#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kps s LYS 2 N 0.00 3.19 -0.05 2.12 2.20 -1.26 -4.96 119.74 120.98 2kps s LYS 2 Ca 0.00 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 2kps s LYS 2 Cb 0.00 -4.20 0.02 0.00 -1.51 0.00 0.00 37.83 32.14 2kps s LYS 2 CO 0.00 -2.05 -0.04 0.95 -0.36 0.00 0.00 175.35 173.86 2kps s THR 3 N 7.01 0.53 0.15 3.43 -4.23 -1.26 -5.03 115.64 116.23 2kps s THR 3 Ca 0.67 -0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.98 2kps s THR 3 Cb -0.16 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.12 2kps s THR 3 CO 0.28 0.24 1.59 -0.07 -0.54 0.00 0.00 174.62 176.12 2kps h LEU 4 N 7.48 0.89 -3.34 4.79 3.38 -2.05 -2.95 115.31 123.51 2kps h LEU 4 Ca -0.33 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 2kps h LEU 4 Cb 1.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2kps h LEU 4 CO 0.42 1.00 -0.08 -1.22 0.09 0.00 0.00 178.44 178.65 2kps n TYR 5 N -4.29 0.00 -0.05 1.13 4.01 -1.26 -4.23 117.16 112.48 2kps n TYR 5 Ca 0.01 -1.05 -0.16 0.00 -0.16 0.00 0.00 57.90 56.54 2kps n TYR 5 Cb 0.34 -0.75 -0.06 0.00 -0.31 0.00 0.00 39.34 38.56 2kps n TYR 5 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2kps h ASP 6 N 1.75 0.95 -6.23 7.72 2.03 -1.89 -3.41 116.42 117.35 2kps h ASP 6 Ca 0.05 -0.59 -0.30 0.00 -0.73 0.00 0.00 57.03 55.46 2kps h ASP 6 Cb 1.05 -0.28 0.01 0.00 -0.83 0.00 0.00 39.33 39.28 2kps h ASP 6 CO 0.07 1.37 -0.90 0.18 -1.03 0.00 0.00 179.24 178.93 2kps n LEU 7 N -3.99 -3.89 -4.76 0.15 4.32 -1.26 -3.47 117.00 104.10 2kps n LEU 7 Ca -0.06 -0.25 -0.41 0.00 -0.02 0.00 0.00 56.01 55.27 2kps n LEU 7 Cb 0.69 -2.16 -0.01 0.00 -1.62 0.00 0.00 43.42 40.31 2kps n LEU 7 CO 0.52 -0.48 1.21 -2.84 -1.22 0.00 0.00 177.39 174.58 2kps s PRO 8 N -3.25 4.10 0.10 3.23 0.02 -1.26 -4.69 135.00 133.26 2kps s PRO 8 Ca 0.21 2.60 0.08 0.00 0.02 0.00 0.00 61.00 63.90 2kps s PRO 8 Cb -0.03 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 2kps s PRO 8 CO 0.85 -0.61 -0.20 0.42 -0.33 0.00 0.00 177.00 177.13 2kps s ILE 9 N -0.44 1.63 -0.12 2.83 1.01 -1.26 -4.56 121.20 120.28 2kps s ILE 9 Ca 0.59 -1.53 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 2kps s ILE 9 Cb -0.48 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2kps s ILE 9 CO 0.54 -0.10 0.08 -0.69 0.00 0.00 0.00 174.94 174.77 2kps s VAL 10 N -1.24 5.03 -0.25 2.92 1.01 -1.26 -4.74 120.40 121.86 2kps s VAL 10 Ca 0.06 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2kps s VAL 10 Cb -0.10 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.17 2kps s VAL 10 CO 0.04 0.59 -0.06 -0.76 0.00 0.00 0.00 175.10 174.91 2kps s LEU 11 N -0.75 3.01 0.00 3.92 2.01 -1.26 -3.64 118.68 121.97 2kps s LEU 11 Ca 0.13 -1.34 0.00 0.00 0.01 0.00 0.00 54.13 52.93 2kps s LEU 11 Cb -0.12 -1.32 0.00 0.00 0.01 0.00 0.00 46.19 44.76 2kps s LEU 11 CO 0.03 -0.24 0.00 -2.11 1.01 0.00 0.00 176.35 175.04 2kps n ARG 12 N 4.57 0.36 0.00 1.70 1.85 -1.26 -4.73 116.66 119.14 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 0.43 -0.82 0.00 0.00 -1.05 0.00 0.00 32.46 31.02 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 -2.05 0.00 -4.64 2.89 4.13 -1.26 -4.51 115.26 109.82 2kps n ASN 13 Ca 0.00 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.86 2kps n ASN 13 Cb 0.32 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.49 