#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 0.00 -1.98 3.17 4.81 -1.26 -5.11 118.16 117.79 2kps n LYS 2 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2kps n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2kps n LYS 2 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2kps s THR 3 N -1.94 3.35 0.15 3.15 2.01 -1.26 -4.89 115.64 116.20 2kps s THR 3 Ca 0.00 0.62 -0.13 0.00 0.31 0.00 0.00 61.69 62.49 2kps s THR 3 Cb 0.00 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 69.13 2kps s THR 3 CO 0.00 -0.03 1.63 -0.07 -0.69 0.00 0.00 174.62 175.46 2kps h LEU 4 N 9.36 0.78 -8.18 4.42 3.38 -2.06 -3.37 115.31 119.64 2kps h LEU 4 Ca -0.41 -0.27 -0.55 0.00 0.09 0.00 0.00 57.88 56.74 2kps h LEU 4 Cb 1.19 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.64 2kps h LEU 4 CO 0.94 0.85 1.33 -0.31 0.09 0.00 0.00 178.44 181.34 2kps s TYR 5 N -5.17 2.38 -1.87 1.13 2.02 -1.26 -4.78 117.35 109.80 2kps s TYR 5 Ca -0.13 -0.48 0.31 0.00 -0.37 0.00 0.00 57.07 56.40 2kps s TYR 5 Cb 0.11 -4.60 1.65 0.00 -0.40 0.00 0.00 41.96 38.72 2kps s TYR 5 CO 0.80 -1.96 2.09 -0.40 -1.57 0.00 0.00 175.55 174.52 2kps n ASP 6 N 9.60 0.21 -2.75 2.29 5.75 -1.26 -4.30 116.55 126.09 2kps n ASP 6 Ca 0.27 -0.80 -0.06 0.00 -0.01 0.00 0.00 54.79 54.19 2kps n ASP 6 Cb 0.50 -0.07 0.03 0.00 -1.03 0.00 0.00 41.12 40.55 2kps n ASP 6 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2kps n LEU 7 N -0.94 -3.03 -4.71 -2.12 7.94 -1.26 -5.09 117.00 107.78 2kps n LEU 7 Ca 0.20 -3.03 -0.43 0.00 -1.11 0.00 0.00 56.01 51.64 2kps n LEU 7 Cb 0.19 0.79 -0.03 0.00 0.53 0.00 0.00 43.42 44.89 2kps n LEU 7 CO 0.20 1.94 1.33 -2.65 -1.11 0.00 0.00 177.39 177.09 2kps n PRO 8 N 2.18 2.65 -4.25 1.96 -0.02 -1.26 -4.59 135.00 131.67 2kps n PRO 8 Ca 0.12 0.96 -0.21 0.00 -2.02 0.00 0.00 63.50 62.35 2kps n PRO 8 Cb 0.61 -2.78 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 2kps n PRO 8 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kps s ILE 9 N 1.02 1.49 -0.14 4.25 -1.09 -1.26 -4.95 121.20 120.52 2kps s ILE 9 Ca 0.75 -1.58 -0.07 0.00 -2.23 0.00 0.00 60.65 57.52 2kps s ILE 9 Cb -0.54 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 2kps s ILE 9 CO 0.35 -0.22 0.12 -0.69 -1.23 0.00 0.00 174.94 173.26 2kps s VAL 10 N -1.54 5.29 -0.03 2.92 1.01 -1.25 -4.98 120.40 121.82 2kps s VAL 10 Ca 0.06 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 2kps s VAL 10 Cb -0.08 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.99 2kps s VAL 10 CO 0.04 0.56 0.02 -0.22 0.00 0.00 0.00 175.10 175.50 2kps s LEU 11 N -0.55 0.97 0.00 3.92 2.96 -1.26 -3.68 118.68 121.05 2kps s LEU 11 Ca 0.12 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2kps s LEU 11 Cb -0.12 -0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.42 2kps s LEU 11 CO 0.02 -0.14 0.00 -2.11 -1.32 0.00 0.00 176.35 172.80 2kps n ARG 12 N 4.35 1.20 0.00 1.98 -4.01 -1.26 -4.82 116.66 114.10 2kps n ARG 12 Ca -0.23 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.58 2kps n ARG 12 Cb 0.50 -0.52 0.00 0.00 -3.04 0.00 0.00 32.46 29.40 2kps n ARG 12 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2kps n ASN 13 N -0.47 0.00 -4.65 2.89 3.02 -1.26 -4.63 115.26 110.16 2kps n ASN 13 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 2kps n ASN 13 Cb 0.02 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 