#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kps h LYS 2 N 0.00 0.00 -5.68 3.17 2.10 -2.13 -3.48 116.57 110.55 2kps h LYS 2 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kps h LYS 2 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2kps h LYS 2 CO 0.00 0.00 -0.97 0.25 -2.00 0.00 0.00 179.45 176.73 2kps n THR 3 N -2.57 -7.32 -2.18 0.07 -2.24 -1.26 -4.99 114.28 93.79 2kps n THR 3 Ca 0.04 1.29 -0.06 0.00 -2.27 0.00 0.00 64.05 63.05 2kps n THR 3 Cb 0.38 -4.97 -0.02 0.00 -2.10 0.00 0.00 70.33 63.62 2kps n THR 3 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2kps n LEU 4 N 1.26 -1.12 -2.98 3.22 0.00 -1.26 -5.00 117.00 111.12 2kps n LEU 4 Ca -0.06 -2.33 -0.15 0.00 0.00 0.00 0.00 56.01 53.48 2kps n LEU 4 Cb 0.27 0.03 0.02 0.00 0.00 0.00 0.00 43.42 43.73 2kps n LEU 4 CO 0.23 1.56 0.01 0.00 0.00 0.00 0.00 177.39 179.18 2kps n TYR 5 N -0.42 -1.30 0.08 1.96 4.11 -1.26 -4.95 117.16 115.37 2kps n TYR 5 Ca -0.25 -3.00 0.00 0.00 -0.00 0.00 0.00 57.90 54.66 2kps n TYR 5 Cb 0.75 0.51 0.32 0.00 -0.00 0.00 0.00 39.34 40.92 2kps n TYR 5 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 2kps h ASP 6 N 3.20 0.31 -2.78 9.48 3.58 -1.97 -3.32 116.42 124.91 2kps h ASP 6 Ca 0.00 -0.08 -0.63 0.00 0.42 0.00 0.00 57.03 56.75 2kps h ASP 6 Cb 1.01 -0.08 -0.41 0.00 1.72 0.00 0.00 39.33 41.57 2kps h ASP 6 CO 0.35 0.51 -0.49 0.18 -2.88 0.00 0.00 179.24 176.90 2kps n LEU 7 N -4.21 3.52 -4.56 2.28 4.77 -1.26 -4.90 117.00 112.64 2kps n LEU 7 Ca -0.00 -5.29 -0.40 0.00 -0.03 0.00 0.00 56.01 50.28 2kps n LEU 7 Cb 0.32 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 2kps n LEU 7 CO 0.39 1.84 1.31 -2.16 -1.33 0.00 0.00 177.39 177.44 2kps s PRO 8 N -1.87 3.07 0.09 3.23 0.04 -1.25 -4.66 135.00 133.65 2kps s PRO 8 Ca 0.31 0.16 -0.21 0.00 0.04 0.00 0.00 61.00 61.30 2kps s PRO 8 Cb 0.03 -4.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.28 2kps s PRO 8 CO -0.10 -2.24 0.62 0.42 0.04 0.00 0.00 177.00 175.74 2kps s ILE 9 N 6.69 4.67 -0.04 0.56 1.01 -1.26 -4.81 121.20 128.01 2kps s ILE 9 Ca 0.48 1.34 0.02 0.00 0.00 0.00 0.00 60.65 62.49 2kps s ILE 9 Cb -0.10 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 2kps s ILE 9 CO 0.19 0.53 -0.07 -0.69 0.00 0.00 0.00 174.94 174.90 2kps s VAL 10 N -1.00 3.67 0.13 2.92 1.01 -1.25 -4.84 120.40 121.04 2kps s VAL 10 Ca 0.31 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.80 2kps s VAL 10 Cb -0.20 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2kps s VAL 10 CO 0.21 0.53 -0.23 -0.76 0.00 0.00 0.00 175.10 174.85 2kps s LEU 11 N -1.01 2.34 0.00 3.92 1.43 -1.26 -3.14 118.68 120.96 2kps s LEU 11 Ca 0.14 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2kps s LEU 11 Cb -0.11 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2kps s LEU 11 CO 0.03 0.09 0.00 -2.11 0.23 0.00 0.00 176.35 174.59 2kps n ARG 12 N 0.82 0.00 0.00 1.70 1.85 -1.26 -4.91 116.66 114.85 2kps n ARG 12 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 2kps n ARG 12 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 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 -1.39 