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 -0.41 4.10 0.64 3.41 1.43 -1.26 -4.03 118.68 122.56 2kps s LEU 14 Ca 0.00 0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 53.58 2kps s LEU 14 Cb 0.00 -2.75 -0.11 0.00 0.03 0.00 0.00 46.19 43.36 2kps s LEU 14 CO 0.00 -0.26 0.02 -2.65 0.23 0.00 0.00 176.35 173.69 2kps n PRO 15 N 5.23 0.15 0.28 1.29 -0.02 -1.26 -4.77 135.00 135.89 2kps n PRO 15 Ca -0.03 0.06 0.19 0.00 -2.02 0.00 0.00 63.50 61.70 2kps n PRO 15 Cb 0.50 -1.30 0.93 0.00 -0.02 0.00 0.00 33.50 33.61 2kps n PRO 15 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2kps h GLU 16 N -0.20 0.00 -0.31 -0.52 4.11 -1.96 0.46 114.58 116.16 2kps h GLU 16 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kps h GLU 16 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2kps h GLU 16 CO 0.40 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.23 2kps n ASP 17 N -2.87 3.33 -4.14 3.06 8.00 -1.26 -4.86 116.55 117.80 2kps n ASP 17 Ca -0.01 -1.99 -0.15 0.00 0.71 0.00 0.00 54.79 53.35 2kps n ASP 17 Cb 0.13 -0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.61 2.33 0.20 0.64 2.96 0.15 -0.89 118.68 122.47 2kps s LEU 18 Ca 0.36 -0.69 -0.08 0.00 -0.22 0.00 0.00 54.13 53.50 2kps s LEU 18 Cb 0.22 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.58 2kps s LEU 18 CO 0.31 -0.20 0.31 0.68 -1.32 0.00 0.00 176.35 176.14 2kps s VAL 19 N -1.87 0.02 0.09 1.68 -7.23 -1.11 -4.34 120.40 107.65 2kps s VAL 19 Ca -0.01 -1.56 0.08 0.00 -1.81 0.00 0.00 61.98 58.68 2kps s VAL 19 Cb -0.07 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2kps s VAL 19 CO 0.01 -0.11 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.30 2kps s LEU 20 N -3.04 2.76 0.00 1.32 2.96 -1.26 -2.80 118.68 118.62 2kps s LEU 20 Ca 0.25 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 2kps s LEU 20 Cb 0.03 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2kps s LEU 20 CO 0.07 0.20 0.98 -1.84 -1.32 0.00 0.00 176.35 174.43 2kps n GLU 21 N 1.00 0.54 0.00 1.98 0.28 -1.26 -4.74 120.64 118.43 2kps n GLU 21 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 2kps n GLU 21 Cb 0.52 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.17 2kps n GLU 21 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2kps n LYS 22 N 1.53 0.00 0.00 3.44 4.81 -1.26 -4.67 118.16 122.02 2kps n LYS 22 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kps n LYS 22 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 2kps n LYS 22 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2kps n PRO 23 N 2.28 0.00 0.00 1.64 -0.02 -1.26 -4.78 135.00 132.87 2kps n PRO 23 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kps n PRO 23 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2kps n PRO 23 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kps n LEU 24 N -0.37 0.00 0.00 2.45 4.77 -1.26 -4.74 117.00 117.84 2kps n LEU 24 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kps n LEU 24 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kps n LEU 24 CO 0.00 0.00 0.06 -0.81 -1.33 0.00 0.00 177.39 175.31 2kps n PRO 25 N 0.00 0.00 -3.67 3.23 -0.04 -1.26 -4.87 135.00 128.39 2kps n PRO 25 Ca 0.00 0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.26 2kps n PRO 25 Cb 0.00 -0.65 -0.06 0.00 -0.04 0.00 0.00 33.50 32.75 2kps n PRO 25 