2kps n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kps s LEU 14 N 0.00 4.11 0.31 3.41 1.43 -1.26 -3.00 118.68 123.68 2kps s LEU 14 Ca 0.00 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.13 2kps s LEU 14 Cb 0.00 -2.32 -0.14 0.00 0.03 0.00 0.00 46.19 43.75 2kps s LEU 14 CO 0.00 -0.04 0.78 -2.65 0.23 0.00 0.00 176.35 174.66 2kps n PRO 15 N 4.60 0.84 0.07 1.29 -0.02 -1.26 -4.78 135.00 135.75 2kps n PRO 15 Ca -0.11 0.30 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 2kps n PRO 15 Cb 0.51 -1.57 0.26 0.00 -0.02 0.00 0.00 33.50 32.68 2kps n PRO 15 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kps n GLU 16 N 0.72 0.06 -0.07 -0.52 -0.58 -1.26 -0.05 120.64 118.94 2kps n GLU 16 Ca 0.12 0.55 0.08 0.00 -0.42 0.00 0.00 57.16 57.50 2kps n GLU 16 Cb 0.33 -1.71 0.11 0.00 -0.57 0.00 0.00 31.44 29.60 2kps n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kps n ASP 17 N -1.83 2.64 -4.25 1.62 8.00 -1.26 -4.93 116.55 116.54 2kps n ASP 17 Ca -0.01 -1.77 -0.20 0.00 0.71 0.00 0.00 54.79 53.52 2kps n ASP 17 Cb 0.03 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.26 2.35 0.17 0.64 2.96 0.93 -0.70 118.68 123.76 2kps s LEU 18 Ca 0.23 -0.74 -0.07 0.00 -0.22 0.00 0.00 54.13 53.33 2kps s LEU 18 Cb 0.15 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 2kps s LEU 18 CO 0.21 -0.05 0.25 0.68 -1.32 0.00 0.00 176.35 176.12 2kps s VAL 19 N -1.64 0.06 0.03 1.68 -7.23 -1.04 -4.50 120.40 107.77 2kps s VAL 19 Ca 0.07 -1.51 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 2kps s VAL 19 Cb -0.08 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 2kps s VAL 19 CO 0.04 -0.28 0.21 -0.22 -0.31 0.00 0.00 175.10 174.54 2kps s LEU 20 N -3.00 4.36 0.06 1.32 2.96 -1.26 -2.57 118.68 120.55 2kps s LEU 20 Ca 0.20 0.34 -0.22 0.00 -0.22 0.00 0.00 54.13 54.23 2kps s LEU 20 Cb 0.04 -2.81 -0.14 0.00 0.50 0.00 0.00 46.19 43.79 2kps s LEU 20 CO 0.02 0.21 1.57 -0.33 -1.32 0.00 0.00 176.35 176.50 2kps h GLU 21 N 3.45 0.14 0.00 1.98 5.08 -1.94 -3.48 114.58 119.81 2kps h GLU 21 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2kps h GLU 21 Cb 1.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2kps h GLU 21 CO 0.72 0.29 0.00 1.17 -1.00 0.00 0.00 179.01 180.19 2kps n LYS 22 N -4.91 0.00 -0.88 2.33 4.81 -1.26 -5.16 118.16 113.09 2kps n LYS 22 Ca -0.06 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.07 2kps n LYS 22 Cb 0.13 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.33 2kps n LYS 22 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2kps s PRO 23 N 0.00 1.29 0.00 1.64 0.02 -1.26 -4.77 135.00 131.92 2kps s PRO 23 Ca 0.00 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.38 2kps s PRO 23 Cb 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.75 2kps s PRO 23 CO 0.00 -2.38 0.00 -0.11 -0.33 0.00 0.00 177.00 174.18 2kps n LEU 24 N -4.04 0.00 0.05 -5.54 -0.00 -1.26 -4.99 117.00 101.22 2kps n LEU 24 Ca 0.10 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.93 2kps n LEU 24 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.80 2kps n LEU 24 CO 0.51 0.00 -0.47 1.55 -0.00 0.00 0.00 177.39 178.98 2kps h PRO 25 N 0.00 0.25 -2.73 1.96 0.13 -1.86 -3.39 132.00 126.37 2kps h PRO 25 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kps h PRO 25 Cb 0.00 