0.00 -4.69 2.89 4.13 -1.26 -4.59 115.26 110.36 2kps n ASN 13 Ca 0.00 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.87 2kps n ASN 13 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 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 -0.25 4.21 0.50 3.41 1.43 -1.26 -3.86 118.68 122.86 2kps s LEU 14 Ca 0.00 0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 53.78 2kps s LEU 14 Cb 0.00 -2.86 -0.10 0.00 0.03 0.00 0.00 46.19 43.26 2kps s LEU 14 CO 0.00 -0.17 0.68 -2.65 0.23 0.00 0.00 176.35 174.45 2kps n PRO 15 N 4.43 0.75 0.23 1.29 -0.02 -1.26 -4.82 135.00 135.60 2kps n PRO 15 Ca -0.03 0.28 0.16 0.00 -2.02 0.00 0.00 63.50 61.88 2kps n PRO 15 Cb 0.51 -1.77 0.80 0.00 -0.02 0.00 0.00 33.50 33.02 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 0.70 0.00 -0.19 -0.52 5.08 -1.96 0.54 114.58 118.23 2kps h GLU 16 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2kps h GLU 16 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2kps h GLU 16 CO 0.51 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.27 2kps n ASP 17 N -2.59 2.86 -4.12 1.42 8.00 -1.26 -4.84 116.55 116.01 2kps n ASP 17 Ca -0.01 -1.91 -0.14 0.00 0.71 0.00 0.00 54.79 53.44 2kps n ASP 17 Cb 0.09 -0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.74 2.34 0.22 0.64 2.96 0.18 -1.84 118.68 121.44 2kps s LEU 18 Ca 0.34 -0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 2kps s LEU 18 Cb 0.21 -0.23 -0.01 0.00 0.50 0.00 0.00 46.19 46.66 2kps s LEU 18 CO 0.31 -0.25 0.37 0.68 -1.32 0.00 0.00 176.35 176.14 2kps s VAL 19 N -2.05 0.01 0.02 1.68 -7.23 -0.80 -4.45 120.40 107.58 2kps s VAL 19 Ca -0.01 -1.51 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 2kps s VAL 19 Cb -0.05 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 2kps s VAL 19 CO -0.00 -0.05 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.32 2kps s LEU 20 N -3.04 2.11 0.00 1.32 2.96 -1.26 -2.12 118.68 118.65 2kps s LEU 20 Ca 0.25 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2kps s LEU 20 Cb 0.02 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.74 2kps s LEU 20 CO 0.08 0.19 0.83 -1.84 -1.32 0.00 0.00 176.35 174.29 2kps n GLU 21 N 2.20 0.44 0.00 1.98 0.28 -1.26 -4.78 120.64 119.50 2kps n GLU 21 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 2kps n GLU 21 Cb 0.53 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 32.12 2kps n GLU 21 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kps n LYS 22 N 1.67 0.00 -0.02 3.44 5.02 -1.26 -4.85 118.16 122.16 2kps n LYS 22 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 2kps n LYS 22 Cb 0.22 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.21 2kps n LYS 22 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2kps h PRO 23 N 0.00 -0.14 -3.48 1.97 0.13 -1.88 -3.48 132.00 125.12 2kps h PRO 23 Ca 0.00 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 2kps h PRO 23 Cb 0.00 0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.17 2kps h PRO 23 CO 0.00 -0.09 -0.02 -0.11 -0.23 0.00 0.00 178.00 177.54 2kps n LEU 24 N -5.29 -2.93 0.00 1.56 7.94 -1.26 -4.90 117.00 112.11 