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kps n GLU 26 N -0.59 -0.92 -2.73 0.54 4.07 -1.23 -4.88 120.64 114.91 2kps n GLU 26 Ca 0.00 0.07 -0.24 0.00 -0.06 0.00 0.00 57.16 56.93 2kps n GLU 26 Cb 0.00 -2.58 0.02 0.00 -0.06 0.00 0.00 31.44 28.82 2kps n GLU 26 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2kps s VAL 27 N -3.56 3.56 0.52 6.31 0.11 -1.26 -5.10 120.40 120.97 2kps s VAL 27 Ca 0.14 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 2kps s VAL 27 Cb -0.08 -3.35 0.02 0.00 -1.53 0.00 0.00 36.38 31.43 2kps s VAL 27 CO 0.67 -0.28 0.75 -0.44 -3.33 0.00 0.00 175.10 172.47 2kps s SER 28 N -4.30 5.49 -0.05 3.54 0.01 -1.26 -4.95 113.70 112.18 2kps s SER 28 Ca 0.52 0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.91 2kps s SER 28 Cb -0.10 -1.18 0.02 0.00 0.21 0.00 0.00 66.02 64.97 2kps s SER 28 CO 0.40 -0.99 0.12 -0.69 0.41 0.00 0.00 173.24 172.49 2kps s VAL 29 N -2.71 -0.01 -0.03 3.43 1.01 -1.26 -4.81 120.40 116.01 2kps s VAL 29 Ca 0.54 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.61 2kps s VAL 29 Cb -0.10 -0.18 0.07 0.00 0.00 0.00 0.00 36.38 36.17 2kps s VAL 29 CO 0.39 0.02 0.91 0.41 0.00 0.00 0.00 175.10 176.83 2kps n THR 30 N 3.36 0.58 -3.60 3.92 -1.04 -1.26 -5.08 114.28 111.16 2kps n THR 30 Ca -0.16 -0.67 -0.28 0.00 -2.04 0.00 0.00 64.05 60.90 2kps n THR 30 Cb 0.57 0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 69.50 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 -0.81 5.16 0.46 12.58 -1.09 -1.26 -4.69 121.20 131.55 2kps s ILE 31 Ca 0.07 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.29 2kps s ILE 31 Cb 0.06 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2kps s ILE 31 CO 0.01 -0.19 0.08 0.00 -1.23 0.00 0.00 174.94 173.60 2kps s ARG 32 N -3.33 2.08 0.19 2.79 1.70 -1.26 -5.10 118.95 116.02 2kps s ARG 32 Ca 0.40 -2.31 -0.23 0.00 -0.47 0.00 0.00 55.73 53.12 2kps s ARG 32 Cb -0.11 -1.01 0.05 0.00 -0.57 0.00 0.00 34.95 33.31 2kps s ARG 32 CO 0.29 -0.45 0.80 0.00 -1.08 0.00 0.00 175.30 174.86 2kps s ALA 33 N -3.05 -1.48 0.30 7.88 0.00 -1.26 -4.56 121.76 119.59 2kps s ALA 33 Ca 0.14 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 2kps s ALA 33 Cb 0.01 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.78 2kps s ALA 33 CO 0.09 -0.97 0.82 0.71 0.00 0.00 0.00 175.76 176.41 2kps s TYR 34 N -3.60 3.57 0.24 0.00 2.02 -1.26 -4.95 117.35 113.38 2kps s TYR 34 Ca 0.10 1.51 -0.11 0.00 -0.37 0.00 0.00 57.07 58.19 2kps s TYR 34 Cb -0.03 -2.73 0.32 0.00 -0.40 0.00 0.00 41.96 39.12 2kps s TYR 34 CO 0.01 0.20 1.60 -1.35 -1.57 0.00 0.00 175.55 174.44 2kps h PRO 35 N 2.97 -0.00 -0.08 -1.71 0.11 -2.02 -1.93 132.00 129.34 2kps h PRO 35 Ca -0.48 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 2kps h PRO 35 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 2kps h PRO 35 CO 0.65 -0.00 -0.49 0.93 -0.21 0.00 0.00 178.00 178.87 2kps h GLU 36 N -0.00 -0.54 -0.43 1.05 4.39 -1.99 0.57 114.58 117.63 2kps h GLU 36 Ca 0.37 0.04 0.12 0.00 0.34 0.00 0.00 59.36 60.23 2kps h GLU 36 Cb 0.57 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2kps h GLU 36 CO -0.80 -0.36 0.38 0.82 -1.16 0.00 0.00 179.01 177.88 2kps h ILE 37 N -0.56 0.55 -0.00 3.13 2.04 -1.80 0.83 117.51 121.70 2kps h ILE 37 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2kps h ILE 37 Cb 0.63 