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.29 2kps h PRO 25 CO 0.00 1.10 0.29 -1.91 -0.23 0.00 0.00 178.00 177.26 2kps n GLU 26 N -3.44 0.00 -2.64 0.86 2.13 -1.26 -4.60 120.64 111.69 2kps n GLU 26 Ca -0.21 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.40 2kps n GLU 26 Cb 1.05 -1.30 0.04 0.00 0.27 0.00 0.00 31.44 31.50 2kps n GLU 26 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2kps s VAL 27 N 2.19 2.61 0.47 6.31 -7.23 -1.26 -5.11 120.40 118.37 2kps s VAL 27 Ca 0.00 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.55 2kps s VAL 27 Cb 0.00 -2.95 0.02 0.00 0.56 0.00 0.00 36.38 34.00 2kps s VAL 27 CO 0.00 0.00 0.65 -0.94 -0.31 0.00 0.00 175.10 174.50 2kps s SER 28 N -4.45 5.56 -0.18 4.85 1.04 -1.26 -5.02 113.70 114.24 2kps s SER 28 Ca 0.58 -0.15 -0.28 0.00 0.48 0.00 0.00 55.95 56.59 2kps s SER 28 Cb -0.10 -0.92 0.09 0.00 0.10 0.00 0.00 66.02 65.19 2kps s SER 28 CO 0.39 -0.87 0.80 0.54 0.98 0.00 0.00 173.24 175.08 2kps s VAL 29 N -2.52 0.00 -0.38 5.02 0.11 -1.26 -4.72 120.40 116.64 2kps s VAL 29 Ca 0.54 0.00 0.13 0.00 -2.93 0.00 0.00 61.98 59.72 2kps s VAL 29 Cb -0.10 -1.00 0.40 0.00 -1.53 0.00 0.00 36.38 34.15 2kps s VAL 29 CO 0.35 0.00 0.89 0.41 -3.33 0.00 0.00 175.10 173.42 2kps n THR 30 N 1.75 0.96 -3.88 5.04 -1.04 -1.26 -5.07 114.28 110.76 2kps n THR 30 Ca -0.15 -4.15 -0.14 0.00 -2.04 0.00 0.00 64.05 57.57 2kps n THR 30 Cb 0.56 -0.15 -0.15 0.00 -1.82 0.00 0.00 70.33 68.77 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 -3.30 0.05 -0.08 12.58 1.01 -1.26 -4.26 121.20 125.95 2kps s ILE 31 Ca 0.37 0.04 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 2kps s ILE 31 Cb 0.39 -0.10 0.03 0.00 0.01 0.00 0.00 42.46 42.79 2kps s ILE 31 CO -0.05 0.05 -0.03 -0.13 0.00 0.00 0.00 174.94 174.78 2kps s ARG 32 N 0.38 0.90 0.00 2.79 1.81 -1.26 -5.13 118.95 118.45 2kps s ARG 32 Ca -0.03 -0.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 2kps s ARG 32 Cb -0.05 -1.10 0.00 0.00 -0.45 0.00 0.00 34.95 33.35 2kps s ARG 32 CO -0.01 -0.24 0.00 0.00 -0.68 0.00 0.00 175.30 174.37 2kps n ALA 33 N 4.82 0.00 -1.77 2.13 0.00 -1.26 -4.85 120.51 119.58 2kps n ALA 33 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.91 2kps n ALA 33 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 0.35 3.20 0.40 0.00 1.51 -1.26 -4.91 117.35 116.63 2kps s TYR 34 Ca 0.00 1.51 0.29 0.00 -1.01 0.00 0.00 57.07 57.86 2kps s TYR 34 Cb 0.00 -3.55 1.49 0.00 -0.11 0.00 0.00 41.96 39.80 2kps s TYR 34 CO 0.00 -1.45 2.08 -1.00 -1.11 0.00 0.00 175.55 174.07 2kps h PRO 35 N 3.44 0.00 -0.02 -1.71 0.13 -1.97 -1.74 132.00 130.13 2kps h PRO 35 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2kps h PRO 35 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kps h PRO 35 CO 0.66 0.10 -0.02 0.93 -0.23 0.00 0.00 178.00 179.44 2kps h GLU 36 N 0.00 0.05 0.00 0.86 5.08 -1.99 0.13 114.58 118.71 2kps h GLU 36 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kps h GLU 36 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2kps h GLU 36 CO 0.01 0.53 0.00 0.82 -1.00 0.00 0.00 179.01 179.38 2kps h ILE 37 N -0.43 0.00 0.04 3.13 2.04 -1.91 -3.15 117.51 117.23 2kps h ILE 37 Ca 0.00 -0.67 -0.29 0.00 1.00 0.00 0.00 64.86 64.90 2kps h ILE 37 Cb 0.52 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 2kps h ILE 37 CO 0.01 0.00 -1.60 -0.07 0.00 0.00 0.00 178.15 176.48 2kps h LEU 38 N 0.00 0.12 -2.12 1.44 3.38 -1.26 -3.01 115.31 113.86 2kps h LEU 38 Ca 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2kps h LEU 38 Cb 0.70 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kps h LEU 38 CO 0.00 1.19 -0.06 0.78 0.09 0.00 0.00 178.44 180.44 2kps h ASN 39 N 0.02 0.00 -0.15 -0.43 2.35 -0.69 -2.26 115.58 114.42 2kps h ASN 39 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2kps h ASN 39 Cb 1.