2kps n LEU 24 Ca -0.02 -0.03 0.06 0.00 -1.11 0.00 0.00 56.01 54.91 2kps n LEU 24 Cb 0.21 -1.41 0.35 0.00 0.53 0.00 0.00 43.42 43.09 2kps n LEU 24 CO 0.21 -0.19 0.56 -0.81 -1.11 0.00 0.00 177.39 176.04 2kps n PRO 25 N -1.25 0.45 0.00 1.96 -0.04 -1.26 -4.49 135.00 130.38 2kps n PRO 25 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kps n PRO 25 Cb 0.50 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2kps n PRO 25 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kps n GLU 26 N -0.90 0.00 -3.29 0.54 -0.58 -1.26 -4.69 120.64 110.46 2kps n GLU 26 Ca 0.09 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.64 2kps n GLU 26 Cb 0.04 -1.16 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 2kps n GLU 26 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2kps n VAL 27 N 2.46 0.00 -4.21 2.62 0.24 -1.26 -5.17 118.33 113.01 2kps n VAL 27 Ca 0.00 -1.48 -0.19 0.00 -2.04 0.00 0.00 64.34 60.63 2kps n VAL 27 Cb 0.00 -0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.25 2kps n VAL 27 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kps s SER 28 N -3.01 1.89 0.23 -1.34 1.04 -1.26 -5.10 113.70 106.15 2kps s SER 28 Ca 0.13 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.88 2kps s SER 28 Cb -0.01 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 2kps s SER 28 CO 0.08 -0.10 -0.02 0.68 0.98 0.00 0.00 173.24 174.86 2kps s VAL 29 N -1.70 1.11 -0.07 5.02 -7.23 -1.26 -4.72 120.40 111.56 2kps s VAL 29 Ca 0.04 -2.05 0.13 0.00 -1.81 0.00 0.00 61.98 58.30 2kps s VAL 29 Cb -0.07 -2.31 0.26 0.00 0.56 0.00 0.00 36.38 34.82 2kps s VAL 29 CO 0.03 -0.36 1.12 0.41 -0.31 0.00 0.00 175.10 175.99 2kps n THR 30 N -0.41 0.80 -3.74 5.32 -1.04 -1.26 -5.07 114.28 108.87 2kps n THR 30 Ca -0.06 -1.35 -0.37 0.00 -2.04 0.00 0.00 64.05 60.23 2kps n THR 30 Cb 0.63 0.35 -0.06 0.00 -1.82 0.00 0.00 70.33 69.43 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 -1.19 5.37 -0.15 12.58 -1.09 -1.26 -4.74 121.20 130.71 2kps s ILE 31 Ca 0.23 0.38 -0.05 0.00 -2.23 0.00 0.00 60.65 58.99 2kps s ILE 31 Cb 0.24 -3.50 0.07 0.00 -1.58 0.00 0.00 42.46 37.69 2kps s ILE 31 CO -0.06 0.56 0.27 -0.13 -1.23 0.00 0.00 174.94 174.36 2kps s ARG 32 N -0.71 0.18 0.00 2.79 0.52 -1.26 -5.13 118.95 115.33 2kps s ARG 32 Ca 0.16 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 2kps s ARG 32 Cb -0.13 -0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.16 2kps s ARG 32 CO 0.05 -0.35 0.00 0.00 0.02 0.00 0.00 175.30 175.02 2kps n ALA 33 N 5.35 0.00 -1.80 2.13 0.00 -1.26 -4.93 120.51 120.00 2kps n ALA 33 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 2kps n ALA 33 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.06 3.60 0.27 0.00 1.51 -1.26 -4.90 117.35 116.51 2kps s TYR 34 Ca 0.00 1.70 0.00 0.00 -1.01 0.00 0.00 57.07 57.76 2kps s TYR 34 Cb 0.00 -3.27 0.63 0.00 -0.11 0.00 0.00 41.96 39.21 2kps s TYR 34 CO 0.00 -0.51 1.67 -1.35 -1.11 0.00 0.00 175.55 174.25 2kps h PRO 35 N 4.02 0.27 0.30 -1.71 0.11 -1.97 -0.55 132.00 132.47 2kps h PRO 35 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kps h PRO 35 Cb 1.21 