -0.04 0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.49 2kps s THR 61 Cb -0.03 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 67.36 2kps s THR 61 CO 0.00 0.18 -0.08 0.68 -2.21 0.00 0.00 174.62 173.19 2kps s VAL 62 N -1.50 0.67 -1.21 5.08 -7.23 -0.62 -4.97 120.40 110.62 2kps s VAL 62 Ca 0.35 -0.30 0.24 0.00 -1.81 0.00 0.00 61.98 60.47 2kps s VAL 62 Cb -0.13 -0.61 0.31 0.00 0.56 0.00 0.00 36.38 36.52 2kps s VAL 62 CO 0.22 0.22 1.79 2.29 -0.31 0.00 0.00 175.10 179.31 2kps n LYS 63 N 3.33 0.17 -1.94 4.82 2.85 -1.26 -2.30 118.16 123.83 2kps n LYS 63 Ca -0.18 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 2kps n LYS 63 Cb 0.54 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 2kps n LYS 63 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2kps n ILE 64 N -1.39-10.06 -2.56 0.58 5.41 -1.26 -4.66 119.36 105.40 2kps n ILE 64 Ca 0.09 3.04 -0.43 0.00 1.00 0.00 0.00 62.75 66.44 2kps n ILE 64 Cb 0.24 -4.59 0.00 0.00 -0.71 0.00 0.00 39.64 34.58 2kps n ILE 64 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2kps n TYR 65 N 1.27 3.58 -2.51 1.39 4.02 -0.63 -4.99 117.16 119.29 2kps n TYR 65 Ca 0.00 -2.97 -0.39 0.00 -0.01 0.00 0.00 57.90 54.53 2kps n TYR 65 Cb 0.00 -2.00 -0.04 0.00 -0.02 0.00 0.00 39.34 37.28 2kps n TYR 65 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 176.86 177.52 2kps s TRP 66 N 0.62 3.45 -0.01 -0.72 -2.14 -1.26 -3.67 118.94 115.21 2kps s TRP 66 Ca 0.40 1.68 0.00 0.00 2.66 0.00 0.00 56.10 60.85 2kps s TRP 66 Cb 0.05 -3.20 0.00 0.00 -3.10 0.00 0.00 33.47 27.23 2kps s TRP 66 CO 0.01 -0.55 -0.01 -0.65 -2.66 0.00 0.00 176.95 173.08 2kps s GLN 67 N -1.92 0.12 0.01 3.25 -1.52 0.71 -5.01 119.66 115.30 2kps s GLN 67 Ca 0.51 -0.02 0.06 0.00 -1.95 0.00 0.00 55.36 53.96 2kps s GLN 67 Cb -0.27 -0.16 -0.02 0.00 -0.22 0.00 0.00 33.01 32.34 2kps s GLN 67 CO 0.35 -0.00 -0.18 -0.51 -0.25 0.00 0.00 175.29 174.69 2kps s LEU 68 N 0.18 2.08 0.00 2.90 1.43 -1.26 -2.09 118.68 121.91 2kps s LEU 68 Ca -0.01 -0.39 0.29 0.00 -1.03 0.00 0.00 54.13 52.99 2kps s LEU 68 Cb -0.03 -0.91 1.47 0.00 0.03 0.00 0.00 46.19 46.75 2kps s LEU 68 CO -0.01 0.19 2.01 -0.81 0.23 0.00 0.00 176.35 177.97 2kps n PRO 69 N 2.35 0.41 -1.88 1.29 -0.04 -1.26 -4.85 135.00 131.02 2kps n PRO 69 Ca -0.16 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 2kps n PRO 69 Cb 0.54 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.69 2kps n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kps s ALA 70 N -2.57 2.11 -0.29 0.55 0.00 -1.26 -5.03 121.76 115.27 2kps s ALA 70 Ca 0.28 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 51.09 2kps s ALA 70 Cb 0.20 -2.77 0.45 0.00 0.00 0.00 0.00 23.12 21.00 2kps s ALA 70 CO 0.44 -2.55 1.24 0.41 0.00 0.00 0.00 175.76 175.31 2kps n GLY 71 N -3.62 6.09 3.94 0.00 0.00 -1.26 -5.06 105.19 105.28 2kps n GLY 71 Ca 0.16 -2.34 -0.28 0.00 0.00 0.00 0.00 46.02 43.55 2kps n GLY 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kps s ILE 72 N -4.30 2.04 -0.09 -0.61 1.10 -1.26 -5.08 121.20 113.00 2kps s ILE 72 Ca 0.49 -0.13 -0.02 0.00 -0.51 0.00 0.00 60.65 60.48 2kps s ILE 72 Cb 0.41 -2.91 -0.03 0.00 0.15 0.00 0.00 42.46 40.07 2kps s ILE 72 CO 0.02 0.00 -0.01 -0.70 -2.11 0.00 0.00 174.94 172.14 2kps s GLU 73 N -5.68 3.00 -0.45 3.50 2.12 -1.26 -5.08 118.70 114.86 2kps s GLU 73 Ca 0.70 -0.43 -0.28 0.00 0.36 0.00 0.00 54.97 55.33 2kps s GLU 73 Cb -0.05 -2.78 0.03 0.00 0.26 0.00 0.00 34.13 31.59 2kps s GLU 73 CO 