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.35 2kps h ASN 39 CO 0.10 0.06 0.00 -3.20 -1.65 0.00 0.00 177.43 172.75 2kps n ASN 40 N -3.43 2.50 -4.88 5.81 5.15 -1.24 -5.01 115.26 114.17 2kps n ASN 40 Ca -0.02 -2.14 -0.37 0.00 -0.60 0.00 0.00 54.58 51.46 2kps n ASN 40 Cb 0.20 -0.15 -0.06 0.00 -0.53 0.00 0.00 39.78 39.24 2kps n ASN 40 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kps s LEU 41 N -1.25 4.37 0.00 1.20 1.43 -0.85 -5.09 118.68 118.49 2kps s LEU 41 Ca 0.14 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2kps s LEU 41 Cb 0.09 -2.11 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2kps s LEU 41 CO 0.07 0.40 0.01 1.07 0.23 0.00 0.00 176.35 178.13 2kps n THR 42 N 1.90 0.00 0.06 5.49 5.66 -1.26 -4.95 114.28 121.18 2kps n THR 42 Ca -0.19 -1.08 -0.13 0.00 -3.05 0.00 0.00 64.05 59.59 2kps n THR 42 Cb 0.55 0.24 -0.14 0.00 -1.55 0.00 0.00 70.33 69.43 2kps n THR 42 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2kps h LYS 43 N 0.00 0.17 0.00 1.09 2.10 -1.99 -3.31 116.57 114.62 2kps h LYS 43 Ca -0.18 -0.29 -0.03 0.00 -2.00 0.00 0.00 60.65 58.15 2kps h LYS 43 Cb 0.57 0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2kps h LYS 43 CO 0.30 1.04 -0.13 1.05 -2.00 0.00 0.00 179.45 179.71 2kps h GLU 44 N 0.05 0.00 -0.00 0.07 4.11 -1.98 -2.96 114.58 113.86 2kps h GLU 44 Ca -0.17 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.03 2kps h GLU 44 Cb 1.95 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.22 2kps h GLU 44 CO 0.15 0.13 -0.86 0.37 0.07 0.00 0.00 179.01 178.87 2kps h GLN 45 N 0.00 0.59 -6.63 1.06 5.75 -1.99 -3.44 115.11 110.45 2kps h GLN 45 Ca -0.00 -0.63 -0.52 0.00 -0.15 0.00 0.00 58.65 57.35 2kps h GLN 45 Cb 0.53 0.18 0.05 0.00 1.07 0.00 0.00 27.48 29.31 2kps h GLN 45 CO 0.02 1.24 0.93 0.42 -2.65 0.00 0.00 178.83 178.79 2kps s ILE 46 N -3.27 2.39 -0.28 2.39 -1.09 -1.12 -4.95 121.20 115.26 2kps s ILE 46 Ca -0.11 0.28 -0.04 0.00 -2.23 0.00 0.00 60.65 58.54 2kps s ILE 46 Cb 0.05 -3.18 0.03 0.00 -1.58 0.00 0.00 42.46 37.78 2kps s ILE 46 CO 0.88 0.02 0.02 -0.44 -1.23 0.00 0.00 174.94 174.19 2kps s SER 47 N 1.16 4.80 0.03 3.58 0.01 -1.08 -5.01 113.70 117.20 2kps s SER 47 Ca 0.72 -0.92 0.02 0.00 1.31 0.00 0.00 55.95 57.08 2kps s SER 47 Cb -0.46 -1.77 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2kps s SER 47 CO 0.31 -0.20 -0.07 -0.76 0.41 0.00 0.00 173.24 172.94 2kps s LEU 48 N 1.38 2.21 -0.28 2.44 1.43 -1.26 -3.33 118.68 121.27 2kps s LEU 48 Ca -0.00 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.44 2kps s LEU 48 Cb -0.18 -0.17 0.08 0.00 0.03 0.00 0.00 46.19 45.96 2kps s LEU 48 CO -0.01 -0.16 0.74 0.86 0.23 0.00 0.00 176.35 178.01 2kps s TRP 49 N -1.15 -0.90 -0.10 0.29 -0.00 -1.26 -3.77 118.94 112.04 2kps s TRP 49 Ca -0.08 1.94 -0.04 0.00 -0.00 0.00 0.00 56.10 57.92 2kps s TRP 49 Cb -0.08 0.48 -0.04 