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2kps h PRO 35 CO 0.68 0.18 -0.29 0.93 -0.21 0.00 0.00 178.00 179.28 2kps h GLU 36 N 0.28 -0.60 0.00 1.05 3.07 -1.99 0.94 114.58 117.33 2kps h GLU 36 Ca 0.51 0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.39 2kps h GLU 36 Cb 0.96 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2kps h GLU 36 CO -0.58 -0.40 -0.08 0.82 -1.40 0.00 0.00 179.01 177.37 2kps h ILE 37 N -0.62 0.47 0.00 3.13 2.04 -1.77 -1.79 117.51 118.97 2kps h ILE 37 Ca -0.01 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 2kps h ILE 37 Cb 0.57 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2kps h ILE 37 CO -0.06 0.08 -0.96 -0.07 0.00 0.00 0.00 178.15 177.14 2kps h LEU 38 N 0.00 0.00 -0.69 1.44 3.38 -0.18 -3.25 115.31 116.01 2kps h LEU 38 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2kps h LEU 38 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2kps h LEU 38 CO 0.01 0.36 0.20 0.78 0.09 0.00 0.00 178.44 179.88 2kps h ASN 39 N 0.00 1.02 -0.59 -0.43 -0.26 0.18 -3.10 115.58 112.40 2kps h ASN 39 Ca -0.07 -0.22 -0.31 0.00 -0.56 0.00 0.00 56.30 55.14 2kps h ASN 39 Cb 1.34 -0.27 -0.18 0.00 -1.06 0.00 0.00 38.32 38.15 2kps h ASN 39 CO 0.03 0.96 0.16 -3.20 -1.06 0.00 0.00 177.43 174.33 2kps n ASN 40 N -4.30 3.02 -4.46 5.81 2.85 -1.21 -4.98 115.26 111.99 2kps n ASN 40 Ca 0.05 -3.74 -0.33 0.00 -0.11 0.00 0.00 54.58 50.45 2kps n ASN 40 Cb 0.23 -0.71 -0.13 0.00 1.24 0.00 0.00 39.78 40.41 2kps n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2kps s LEU 41 N -3.29 2.86 -0.06 1.20 0.20 -1.18 -5.08 118.68 113.33 2kps s LEU 41 Ca 0.49 -0.21 0.05 0.00 0.69 0.00 0.00 54.13 55.15 2kps s LEU 41 Cb 0.43 -1.62 -0.00 0.00 -0.43 0.00 0.00 46.19 44.56 2kps s LEU 41 CO 0.03 0.26 -0.21 0.28 -0.29 0.00 0.00 176.35 176.42 2kps s THR 42 N -0.20 1.74 0.53 3.68 -1.32 -1.26 -4.97 115.64 113.84 2kps s THR 42 Ca 0.01 -0.88 0.41 0.00 -1.21 0.00 0.00 61.69 60.02 2kps s THR 42 Cb -0.13 -1.49 0.62 0.00 -1.51 0.00 0.00 72.50 69.99 2kps s THR 42 CO 0.03 0.49 1.68 0.07 -2.21 0.00 0.00 174.62 174.68 2kps h LYS 43 N 6.27 0.03 -0.00 7.08 2.10 -1.96 1.18 116.57 131.26 2kps h LYS 43 Ca -0.31 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2kps h LYS 43 Cb 1.18 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2kps h LYS 43 CO 0.47 0.02 0.02 1.05 -2.00 0.00 0.00 179.45 179.01 2kps h GLU 44 N 0.03 0.00 0.04 0.07 -0.00 -1.95 -2.63 114.58 110.14 2kps h GLU 44 Ca 0.76 0.00 -0.22 0.00 -0.00 0.00 0.00 59.36 59.90 2kps h GLU 44 Cb 2.93 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 31.66 2kps h GLU 44 CO -0.07 0.00 -1.17 0.37 -0.00 0.00 0.00 179.01 178.14 2kps h GLN 45 N 0.00 0.08 -6.03 1.06 5.75 0.10 -3.47 115.11 112.60 2kps h GLN 45 Ca 0.00 -0.13 -0.80 0.00 -0.15 0.00 0.00 58.65 57.56 2kps h GLN 45 Cb 0.05 0.05 0.04 0.00 1.07 0.00 0.00 27.48 28.68 2kps h GLN 45 CO -0.00 1.06 0.32 -0.89 -2.65 0.00 0.00 178.83 176.68 2kps n ILE 46 N -4.27 0.01 -3.17 2.39 2.08 -0.99 -4.89 119.36 110.52 2kps n ILE 46 Ca -0.27 -0.00 -0.39 0.00 0.56 0.00 0.00 62.75 62.65 2kps n ILE 46 Cb 0.73 -0.28 -0.05 0.00 -0.75 0.00 0.00 39.64 39.29 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 1.11 6.82 -0.02 4.38 0.01 -1.10 -5.03 113.70 119.86 2kps s SER 47 Ca 0.95 0.98 -0.00 0.00 1.31 0.00 0.00 55.95 59.19 2kps s SER 47 Cb -1.30 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 62.61 2kps s SER 47 CO 0.64 -0.09 0.04 -0.76 0.41 0.00 0.00 173.24 173.48 2kps s LEU 48 N 0.88 0.97 -0.28 2.44 1.43 -1.26 -2.15 118.68 120.71 2kps s LEU 48 Ca 0.31 0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 2kps s LEU 48 Cb -0.16 -0.05 0.08 0.00 0.03 0.00 0.00 46.19 46.09 2kps s LEU 48 CO 0.14 -0.14 0.73 0.86 0.23 0.00 0.00 176.35 178.17 2kps s TRP 49 N 1.18 -0.91 -0.19 0.29 -0.00 -1.26 -3.81 118.94 114.24 2kps s TRP 49 Ca -0.08 1.96 -0.07 0.00 -0.00 0.00 0.00 56.10 57.91 2kps s TRP 49 Cb -0.13 0.48 -0.04 0.00 -0.00 0.00 0.00 33.47 33.78 2kps s TRP 49 CO -0.03 -0.45 0.06 0.42 -0.00 0.00 0.00 176.95 176.95 2kps s ILE 50 N 1.10 4.68 -0.79 5.86 1.01 -1.19 -3.10 121.20 128.77 2kps s ILE 50 Ca -0.06 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 2kps s ILE 50 Cb -0.05 -3.12 0.12 0.00 0.01 0.00 0.00 42.46 39.42 2kps s ILE 50 CO -0.12 0.44 0.99 1.51 0.00 0.00 0.00 174.94 177.77 2kps s ASP 51 N 0.54 6.44 -0.54 3.58 -4.77 -1.26 -4.53 116.67 116.12 2kps s ASP 51 Ca 0.03 -1.71 -0.01 0.00 -3.30 0.00 0.00 52.55 47.55 2kps s ASP 51 Cb -0.13 -2.37 0.39 0.00 -1.09 0.00 0.00 42.92 39.72 2kps s ASP 51 CO 0.01 -1.14 2.01 0.00 0.70 0.00 0.00 175.17 176.75 2kps n ALA 52 N 6.63 5.87 -2.54 2.11 0.00 -1.26 -4.92 120.51 126.40 2kps n ALA 52 Ca 0.10 -2.84 -0.43 0.00 0.00 0.00 0.00 53.44 50.27 2kps n ALA 52 Cb 0.47 -1.62 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 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 -3.89 4.45 0.00 0.00 -1.32 -1.25 -3.13 115.64 110.50 2kps s THR 53 Ca 0.53 1.74 0.00 0.00 -1.21 0.00 0.00 61.69 62.75 2kps s THR 53 Cb 0.42 -4.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 2kps s THR 53 CO 0.00 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 2kps n GLY 54 N 3.60 3.38 3.32 6.08 0.00 -1.26 -5.07 105.19 115.24 2kps n GLY 54 Ca 0.13 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 -2.00 -1.39 -2.91 1.61 4.01 -1.18 -5.03 118.16 111.27 2kps n LYS 55 Ca 0.00 -0.38 -0.05 0.00 -0.51 0.00 0.00 58.31 57.37 2kps n LYS 55 Cb 0.00 -1.77 0.02 0.00 -0.51 0.00 0.00 35.03 32.77 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 -4.30 -1.31 -1.70 7.82 0.00 -1.26 -4.88 120.51 114.87 2kps n ALA 56 Ca 0.02 -0.82 -0.43 0.00 0.00 0.00 0.00 53.44 52.21 2kps n ALA 56 Cb 0.60 0.63 -0.01 0.00 0.00 0.00 0.00 19.45 20.66 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 -0.38 1.59 0.00 0.00 0.31 -1.26 -4.82 118.33 113.76 2kps n VAL 57 Ca -0.05 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2kps n VAL 57 Cb 0.40 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 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 1.30 3.06 3.70 2.92 0.00 -1.26 -5.02 105.19 109.90 2kps n GLY 58 Ca 0.07 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.80 4.49 0.01 1.61 -1.05 -1.26 -3.89 118.70 