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2kps h ILE 37 CO -0.37 0.00 -0.28 0.18 0.00 0.00 0.00 178.15 177.67 2kps n LEU 38 N -4.03 0.62 0.01 1.44 4.77 0.71 -3.54 117.00 116.98 2kps n LEU 38 Ca 0.08 -0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2kps n LEU 38 Cb 0.57 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2kps n LEU 38 CO 0.32 0.13 0.39 -1.13 -1.33 0.00 0.00 177.39 175.76 2kps h ASN 39 N 0.52 -0.10 -0.92 -1.43 -1.24 0.57 -3.34 115.58 109.64 2kps h ASN 39 Ca 0.00 -0.49 -0.64 0.00 0.71 0.00 0.00 56.30 55.88 2kps h ASN 39 Cb 0.47 0.03 -0.33 0.00 0.73 0.00 0.00 38.32 39.21 2kps h ASN 39 CO 0.00 0.55 0.35 0.59 -1.29 0.00 0.00 177.43 177.63 2kps n ASN 40 N -4.83 6.84 -4.14 1.15 5.03 -1.20 -4.96 115.26 113.16 2kps n ASN 40 Ca -0.08 -3.78 -0.29 0.00 0.87 0.00 0.00 54.58 51.30 2kps n ASN 40 Cb 0.29 -0.78 -0.17 0.00 -1.02 0.00 0.00 39.78 38.10 2kps n ASN 40 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2kps s LEU 41 N -3.76 1.92 -0.04 3.41 0.20 -1.23 -5.07 118.68 114.11 2kps s LEU 41 Ca 0.61 -0.47 0.06 0.00 0.69 0.00 0.00 54.13 55.02 2kps s LEU 41 Cb 0.48 -1.20 -0.01 0.00 -0.43 0.00 0.00 46.19 45.02 2kps s LEU 41 CO 0.01 0.10 -0.23 0.28 -0.29 0.00 0.00 176.35 176.22 2kps s THR 42 N 0.54 1.87 0.52 3.68 -1.32 -1.26 -4.95 115.64 114.72 2kps s THR 42 Ca -0.15 -0.98 0.40 0.00 -1.21 0.00 0.00 61.69 59.74 2kps s THR 42 Cb -0.17 -1.57 0.60 0.00 -1.51 0.00 0.00 72.50 69.85 2kps s THR 42 CO 0.05 0.52 1.68 0.11 -2.21 0.00 0.00 174.62 174.78 2kps h LYS 43 N 5.92 0.04 0.00 7.08 1.79 -2.00 1.36 116.57 130.76 2kps h LYS 43 Ca -0.35 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2kps h LYS 43 Cb 1.16 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2kps h LYS 43 CO 0.47 0.03 -0.00 0.93 -1.08 0.00 0.00 179.45 179.80 2kps h GLU 44 N 0.04 0.00 0.01 3.15 5.08 -2.02 -2.40 114.58 118.45 2kps h GLU 44 Ca 0.76 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.09 2kps h GLU 44 Cb 2.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.11 2kps h GLU 44 CO -0.10 0.00 -0.11 0.37 -1.00 0.00 0.00 179.01 178.17 2kps h GLN 45 N 0.00 0.05 -6.11 2.33 4.15 0.14 -3.45 115.11 112.22 2kps h GLN 45 Ca -0.00 -0.07 -0.77 0.00 0.77 0.00 0.00 58.65 58.58 2kps h GLN 45 Cb 0.01 0.02 0.03 0.00 0.21 0.00 0.00 27.48 27.75 2kps h GLN 45 CO 0.00 0.96 0.63 -0.89 -1.93 0.00 0.00 178.83 177.60 2kps n ILE 46 N -4.58 0.12 -5.04 2.39 2.08 -0.90 -4.91 119.36 108.51 2kps n ILE 46 Ca -0.10 -0.02 -0.32 0.00 0.56 0.00 0.00 62.75 62.86 2kps n ILE 46 Cb 0.49 -0.78 -0.16 0.00 -0.75 0.00 0.00 39.64 38.44 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 2.27 3.48 0.08 4.38 0.01 -0.62 -4.99 113.70 118.30 2kps s SER 47 Ca 0.96 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.80 2kps s SER 47 Cb -1.19 -1.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2kps s SER 47 CO 0.65 0.18 -0.08 -0.76 0.41 0.00 0.00 173.24 173.64 2kps s LEU 48 N 0.22 2.37 -0.28 2.44 1.43 -1.26 -2.34 118.68 121.27 2kps s LEU 48 Ca -0.12 -0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 52.02 2kps s LEU 48 Cb -0.16 -0.20 0.08 0.00 0.03 0.00 0.00 46.19 45.94 2kps s LEU 48 CO 0.07 -0.29 0.74 0.86 0.23 0.00 0.00 176.35 177.96 2kps s TRP 49 N -2.33 -0.90 -0.15 0.29 -0.00 -1.26 -4.02 118.94 110.57 2kps s TRP 49 Ca 0.01 1.94 -0.06 0.00 -0.00 0.00 0.00 