0.00 -0.00 0.00 0.00 33.47 33.82 2kps s TRP 49 CO 0.00 -0.44 0.08 0.42 -0.00 0.00 0.00 176.95 177.00 2kps s ILE 50 N 1.11 4.93 -0.53 5.86 1.01 -1.24 -4.28 121.20 128.05 2kps s ILE 50 Ca -0.06 -0.03 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 2kps s ILE 50 Cb -0.05 -3.12 0.08 0.00 0.01 0.00 0.00 42.46 39.38 2kps s ILE 50 CO -0.12 0.60 0.61 -0.62 0.00 0.00 0.00 174.94 175.40 2kps s ASP 51 N -1.02 6.20 -0.40 3.58 2.15 -1.26 -4.48 116.67 121.44 2kps s ASP 51 Ca 0.15 -1.21 0.05 0.00 0.43 0.00 0.00 52.55 51.97 2kps s ASP 51 Cb -0.12 -2.27 0.54 0.00 -0.30 0.00 0.00 42.92 40.77 2kps s ASP 51 CO 0.04 -0.92 1.67 0.00 -0.17 0.00 0.00 175.17 175.78 2kps n ALA 52 N 6.00 5.11 -2.38 3.66 0.00 -1.25 -4.91 120.51 126.74 2kps n ALA 52 Ca -0.09 -3.20 -0.42 0.00 0.00 0.00 0.00 53.44 49.73 2kps n ALA 52 Cb 0.44 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 2kps n ALA 52 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kps s THR 53 N -3.65 3.99 -0.52 0.00 -1.32 -1.16 -3.10 115.64 109.87 2kps s THR 53 Ca 0.52 1.40 -0.02 0.00 -1.21 0.00 0.00 61.69 62.38 2kps s THR 53 Cb 0.45 -3.90 0.00 0.00 -1.51 0.00 0.00 72.50 67.54 2kps s THR 53 CO 0.03 0.07 0.23 0.61 -2.21 0.00 0.00 174.62 173.35 2kps n GLY 54 N 3.33 0.30 3.59 6.08 0.00 -1.26 -5.01 105.19 112.22 2kps n GLY 54 Ca 0.10 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 2kps n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kps s LYS 55 N -4.98 3.89 0.50 1.61 2.47 -1.18 -5.07 119.74 116.98 2kps s LYS 55 Ca 0.11 -0.10 -0.03 0.00 -1.56 0.00 0.00 55.97 54.39 2kps s LYS 55 Cb -0.05 -3.70 -0.01 0.00 -1.46 0.00 0.00 37.83 32.61 2kps s LYS 55 CO 0.14 -0.34 0.78 0.00 0.16 0.00 0.00 175.35 176.09 2kps s ALA 56 N 2.05 3.49 0.67 3.13 0.00 -1.26 -4.87 121.76 124.96 2kps s ALA 56 Ca 0.14 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.17 2kps s ALA 56 Cb -0.16 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 2kps s ALA 56 CO 0.11 -0.50 1.09 0.28 0.00 0.00 0.00 175.76 176.74 2kps n VAL 57 N -2.29 3.77 0.00 0.00 0.31 -1.26 -4.73 118.33 114.12 2kps n VAL 57 Ca 0.02 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2kps n VAL 57 Cb 0.57 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 1.06 0.08 3.01 2.92 0.00 -1.26 -5.01 105.19 106.00 2kps n GLY 58 Ca 0.14 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.33 0.17 0.03 1.61 -1.05 -1.26 -2.12 118.70 115.76 2kps s GLU 59 Ca 0.00 0.55 -0.10 0.00 -0.15 0.00 0.00 54.97 55.27 2kps s GLU 59 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 2kps s GLU 59 CO 0.00 -0.19 0.20 -1.01 0.95 0.00 0.00 175.26 175.20 2kps s HIS 60 N 1.52 0.04 0.25 4.83 3.76 -1.25 -4.97 115.29 119.47 2kps s HIS 60 Ca -0.07 -0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.32 2kps s HIS 60 Cb -0.11 -0.02 -0.09 0.00 1.11 0.00 0.00 32.58 33.47 2kps s HIS 60 CO -0.08 -0.41 0.99 -0.08 -0.85 0.00 0.00 174.74 174.31 2kps s THR 61 N -2.36 3.88 0.00 1.30 -1.32 -1.26 -4.31 115.64 111.57 2kps s THR 61 Ca -0.07 1.89 0.04 0.00 -1.21 0.00 0.00 61.69 62.35 2kps s THR 61 Cb -0.02 -4.20 -0.01 0.00 -1.51 0.00 0.00 72.50 66.75 2kps s THR 61 CO -0.03 0.45 -0.14 0.68 -2.21 0.00 0.00 174.62 173.37 2kps s VAL 62 N -1.14 1.10 0.44 5.08 -7.23 -0.97 -5.01 120.40 112.67 2kps s VAL 62 Ca 0.42 -0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 