115.81 2kps s GLU 59 Ca 0.00 1.39 -0.09 0.00 -0.15 0.00 0.00 54.97 56.12 2kps s GLU 59 Cb 0.00 -3.50 0.01 0.00 -0.44 0.00 0.00 34.13 30.19 2kps s GLU 59 CO 0.00 -0.18 0.19 -1.58 0.95 0.00 0.00 175.26 174.64 2kps s HIS 60 N 1.50 0.01 0.20 4.83 2.46 -1.24 -5.01 115.29 118.06 2kps s HIS 60 Ca 0.50 -0.13 -0.20 0.00 0.47 0.00 0.00 55.06 55.70 2kps s HIS 60 Cb -0.20 -0.02 -0.08 0.00 -0.13 0.00 0.00 32.58 32.15 2kps s HIS 60 CO 0.23 -0.36 0.71 -0.08 -2.47 0.00 0.00 174.74 172.77 2kps s THR 61 N -1.83 4.57 -0.01 0.89 -1.32 -1.26 -3.97 115.64 112.70 2kps s THR 61 Ca -0.11 1.31 0.03 0.00 -1.21 0.00 0.00 61.69 61.71 2kps s THR 61 Cb -0.05 -3.89 -0.01 0.00 -1.51 0.00 0.00 72.50 67.05 2kps s THR 61 CO -0.00 0.27 -0.12 0.68 -2.21 0.00 0.00 174.62 173.24 2kps s VAL 62 N -1.45 0.93 -0.20 5.08 -7.23 -0.65 -5.00 120.40 111.88 2kps s VAL 62 Ca 0.41 -0.49 -0.15 0.00 -1.81 0.00 0.00 61.98 59.94 2kps s VAL 62 Cb -0.18 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 2kps s VAL 62 CO 0.21 0.27 0.37 -0.54 -0.31 0.00 0.00 175.10 175.10 2kps s LYS 63 N -0.19 4.18 -0.07 4.82 1.02 -1.26 -3.02 119.74 125.21 2kps s LYS 63 Ca 0.03 0.15 -0.30 0.00 0.02 0.00 0.00 55.97 55.88 2kps s LYS 63 Cb -0.05 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 2kps s LYS 63 CO -0.00 0.01 1.08 0.42 -0.92 0.00 0.00 175.35 175.93 2kps s ILE 64 N 1.18 4.58 0.06 2.17 1.09 -1.26 -4.48 121.20 124.53 2kps s ILE 64 Ca 0.18 1.86 -0.27 0.00 -1.10 0.00 0.00 60.65 61.32 2kps s ILE 64 Cb -0.14 -4.20 -0.17 0.00 -1.06 0.00 0.00 42.46 36.89 2kps s ILE 64 CO 0.07 0.03 1.54 0.22 -0.10 0.00 0.00 174.94 176.70 2kps h TYR 65 N 7.16 -0.42 -4.24 3.97 3.20 -1.95 -3.49 116.97 121.20 2kps h TYR 65 Ca -0.34 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.52 2kps h TYR 65 Cb 1.16 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.57 2kps h TYR 65 CO 0.71 -0.19 -0.90 1.87 -1.64 0.00 0.00 178.16 178.01 2kps n TRP 66 N -5.24 -4.60 -3.81 -3.82 -0.00 -1.26 -5.04 117.44 93.67 2kps n TRP 66 Ca -0.10 2.57 -0.13 0.00 -0.00 0.00 0.00 57.50 59.84 2kps n TRP 66 Cb 0.23 -3.45 -0.13 0.00 -0.00 0.00 0.00 31.31 27.96 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 -1.26 0.11 -0.05 5.87 -0.44 -0.91 -5.04 119.66 117.94 2kps s GLN 67 Ca 0.00 0.21 0.00 0.00 -2.50 0.00 0.00 55.36 53.07 2kps s GLN 67 Cb 0.00 -0.01 0.02 0.00 -1.64 0.00 0.00 33.01 31.38 2kps s GLN 67 CO 0.00 -0.06 -0.02 -0.48 0.50 0.00 0.00 175.29 175.23 2kps s LEU 68 N 0.38 1.06 0.00 3.68 0.05 -1.26 -2.70 118.68 119.88 2kps s LEU 68 Ca -0.03 -0.10 0.00 0.00 0.05 0.00 0.00 54.13 54.06 2kps s LEU 68 Cb -0.04 -0.41 0.00 0.00 -2.05 0.00 0.00 46.19 43.69 2kps s LEU 68 CO -0.01 -0.11 0.59 -2.65 -0.55 0.00 0.00 176.35 173.62 2kps n PRO 69 N 4.42 0.00 -1.29 1.48 -0.02 -1.26 -4.69 135.00 133.64 2kps n PRO 69 Ca -0.19 0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.14 2kps n PRO 69 Cb 0.50 -1.53 0.20 0.00 -0.02 0.00 0.00 33.50 32.65 2kps n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kps s ALA 70 N -2.18 1.09 -0.31 3.55 0.00 -1.26 -5.00 121.76 117.65 2kps s ALA 70 