56.10 57.99 2kps s TRP 49 Cb -0.04 0.48 -0.04 0.00 -0.00 0.00 0.00 33.47 33.87 2kps s TRP 49 CO -0.01 -0.44 0.06 0.42 -0.00 0.00 0.00 176.95 176.98 2kps s ILE 50 N 1.12 4.81 -0.66 5.86 1.01 -1.24 -2.85 121.20 129.24 2kps s ILE 50 Ca -0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.38 2kps s ILE 50 Cb -0.05 -3.12 0.13 0.00 0.01 0.00 0.00 42.46 39.43 2kps s ILE 50 CO -0.12 0.52 0.73 1.51 0.00 0.00 0.00 174.94 177.58 2kps s ASP 51 N -0.14 6.34 -0.63 3.58 -4.77 -1.23 -4.60 116.67 115.23 2kps s ASP 51 Ca 0.07 -1.80 -0.02 0.00 -3.30 0.00 0.00 52.55 47.50 2kps s ASP 51 Cb -0.12 -2.28 0.36 0.00 -1.09 0.00 0.00 42.92 39.79 2kps s ASP 51 CO 0.01 -0.97 2.09 0.00 0.70 0.00 0.00 175.17 177.00 2kps n ALA 52 N 5.73 6.18 -2.63 2.11 0.00 -1.26 -4.72 120.51 125.92 2kps n ALA 52 Ca -0.02 -3.27 -0.43 0.00 0.00 0.00 0.00 53.44 49.72 2kps n ALA 52 Cb 0.44 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 -4.26 4.52 0.00 0.00 -4.23 -1.26 -3.09 115.64 107.31 2kps s THR 53 Ca 0.56 1.76 0.00 0.00 -1.18 0.00 0.00 61.69 62.83 2kps s THR 53 Cb 0.44 -4.40 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2kps s THR 53 CO -0.11 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 2kps n GLY 54 N 3.82 2.83 3.34 3.99 0.00 -1.26 -5.07 105.19 112.85 2kps n GLY 54 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2kps n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kps n LYS 55 N -1.82 -1.62 -2.77 1.61 4.01 -1.18 -5.04 118.16 111.35 2kps n LYS 55 Ca 0.00 -0.45 -0.05 0.00 -0.51 0.00 0.00 58.31 57.30 2kps n LYS 55 Cb 0.00 -1.83 0.02 0.00 -0.51 0.00 0.00 35.03 32.71 2kps n LYS 55 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kps n ALA 56 N -4.45 -1.21 -1.75 7.82 0.00 -1.26 -4.92 120.51 114.74 2kps n ALA 56 Ca 0.02 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 2kps n ALA 56 Cb 0.59 0.59 -0.00 0.00 0.00 0.00 0.00 19.45 20.62 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 -0.36 1.90 0.00 0.00 0.31 -1.26 -4.82 118.33 114.10 2kps n VAL 57 Ca -0.05 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2kps n VAL 57 Cb 0.37 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 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 0.73 2.59 3.68 2.92 0.00 -1.25 -5.01 105.19 108.85 2kps n GLY 58 Ca 0.03 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 2kps n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kps s GLU 59 N -2.45 4.32 -0.02 1.61 2.02 -1.26 -3.88 118.70 119.04 2kps s GLU 59 Ca 0.00 1.59 -0.09 0.00 0.02 0.00 0.00 54.97 56.49 2kps s GLU 59 Cb 0.00 -3.62 0.01 0.00 0.10 0.00 0.00 34.13 30.62 2kps s GLU 59 CO 0.00 -0.51 0.20 -1.01 0.02 0.00 0.00 175.26 173.95 2kps s HIS 60 N 2.62 -0.06 0.26 1.61 3.76 -1.21 -5.01 115.29 117.25 2kps s HIS 60 Ca 0.53 0.09 -0.22 0.00 -0.15 0.00 0.00 55.06 55.32 2kps s HIS 60 Cb -0.22 0.01 -0.09 0.00 1.11 0.00 0.00 32.58 33.39 2kps s HIS 60 CO 0.18 -0.29 0.80 0.99 -0.85 0.00 0.00 174.74 175.57 2kps s THR 61 N -1.12 4.45 -0.02 1.30 2.01 -1.26 -3.90 115.64 117.10 2kps s THR 61 Ca -0.12 1.47 0.04 0.00 0.31 0.00 0.00 61.69 63.39 2kps s THR 61 Cb -0.06 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2kps s THR 61 CO 0.02 0.18 -0.13 0.68 -0.69 0.00 0.00 174.62 174.68 2kps s VAL 62 N -1.56 1.07 0.23 3.82 -7.23 -0.64 -5.02 120.40 111.06 2kps s VAL 62 Ca 0.46 -0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 59.99 2kps s VAL 62 Cb -0.17 -0.91 -0.07 0.00 0.56 0.00 0.00 36.38 35.80 2kps s VAL 62 CO 0.22 0.31 0.53 -0.54 -0.31 0.00 0.00 175.10 175.30 2kps s LYS 63 N -0.16 3.74 0.00 4.82 1.02 -1.26 -3.27 119.74 124.64 2kps s LYS 63 Ca 0.02 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.19 2kps s LYS 63 Cb -0.07 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 2kps s LYS 63 CO 0.00 0.32 0.00 -0.89 -0.92 0.00 0.00 175.35 173.86 2kps n ILE 64 N -0.25 0.00 -0.04 2.17 2.08 -1.26 -3.51 119.36 118.55 2kps n ILE 64 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2kps n ILE 64 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 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 0.00 -1.99 1.39 9.36 -1.13 -4.17 117.16 120.61 2kps n TYR 65 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2kps n TYR 65 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2kps n TYR 65 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 2kps n TRP 66 N 0.00 -5.07 -3.18 2.98 -0.00 -1.26 -4.99 117.44 105.92 2kps n TRP 66 Ca 0.00 2.74 0.01 0.00 -0.00 0.00 0.00 57.50 60.25 2kps n TRP 66 Cb 0.00 -3.78 -0.01 0.00 -0.00 0.00 0.00 31.31 27.53 2kps n TRP 66 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2kps s GLN 67 N -1.68 0.75 0.05 5.87 -0.44 -0.99 -4.95 119.66 118.27 2kps s GLN 67 Ca 0.00 -0.14 0.02 0.00 -2.50 0.00 0.00 55.36 52.75 2kps s GLN 67 Cb 0.00 0.12 -0.03 0.00 -1.64 0.00 0.00 33.01 31.46 2kps s GLN 67 CO 0.00 -1.12 -0.08 -0.48 0.50 0.00 0.00 175.29 174.11 2kps s LEU 68 N 2.00 2.27 0.00 3.68 0.05 -1.26 -1.59 118.68 123.83 2kps s LEU 68 Ca 0.15 -0.58 0.29 0.00 0.05 0.00 0.00 54.13 54.04 2kps s LEU 68 Cb -0.05 -0.17 1.32 0.00 -2.05 0.00 0.00 46.19 45.25 2kps s LEU 68 CO -0.10 -0.22 1.90 -0.81 -0.55 0.00 0.00 176.35 176.57 2kps n PRO 69 N 1.36 1.21 -1.95 1.48 -0.04 -1.26 -4.89 135.00 130.90 2kps n PRO 69 Ca -0.22 -0.49 -0.29 0.00 -0.04 0.00 0.00 63.50 62.46 2kps n PRO 69 Cb 0.55 -1.49 0.11 0.00 -0.04 0.00 0.00 33.50 32.63 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 -2.13 2.63 -0.30 0.55 0.00 -1.26 -5.02 121.76 116.22 2kps s ALA 70 Ca 0.38 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.59 2kps s ALA 70 Cb 0.21 -2.86 0.46 0.00 0.00 0.00 0.00 23.12 20.92 2kps s ALA 70 CO 0.39 -1.80 1.27 0.41 0.00 0.00 0.00 175.76 176.02 2kps n GLY 71 N -3.37 6.05 3.71 0.00 0.00 -1.26 -5.06 105.19 105.26 2kps n GLY 71 Ca 0.10 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 2kps n GLY 71 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kps s ILE 72 N -4.28 1.77 -0.21 -0.61 -4.36 -1.26 -5.05 121.20 107.20 2kps s ILE 72 Ca 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.84 2kps s ILE 72 Cb 0.41 -2.66 -0.01 0.00 1.25 0.00 0.00 42.46 41.44 2kps s ILE 72 CO 0.01 0.00 -0.04 -1.61 0.24 0.00 0.00 174.94 173.55 2kps s GLU 73 N -5.53 3.43 -0.47 0.37 2.02 -1.26 -5.06 118.70 112.19 2kps s GLU 73 Ca 0.71 -0.61 -0.28 0.00 0.02 0.00 0.00 54.97 54.82 2kps s GLU 73 Cb -0.09 -3.01 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 2kps s GLU 73 CO 0.55 -0.14 1.70 -1.64 0.02 0.00 0.00 175.26 175.75 2kps s MET 74 N 1.34 3.12 -0.13 1.61 -1.94 -1.26 -4.63 119.30 117.41 2kps s MET 74 Ca 0.04 0.92 -0.29 0.00 -1.71 0.00 0.00 55.69 54.66 2kps s MET 74 Cb -0.14 -4.23 -0.25 0.00 2.01 0.00 0.00 34.83 32.22 2kps s MET 74 CO -0.02 -2.13 0.83 0.28 -0.01 0.00 0.00 175.02 173.97 2kps h VAL 75 N 6.72 1.75 -4.10 -6.03 2.07 -1.97 -3.48 116.25 111.20 2kps h VAL 75 Ca -0.29 -2.22 -0.12 0.00 0.82 0.00 0.00 66.70 64.89 2kps h VAL 75 Cb 1.14 3.26 -0.15 0.00 -1.52 0.00 0.00 31.29 34.02 2kps h VAL 75 CO 1.13 0.58 -0.60 -0.55 0.02 0.00 0.00 177.57 178.14 2kps s SER 76 N -6.18 0.38 -0.36 0.57 0.15 -1.26 -5.10 113.70 101.89 2kps s SER 76 Ca -0.19 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 55.60 2kps s SER 76 Cb -0.02 0.23 0.10 0.00 -1.71 0.00 0.00 66.02 64.61 2kps s SER 76 CO 0.69 -0.61 0.10 -0.51 1.20 0.00 0.00 173.24 174.12 2kps s ILE 77 N -3.70 2.74 0.61 6.45 1.10 -1.26 -4.85 121.20 122.28 2kps s ILE 77 Ca 0.05 -2.13 -0.14 0.00 -0.51 0.00 0.00 60.65 57.92 2kps s ILE 77 Cb 0.06 -2.91 -0.03 0.00 0.15 0.00 0.00 42.46 39.73 2kps s ILE 77 CO -0.09 -0.58 1.04 -2.16 -2.11 0.00 0.00 174.94 171.03 2kps s PRO 78 N 1.03 3.40 0.35 3.50 0.04 -1.26 -5.05 135.00 137.00 2kps s PRO 78 Ca 0.08 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.14 2kps s PRO 78 Cb -0.21 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2kps s PRO 78 CO -0.06 -0.73 0.11 0.16 0.04 0.00 0.00 177.00 176.52 2kps s ASP 79 N -3.41 2.27 0.02 6.66 -4.77 -1.26 -4.52 116.67 111.66 2kps s ASP 79 Ca 0.59 -1.52 -0.04 0.00 -3.30 0.00 0.00 52.55 48.28 2kps s ASP 79 Cb -0.13 0.26 -0.01 0.00 -1.09 0.00 0.00 42.92 41.94 2kps s ASP 79 CO 0.44 -0.80 0.06 0.54 0.70 0.00 0.00 175.17 176.11 2kps s VAL 80 N -3.37 0.11 0.03 2.11 0.11 -1.20 -4.91 120.40 113.28 2kps s VAL 80 Ca 0.31 -0.89 0.02 0.00 -2.93 0.00 0.00 61.98 58.50 2kps s VAL 80 Cb 0.06 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 2kps s VAL 80 CO 0.15 -0.49 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.47 2kps s THR 81 N -1.71 0.57 0.17 5.04 2.01 -1.26 -1.62 115.64 118.84 2kps s THR 81 Ca -0.13 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 2kps s THR 81 Cb -0.07 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 71.90 2kps s THR 81 CO -0.01 -0.18 0.42 -1.22 -0.69 0.00 0.00 174.62 172.94 2kps n TYR 82 N 1.99 -1.51 -4.33 4.92 4.01 -1.25 -5.04 117.16 115.96 2kps n TYR 82 Ca -0.19 -0.85 -0.33 0.00 -0.16 0.00 0.00 57.90 56.37 2kps n TYR 82 Cb 0.56 0.42 -0.09 0.00 -0.31 0.00 0.00 39.34 39.92 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 -2.50 4.20 -0.11 -0.72 2.01 -1.26 -3.30 115.64 113.96 2kps s THR 83 Ca 0.09 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2kps s THR 83 Cb -0.02 -2.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 2kps s THR 83 CO 0.05 0.46 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.57 2kps s LEU 84 N -1.30 2.86 -0.11 4.42 1.43 -1.25 -4.09 118.68 120.64 2kps s LEU 84 Ca 0.17 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2kps s LEU 84 Cb -0.11 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2kps s LEU 84 CO 0.07 0.24 -0.13 -1.59 0.23 0.00 0.00 176.35 175.17 2kps s LYS 85 N -0.07 3.12 0.58 1.70 -2.85 -1.12 -3.89 119.74 117.21 2kps s LYS 85 Ca -0.01 -0.69 -0.19 0.00 -1.00 0.00 0.00 55.97 54.08 2kps s LYS 85 Cb -0.14 -2.56 -0.05 0.00 -2.06 0.00 0.00 37.83 33.03 2kps s LYS 85 CO 0.03 0.34 1.05 0.00 0.10 0.00 0.00 175.35 176.88 2kps n ALA 86 N 3.15 0.46 -1.78 0.59 0.00 -1.26 -2.74 120.51 118.93 