59.76 2kps s VAL 62 Cb -0.28 -0.93 -0.08 0.00 0.56 0.00 0.00 36.38 35.65 2kps s VAL 62 CO 0.35 0.24 0.86 -0.54 -0.31 0.00 0.00 175.10 175.70 2kps s LYS 63 N -0.52 3.92 0.00 4.82 1.02 -1.26 -3.78 119.74 123.94 2kps s LYS 63 Ca 0.04 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.78 2kps s LYS 63 Cb -0.06 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2kps s LYS 63 CO -0.00 -0.10 0.00 -0.89 -0.92 0.00 0.00 175.35 173.44 2kps n ILE 64 N -1.20 0.00 -2.64 2.17 2.08 -1.26 -4.43 119.36 114.08 2kps n ILE 64 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 2kps n ILE 64 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.43 2kps n ILE 64 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kps n TYR 65 N 0.00 -0.50 -3.58 1.39 9.36 -1.26 -4.73 117.16 117.84 2kps n TYR 65 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 2kps n TYR 65 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.67 2kps n TYR 65 CO 0.00 0.00 0.00 -0.46 0.22 0.00 0.00 176.86 176.62 2kps s TRP 66 N -5.91 -1.36 -0.39 2.98 -0.11 -1.26 -4.98 118.94 107.91 2kps s TRP 66 Ca 0.00 2.22 0.07 0.00 1.22 0.00 0.00 56.10 59.61 2kps s TRP 66 Cb 0.00 0.76 0.18 0.00 -1.50 0.00 0.00 33.47 32.91 2kps s TRP 66 CO 0.00 -0.69 0.64 -1.14 -4.62 0.00 0.00 176.95 171.14 2kps s GLN 67 N 2.88 0.75 0.00 5.86 2.00 -1.21 -5.05 119.66 124.89 2kps s GLN 67 Ca -0.02 -0.13 -0.14 0.00 -2.00 0.00 0.00 55.36 53.07 2kps s GLN 67 Cb -0.12 0.12 0.02 0.00 0.80 0.00 0.00 33.01 33.83 2kps s GLN 67 CO -0.19 -1.12 0.30 -0.48 -0.50 0.00 0.00 175.29 173.30 2kps s LEU 68 N 2.01 0.88 0.00 3.68 0.05 -1.26 -2.64 118.68 121.40 2kps s LEU 68 Ca 0.15 -0.01 0.09 0.00 0.05 0.00 0.00 54.13 54.42 2kps s LEU 68 Cb -0.05 1.28 0.44 0.00 -2.05 0.00 0.00 46.19 45.81 2kps s LEU 68 CO -0.10 -0.50 1.30 -0.81 -0.55 0.00 0.00 176.35 175.69 2kps n PRO 69 N 1.06 1.20 -2.08 1.48 -0.04 -1.26 -4.88 135.00 130.49 2kps n PRO 69 Ca -0.21 -0.31 -0.32 0.00 -0.04 0.00 0.00 63.50 62.63 2kps n PRO 69 Cb 0.57 -1.16 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.90 2.93 -0.22 0.55 0.00 -1.26 -5.00 121.76 116.85 2kps s ALA 70 Ca 0.15 0.18 0.11 0.00 0.00 0.00 0.00 51.96 52.39 2kps s ALA 70 Cb 0.07 -3.15 0.43 0.00 0.00 0.00 0.00 23.12 20.47 2kps s ALA 70 CO 0.11 -0.62 1.24 0.41 0.00 0.00 0.00 175.76 176.90 2kps n GLY 71 N -1.69 5.17 2.84 0.00 0.00 -1.26 -5.06 105.19 105.18 2kps n GLY 71 Ca 0.07 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 2kps n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2kps n ILE 72 N -1.11 0.00 -4.40 -0.61 0.13 -1.26 -5.06 119.36 107.05 2kps n ILE 72 Ca 0.21 -0.45 -0.35 0.00 -1.10 0.00 0.00 62.75 61.06 2kps n ILE 72 Cb 0.73 -1.26 -0.10 0.00 -0.84 0.00 0.00 39.64 38.17 2kps n ILE 72 CO 0.00 0.00 0.00 -1.83 2.80 0.00 0.00 176.55 177.52 2kps s GLU 73 N -5.04 2.93 -0.79 9.51 -1.05 -1.26 -5.07 118.70 117.94 2kps s GLU 73 Ca 0.57 -0.44 -0.24 0.00 -0.15 0.00 0.00 54.97 54.70 2kps s GLU 73 Cb -0.05 -2.76 0.05 0.00 -0.44 0.00 0.00 34.13 30.94 2kps s GLU 73 CO 0.43 0.69 1.22 -1.64 0.95 0.00 0.00 175.26 176.91 2kps s MET 74 N -0.94 3.29 -0.02 -4.83 -1.94 -1.26 -4.83 119.30 108.76 2kps s MET 74 Ca 0.14 -0.70 -0.23 0.00 -1.71 0.00 0.00 55.69 53.19 2kps s MET 74 Cb -0.11 -4.50 -0.16 0.00 2.01 0.00 0.00 34.83 32.07 2kps s MET 74 CO 0.03 -2.05 1.04 0.28 -0.01 0.00 