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.30 2kps s ALA 70 Cb 0.00 -2.97 0.46 0.00 0.00 0.00 0.00 23.12 20.61 2kps s ALA 70 CO 0.00 -3.00 1.26 0.41 0.00 0.00 0.00 175.76 174.42 2kps n GLY 71 N -1.54 6.25 3.98 0.00 0.00 -1.26 -5.06 105.19 107.56 2kps n GLY 71 Ca 0.10 -2.51 -0.24 0.00 0.00 0.00 0.00 46.02 43.37 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 -4.49 2.24 -0.17 -0.61 2.07 -1.26 -5.09 121.20 113.89 2kps s ILE 72 Ca 0.51 -0.55 -0.02 0.00 -1.41 0.00 0.00 60.65 59.18 2kps s ILE 72 Cb 0.41 -2.69 -0.01 0.00 0.13 0.00 0.00 42.46 40.30 2kps s ILE 72 CO 0.03 0.00 -0.08 -1.61 -1.91 0.00 0.00 174.94 171.37 2kps s GLU 73 N -5.12 3.43 -0.12 3.50 2.02 -1.26 -5.08 118.70 116.08 2kps s GLU 73 Ca 0.64 -0.63 -0.29 0.00 0.02 0.00 0.00 54.97 54.71 2kps s GLU 73 Cb -0.07 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 2kps s GLU 73 CO 0.44 0.05 1.66 -1.64 0.02 0.00 0.00 175.26 175.78 2kps s MET 74 N 0.83 4.01 -0.13 1.61 -1.94 -1.26 -4.90 119.30 117.52 2kps s MET 74 Ca -0.03 2.00 -0.19 0.00 -1.71 0.00 0.00 55.69 55.77 2kps s MET 74 Cb -0.15 -4.01 -0.17 0.00 2.01 0.00 0.00 34.83 32.51 2kps s MET 74 CO 0.01 -1.04 0.50 0.28 -0.01 0.00 0.00 175.02 174.76 2kps h VAL 75 N 5.82 1.18 -3.62 -6.03 2.07 -1.98 -3.48 116.25 110.20 2kps h VAL 75 Ca -0.37 -1.89 -0.14 0.00 0.82 0.00 0.00 66.70 65.12 2kps h VAL 75 Cb 1.17 2.23 -0.19 0.00 -1.52 0.00 0.00 31.29 32.98 2kps h VAL 75 CO 0.97 0.40 -0.50 -0.44 0.02 0.00 0.00 177.57 178.02 2kps s SER 76 N -6.00 0.08 -0.17 0.57 0.01 -1.26 -5.14 113.70 101.80 2kps s SER 76 Ca -0.13 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.81 2kps s SER 76 Cb -0.02 0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.44 2kps s SER 76 CO 0.45 -0.44 -0.20 -0.51 0.41 0.00 0.00 173.24 172.96 2kps s ILE 77 N -1.92 2.14 0.41 1.44 -1.16 -1.26 -4.67 121.20 116.18 2kps s ILE 77 Ca -0.11 -0.93 -0.01 0.00 -0.51 0.00 0.00 60.65 59.10 2kps s ILE 77 Cb -0.05 -1.88 -0.02 0.00 0.61 0.00 0.00 42.46 41.12 2kps s ILE 77 CO -0.01 0.54 0.64 -2.16 -2.81 0.00 0.00 174.94 171.14 2kps s PRO 78 N 1.10 3.34 0.34 3.50 0.04 -1.26 -5.08 135.00 136.98 2kps s PRO 78 Ca 0.00 -0.28 0.04 0.00 0.04 0.00 0.00 61.00 60.80 2kps s PRO 78 Cb -0.14 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 2kps s PRO 78 CO -0.08 -0.08 0.07 0.16 0.04 0.00 0.00 177.00 177.11 2kps s ASP 79 N -4.12 2.46 0.01 6.66 -4.77 -1.26 -4.26 116.67 111.39 2kps s ASP 79 Ca 0.44 -1.44 -0.05 0.00 -3.30 0.00 0.00 52.55 48.20 2kps s ASP 79 Cb -0.10 0.06 -0.01 0.00 -1.09 0.00 0.00 42.92 41.79 2kps s ASP 79 CO 0.39 -0.68 0.09 0.54 0.70 0.00 0.00 175.17 176.21 2kps s VAL 80 N -3.29 0.10 0.03 2.11 0.11 -1.17 -5.00 120.40 113.29 2kps s VAL 80 Ca 0.33 -0.80 0.02 0.00 -2.93 0.00 0.00 61.98 58.60 2kps s VAL 80 Cb 0.07 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2kps s VAL 80 CO 0.15 -0.44 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.51 2kps s THR 81 N -1.59 0.53 0.21 5.04 2.01 -1.26 -1.63 115.64 118.94 2kps s THR 81 Ca -0.14 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 2kps s THR 81 Cb -0.07 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 