2kps n ALA 86 Ca -0.18 0.04 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 2kps n ALA 86 Cb 0.53 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 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 -2.77 3.64 0.00 0.00 2.20 -0.07 -4.79 119.74 117.95 2kps s LYS 87 Ca 0.75 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 2kps s LYS 87 Cb -0.42 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 2kps s LYS 87 CO 0.47 -0.61 0.00 -1.91 -0.36 0.00 0.00 175.35 172.94 2kps n GLU 88 N -0.85 0.00 -3.79 4.03 4.07 -1.26 -4.94 120.64 117.89 2kps n GLU 88 Ca 0.09 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.84 2kps n GLU 88 Cb 0.50 -0.01 -0.05 0.00 -0.06 0.00 0.00 31.44 31.82 2kps n GLU 88 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2kps s ASP 89 N -1.03 6.47 0.10 4.31 1.47 -1.26 -5.02 116.67 121.71 2kps s ASP 89 Ca 0.00 0.52 -0.13 0.00 1.18 0.00 0.00 52.55 54.12 2kps s ASP 89 Cb 0.00 -2.07 -0.14 0.00 -0.34 0.00 0.00 42.92 40.37 2kps s ASP 89 CO 0.00 0.27 1.33 1.55 0.68 0.00 0.00 175.17 179.00 2kps h PRO 90 N 4.08 0.80 0.00 2.11 0.13 -2.02 -3.42 132.00 133.68 2kps h PRO 90 Ca -0.50 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.02 2kps h PRO 90 Cb 1.20 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2kps h PRO 90 CO 0.66 1.22 -0.16 1.28 -0.23 0.00 0.00 178.00 180.77 2kps n LEU 91 N -3.99 0.82 -3.55 1.56 4.77 -1.26 -5.13 117.00 110.22 2kps n LEU 91 Ca -0.07 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 2kps n LEU 91 Cb 0.69 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 2kps n LEU 91 CO 0.52 -0.58 0.67 -0.70 -1.33 0.00 0.00 177.39 175.96 2kps s GLU 92 N -1.76 0.76 0.89 3.23 2.12 -1.26 -5.16 118.70 117.53 2kps s GLU 92 Ca -0.05 0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.25 2kps s GLU 92 Cb 0.01 0.36 0.08 0.00 0.26 0.00 0.00 34.13 34.83 2kps s GLU 92 CO 0.07 -0.26 0.82 0.72 -0.54 0.00 0.00 175.26 176.07 2kps n HIS 93 N 0.60 -0.11 -3.01 5.30 8.25 -1.26 -4.98 115.22 120.01 2kps n HIS 93 Ca -0.12 0.33 -0.15 0.00 -0.26 0.00 0.00 57.72 57.52 2kps n HIS 93 Cb 0.58 -1.93 0.01 0.00 1.12 0.00 0.00 29.99 29.77 2kps n HIS 93 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kps n HIS 94 N -3.66 -0.28 -2.90 4.41 -0.00 -1.26 -5.04 115.22 106.50 2kps n HIS 94 Ca 0.10 -3.31 -0.00 0.00 -0.00 0.00 0.00 57.72 54.51 2kps n HIS 94 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2kps n HIS 94 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kps n HIS 95 N 0.20 -2.49 -0.25 4.41 8.25 -1.26 -4.87 115.22 119.22 2kps n HIS 95 Ca 0.18 1.11 -0.06 0.00 -0.26 0.00 0.00 57.72 58.70 2kps n HIS 95 Cb 0.70 -2.87 0.05 0.00 1.12 0.00 0.00 29.99 28.99 2kps n HIS 95 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kps h HIS 96 N 3.30 0.92 0.00 4.41 2.76 -2.02 -3.44 115.15 121.07 2kps h HIS 96 Ca -0.01 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2kps h HIS 96 Cb 0.39 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2kps h HIS 96 CO 0.01 0.64 0.00 1.58 -1.30 0.00 0.00 177.93 178.86 2kps n HIS 97 N -4.53 0.00 -1.70 5.26 -0.00 -1.26 -5.31 115.22 107.68 2kps n HIS 97 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2kps n HIS 97 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 2kps n HIS 97 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06