0.50 0.67 1.05 1.41 -0.54 0.00 0.00 175.26 178.36 2kps s MET 74 N -0.79 3.72 -0.09 4.30 -2.45 -1.26 -4.82 119.30 117.90 2kps s MET 74 Ca 0.12 0.51 -0.19 0.00 -1.25 0.00 0.00 55.69 54.88 2kps s MET 74 Cb -0.11 -3.89 -0.16 0.00 1.25 0.00 0.00 34.83 31.92 2kps s MET 74 CO 0.02 -1.25 0.66 0.28 1.05 0.00 0.00 175.02 175.78 2kps h VAL 75 N 6.10 1.03 -4.05 10.11 2.07 -1.98 -3.48 116.25 126.05 2kps h VAL 75 Ca -0.23 -1.54 -0.12 0.00 0.82 0.00 0.00 66.70 65.63 2kps h VAL 75 Cb 1.07 1.85 -0.16 0.00 -1.52 0.00 0.00 31.29 32.53 2kps h VAL 75 CO 1.08 0.32 -0.59 -0.44 0.02 0.00 0.00 177.57 177.95 2kps s SER 76 N -5.77 0.34 -0.18 0.57 0.01 -1.26 -5.12 113.70 102.29 2kps s SER 76 Ca -0.12 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.31 2kps s SER 76 Cb -0.01 0.23 -0.00 0.00 0.21 0.00 0.00 66.02 66.45 2kps s SER 76 CO 0.46 -0.59 -0.11 -0.51 0.41 0.00 0.00 173.24 172.89 2kps s ILE 77 N -3.51 2.90 0.32 1.44 1.10 -1.26 -4.80 121.20 117.40 2kps s ILE 77 Ca 0.03 -0.67 -0.06 0.00 -0.51 0.00 0.00 60.65 59.44 2kps s ILE 77 Cb 0.04 -2.27 -0.05 0.00 0.15 0.00 0.00 42.46 40.33 2kps s ILE 77 CO -0.09 0.48 0.60 -2.16 -2.11 0.00 0.00 174.94 171.67 2kps s PRO 78 N 1.09 3.65 0.26 3.50 0.04 -1.26 -5.10 135.00 137.19 2kps s PRO 78 Ca 0.00 0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.16 2kps s PRO 78 Cb -0.14 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 2kps s PRO 78 CO -0.03 0.15 0.05 -0.51 0.04 0.00 0.00 177.00 176.70 2kps s ASP 79 N -3.22 1.63 0.00 6.66 1.11 -1.26 -4.44 116.67 117.16 2kps s ASP 79 Ca 0.45 -1.32 -0.09 0.00 0.18 0.00 0.00 52.55 51.77 2kps s ASP 79 Cb -0.11 0.06 0.01 0.00 1.07 0.00 0.00 42.92 43.95 2kps s ASP 79 CO 0.31 -0.63 0.17 0.54 1.18 0.00 0.00 175.17 176.74 2kps s VAL 80 N -3.55 0.08 0.03 -1.27 0.11 -0.97 -4.97 120.40 109.86 2kps s VAL 80 Ca 0.34 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 2kps s VAL 80 Cb 0.07 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 2kps s VAL 80 CO 0.12 -0.37 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.58 2kps s THR 81 N -1.47 0.36 0.03 5.04 2.01 -1.26 -1.58 115.64 118.76 2kps s THR 81 Ca -0.14 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 2kps s THR 81 Cb -0.07 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 72.01 2kps s THR 81 CO 0.02 -0.38 0.09 0.00 -0.69 0.00 0.00 174.62 173.67 2kps n TYR 82 N 1.67 -0.91 -4.39 4.92 9.36 -1.25 -5.03 117.16 121.53 2kps n TYR 82 Ca -0.22 -0.16 -0.31 0.00 3.32 0.00 0.00 57.90 60.52 2kps n TYR 82 Cb 0.55 0.08 -0.10 0.00 -0.63 0.00 0.00 39.34 39.24 2kps n TYR 82 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2kps s THR 83 N -2.72 3.57 -0.07 2.97 2.01 -1.26 -3.72 115.64 116.41 2kps s THR 83 Ca 0.02 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.14 2kps s THR 83 Cb -0.00 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 2kps s THR 83 CO 0.01 0.30 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.27 2kps s LEU 84 N -1.68 2.30 -0.10 4.42 1.43 -1.00 -4.24 118.68 119.83 2kps s LEU 84 Ca 0.19 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2kps s LEU 84 Cb -0.11 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2kps s LEU 84 CO 0.10 0.25 -0.08 -1.59 0.23 0.00 0.00 176.35 175.26 2kps s LYS 85 N -0.18 3.06 0.58 1.70 -2.85 -1.10 -3.99 119.74 116.97 2kps s LYS 85 Ca -0.02 -0.57 -0.20 0.00 -1.00 0.00 0.00 55.97 54.17 2kps s LYS 85 Cb -0.14 -2.66 -0.04 0.00 -2.06 0.00 0.00 37.83 32.93 2kps s LYS 85 