0.00 175.02 174.31 2kps h VAL 75 N 6.16 0.70 -2.88 -6.03 2.07 -1.98 -3.48 116.25 110.82 2kps h VAL 75 Ca -0.15 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 2kps h VAL 75 Cb 1.04 1.10 -0.15 0.00 -1.52 0.00 0.00 31.29 31.77 2kps h VAL 75 CO 1.27 0.15 0.08 -0.55 0.02 0.00 0.00 177.57 178.54 2kps s SER 76 N -5.23 -0.46 -0.18 0.57 0.15 -1.26 -5.12 113.70 102.17 2kps s SER 76 Ca -0.13 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 2kps s SER 76 Cb 0.01 0.52 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2kps s SER 76 CO 0.49 -0.80 -0.04 -0.63 1.20 0.00 0.00 173.24 173.46 2kps s ILE 77 N -2.94 1.11 0.43 6.45 -1.09 -1.26 -4.57 121.20 119.34 2kps s ILE 77 Ca -0.03 -0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 57.61 2kps s ILE 77 Cb -0.00 -1.35 0.09 0.00 -1.58 0.00 0.00 42.46 39.62 2kps s ILE 77 CO -0.06 0.03 0.59 -0.81 -1.23 0.00 0.00 174.94 173.47 2kps n PRO 78 N 4.86 -0.30 -4.45 2.79 -0.04 -1.26 -5.12 135.00 131.48 2kps n PRO 78 Ca -0.11 -1.12 -0.24 0.00 -0.04 0.00 0.00 63.50 61.98 2kps n PRO 78 Cb 0.47 -0.54 -0.08 0.00 -0.04 0.00 0.00 33.50 33.31 2kps n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kps s ASP 79 N -3.22 2.52 -0.01 3.54 1.01 -1.26 -4.78 116.67 114.47 2kps s ASP 79 Ca 0.35 -1.75 -0.02 0.00 0.71 0.00 0.00 52.55 51.84 2kps s ASP 79 Cb -0.01 0.60 -0.00 0.00 1.01 0.00 0.00 42.92 44.51 2kps s ASP 79 CO 0.24 -1.02 0.04 0.54 0.21 0.00 0.00 175.17 175.18 2kps s VAL 80 N -3.25 0.03 0.01 -1.27 0.11 -1.25 -4.76 120.40 110.02 2kps s VAL 80 Ca 0.28 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2kps s VAL 80 Cb 0.02 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 2kps s VAL 80 CO 0.20 -0.14 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.88 2kps s THR 81 N -0.41 0.39 0.00 5.04 2.01 -1.26 -2.28 115.64 119.12 2kps s THR 81 Ca -0.05 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.44 2kps s THR 81 Cb -0.03 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2kps s THR 81 CO -0.00 -0.10 0.00 -1.22 -0.69 0.00 0.00 174.62 172.61 2kps n TYR 82 N 2.40 -0.83 -4.39 4.92 4.01 -1.26 -5.02 117.16 116.99 2kps n TYR 82 Ca -0.17 -0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.29 2kps n TYR 82 Cb 0.57 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.47 2kps n TYR 82 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kps s THR 83 N -2.83 2.26 -0.01 -0.72 2.01 -1.26 -3.86 115.64 111.23 2kps s THR 83 Ca 0.00 -1.80 0.07 0.00 0.31 0.00 0.00 61.69 60.27 2kps s THR 83 Cb -0.00 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 2kps s THR 83 CO 0.00 0.05 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.99 2kps s LEU 84 N -2.16 2.05 -0.05 4.42 1.43 -0.90 -4.09 118.68 119.38 2kps s LEU 84 Ca 0.15 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 2kps s LEU 84 Cb -0.10 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 2kps s LEU 84 CO 0.07 0.28 -0.22 -1.59 0.23 0.00 0.00 176.35 175.12 2kps s LYS 85 N -0.60 2.50 0.41 1.70 -2.85 -1.06 -4.05 119.74 115.78 2kps s LYS 85 Ca 0.09 -0.85 -0.26 0.00 -1.00 0.00 0.00 55.97 53.95 2kps s LYS 85 Cb -0.09 -2.21 -0.10 0.00 -2.06 0.00 0.00 37.83 33.37 2kps s LYS 85 CO -0.01 0.46 1.34 0.00 0.10 0.00 0.00 175.35 177.25 2kps n ALA 86 N 2.74 1.63 -1.76 0.59 0.00 -1.26 -2.48 120.51 119.97 2kps n ALA 86 Ca -0.17 