CO 0.03 0.49 1.28 0.00 0.10 0.00 0.00 175.35 177.25 2kps n ALA 86 N 2.76 1.25 -1.76 0.59 0.00 -1.26 -2.55 120.51 119.53 2kps n ALA 86 Ca -0.18 0.08 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 2kps n ALA 86 Cb 0.53 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.68 2kps n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kps s LYS 87 N -2.98 3.44 0.00 0.00 2.20 -0.17 -4.81 119.74 117.43 2kps s LYS 87 Ca 0.75 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 2kps s LYS 87 Cb -0.41 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 2kps s LYS 87 CO 0.47 -0.87 0.00 -0.85 -0.36 0.00 0.00 175.35 173.74 2kps n GLU 88 N -0.79 0.00 -1.91 4.03 0.28 -1.26 -4.97 120.64 116.02 2kps n GLU 88 Ca 0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.67 2kps n GLU 88 Cb 0.47 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.31 2kps n GLU 88 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kps s ASP 89 N 0.00 6.54 0.34 -1.84 1.01 -1.26 -4.90 116.67 116.57 2kps s ASP 89 Ca 0.00 2.30 0.11 0.00 0.71 0.00 0.00 52.55 55.67 2kps s ASP 89 Cb 0.00 -2.53 0.90 0.00 1.01 0.00 0.00 42.92 42.29 2kps s ASP 89 CO 0.00 -1.02 1.78 -0.65 0.21 0.00 0.00 175.17 175.48 2kps h PRO 90 N 10.12 0.58 0.00 8.23 0.11 -1.82 -3.42 132.00 145.81 2kps h PRO 90 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kps h PRO 90 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2kps h PRO 90 CO 0.95 0.38 0.00 1.47 -0.21 0.00 0.00 178.00 180.60 2kps n LEU 91 N -4.73 0.00 -3.62 2.35 -0.00 -1.26 -5.14 117.00 104.60 2kps n LEU 91 Ca 0.24 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.15 2kps n LEU 91 Cb 0.69 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.05 2kps n LEU 91 CO 0.22 0.00 0.74 -0.70 -0.00 0.00 0.00 177.39 177.66 2kps s GLU 92 N -0.41 0.53 0.51 1.47 2.12 -1.26 -5.15 118.70 116.50 2kps s GLU 92 Ca 0.00 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.83 2kps s GLU 92 Cb 0.00 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.65 2kps s GLU 92 CO 0.00 -0.09 0.00 1.58 -0.54 0.00 0.00 175.26 176.21 2kps n HIS 93 N 1.90 -3.37 -2.73 5.30 -0.00 -1.26 -4.74 115.22 110.32 2kps n HIS 93 Ca -0.12 1.83 -0.42 0.00 -0.00 0.00 0.00 57.72 59.01 2kps n HIS 93 Cb 0.56 -3.07 -0.03 0.00 -0.00 0.00 0.00 29.99 27.46 2kps n HIS 93 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kps s HIS 94 N -4.00 3.61 -0.30 1.57 3.76 -1.26 -4.56 115.29 114.11 2kps s HIS 94 Ca 0.00 1.64 -0.07 0.00 -0.15 0.00 0.00 55.06 56.48 2kps s HIS 94 Cb 0.00 -3.12 0.19 0.00 1.11 0.00 0.00 32.58 30.76 2kps s HIS 94 CO 0.00 -0.06 0.86 -1.58 -0.85 0.00 0.00 174.74 173.10 2kps s HIS 95 N 1.28 -1.01 -0.33 1.40 5.04 -1.26 -5.10 115.29 115.31 2kps s HIS 95 Ca 0.50 0.91 -0.02 0.00 -1.54 0.00 0.00 55.06 54.90 2kps s HIS 95 Cb -0.20 0.29 0.19 0.00 0.04 0.00 0.00 32.58 32.90 2kps s HIS 95 CO 0.24 -0.57 0.84 -1.58 -2.34 0.00 0.00 174.74 171.34 2kps s HIS 96 N 2.91 -1.06 0.30 3.88 2.46 -1.26 -4.63 115.29 117.89 2kps s HIS 96 Ca 0.12 0.40 -0.29 0.00 0.47 0.00 0.00 55.06 55.76 2kps s HIS 96 Cb -0.10 0.19 -0.10 0.00 -0.13 0.00 0.00 32.58 32.44 2kps s HIS 96 CO -0.18 -0.67 1.27 -1.58 -2.47 0.00 0.00 174.74 171.11 2kps s HIS 97 N 2.41 3.18 -2.00 3.88 2.46 -1.26 -5.23 115.29 118.73 2kps s HIS 97 Ca 0.18 1.43 0.07 0.00 0.47 0.00 0.00 55.06 57.21 2kps s HIS 97 Cb -0.03 -3.60 0.40 0.00 -0.13 0.00 0.00 32.58 29.22 2kps s HIS 97 CO -0.18 -1.63 0.86 0.72 -2.47 0.00 0.00 174.74 172.04