0.29 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 2kps n ALA 86 Cb 0.52 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.66 2kps n ALA 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kps n LYS 87 N 0.13 2.32 0.00 0.00 4.81 0.12 -4.79 118.16 120.75 2kps n LYS 87 Ca 0.05 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 2kps n LYS 87 Cb 0.39 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.82 2kps n LYS 87 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2kps n GLU 88 N -0.04 0.00 -1.64 1.64 2.13 -1.26 -4.97 120.64 116.50 2kps n GLU 88 Ca 0.04 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.46 2kps n GLU 88 Cb 0.41 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.13 2kps n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kps n ASP 89 N -0.12 1.55 -0.03 4.31 9.92 -1.26 -4.93 116.55 126.00 2kps n ASP 89 Ca 0.00 1.02 -0.17 0.00 -0.53 0.00 0.00 54.79 55.11 2kps n ASP 89 Cb 0.00 -1.40 -0.07 0.00 -0.64 0.00 0.00 41.12 39.01 2kps n ASP 89 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2kps h PRO 90 N 1.53 0.80 0.00 -0.24 0.13 -1.86 -3.45 132.00 128.92 2kps h PRO 90 Ca -0.46 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.02 2kps h PRO 90 Cb 1.33 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.59 2kps h PRO 90 CO 0.57 1.26 0.00 1.47 -0.23 0.00 0.00 178.00 181.06 2kps n LEU 91 N -3.94 0.00 0.00 1.56 -0.00 -1.26 -5.03 117.00 108.33 2kps n LEU 91 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2kps n LEU 91 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.16 2kps n LEU 91 CO 0.53 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 179.13 2kps n GLU 92 N -0.27 0.00 0.00 1.47 2.13 -1.26 -5.14 120.64 117.57 2kps n GLU 92 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kps n GLU 92 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2kps n GLU 92 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kps n HIS 93 N -1.57 0.00 -2.17 4.31 -0.00 -1.26 -5.02 115.22 109.51 2kps n HIS 93 Ca 0.00 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 2kps n HIS 93 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 2kps n HIS 93 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kps n HIS 94 N 0.00 0.00 -1.63 1.57 8.25 -1.26 -4.60 115.22 117.55 2kps n HIS 94 Ca 0.00 -0.42 -0.17 0.00 -0.26 0.00 0.00 57.72 56.87 2kps n HIS 94 Cb 0.00 0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 2kps n HIS 94 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kps s HIS 95 N 0.00 1.22 0.84 4.41 3.76 -1.26 -4.92 115.29 119.33 2kps s HIS 95 Ca 0.11 1.80 -0.11 0.00 -0.15 0.00 0.00 55.06 56.71 2kps s HIS 95 Cb 0.13 -3.52 0.10 0.00 1.11 0.00 0.00 32.58 30.40 2kps s HIS 95 CO -0.06 -1.66 1.14 -1.01 -0.85 0.00 0.00 174.74 172.31 2kps s HIS 96 N 14.04 1.96 -0.29 1.40 3.76 -1.26 -4.77 115.29 130.13 2kps s HIS 96 Ca 0.90 1.69 -0.15 0.00 -0.15 0.00 0.00 55.06 57.35 2kps s HIS 96 Cb -0.12 -3.29 0.11 0.00 1.11 0.00 0.00 32.58 30.39 2kps s HIS 96 CO 0.08 -2.49 0.79 -3.38 -0.85 0.00 0.00 174.74 168.89 2kps s HIS 97 N -2.57 -0.94 -2.00 1.40 -3.43 -1.26 -5.17 115.29 101.32 2kps s HIS 97 Ca 0.67 1.81 0.08 0.00 -0.80 0.00 0.00 55.06 56.82 2kps s HIS 97 Cb -0.23 0.56 0.49 0.00 -1.43 0.00 0.00 32.58 31.98 2kps s HIS 97 CO 0.54 -0.47 0.94 0.72 -2.00 0.00 0.00 174.74 174.48