71.93 2kps s THR 81 CO 0.00 -0.18 0.40 0.00 -0.69 0.00 0.00 174.62 174.15 2kps n TYR 82 N 2.02 -1.66 -4.07 4.92 0.18 -1.26 -5.03 117.16 112.27 2kps n TYR 82 Ca -0.19 -1.01 -0.35 0.00 1.88 0.00 0.00 57.90 58.24 2kps n TYR 82 Cb 0.56 0.47 -0.09 0.00 -0.38 0.00 0.00 39.34 39.90 2kps n TYR 82 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2kps s THR 83 N -2.54 4.78 -0.06 -3.48 2.01 -1.26 -3.61 115.64 111.48 2kps s THR 83 Ca 0.09 -0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 2kps s THR 83 Cb -0.02 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 2kps s THR 83 CO 0.07 0.51 0.29 -0.76 -0.69 0.00 0.00 174.62 174.03 2kps s LEU 84 N -0.05 4.42 -0.07 4.42 2.01 -1.25 -4.32 118.68 123.85 2kps s LEU 84 Ca 0.06 0.72 0.03 0.00 0.01 0.00 0.00 54.13 54.96 2kps s LEU 84 Cb -0.12 -2.35 0.01 0.00 0.01 0.00 0.00 46.19 43.73 2kps s LEU 84 CO 0.01 0.35 -0.17 -1.59 1.01 0.00 0.00 176.35 175.95 2kps s LYS 85 N -0.95 2.19 0.53 1.70 -2.85 -0.90 -4.29 119.74 115.17 2kps s LYS 85 Ca 0.20 -0.62 -0.21 0.00 -1.00 0.00 0.00 55.97 54.33 2kps s LYS 85 Cb -0.14 -1.75 -0.07 0.00 -2.06 0.00 0.00 37.83 33.81 2kps s LYS 85 CO 0.09 0.13 1.10 0.00 0.10 0.00 0.00 175.35 176.77 2kps n ALA 86 N 3.57 0.65 -2.01 0.59 0.00 -1.26 -1.90 120.51 120.15 2kps n ALA 86 Ca -0.21 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2kps n ALA 86 Cb 0.52 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 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 -2.57 4.23 -0.01 0.00 2.20 -0.77 -4.73 119.74 118.10 2kps s LYS 87 Ca 0.70 2.24 0.07 0.00 -0.36 0.00 0.00 55.97 58.63 2kps s LYS 87 Cb -0.46 -3.42 0.11 0.00 -1.51 0.00 0.00 37.83 32.56 2kps s LYS 87 CO 0.51 -0.63 1.05 0.39 -0.36 0.00 0.00 175.35 176.31 2kps n GLU 88 N 4.87 0.06 -1.79 4.03 1.02 -1.26 -4.95 120.64 122.61 2kps n GLU 88 Ca 0.14 -1.31 -0.37 0.00 -0.02 0.00 0.00 57.16 55.61 2kps n GLU 88 Cb 0.41 -0.43 0.06 0.00 -0.02 0.00 0.00 31.44 31.46 2kps n GLU 88 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kps s ASP 89 N -1.31 4.71 0.00 1.62 1.11 -1.26 -4.85 116.67 116.68 2kps s ASP 89 Ca 0.09 2.59 0.06 0.00 0.18 0.00 0.00 52.55 55.47 2kps s ASP 89 Cb 0.10 -2.62 0.34 0.00 1.07 0.00 0.00 42.92 41.81 2kps s ASP 89 CO -0.04 -1.93 0.90 -0.81 1.18 0.00 0.00 175.17 174.47 2kps n PRO 90 N -1.84 0.63 -1.62 8.23 -0.04 -1.26 -4.79 135.00 134.32 2kps n PRO 90 Ca 0.15 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 2kps n PRO 90 Cb 0.48 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.75 2kps n PRO 90 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kps n LEU 91 N -0.64 -1.16 0.00 1.53 4.77 -1.26 -4.40 117.00 115.84 2kps n LEU 91 Ca 0.04 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2kps n LEU 91 Cb 0.02 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 38.86 2kps n LEU 91 CO 0.03 -0.68 0.00 1.21 -1.33 0.00 0.00 177.39 176.62 2kps n GLU 92 N -2.16 0.00 0.22 3.23 2.13 -1.26 -5.10 120.64 117.71 2kps n GLU 92 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 2kps n GLU 92 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2kps n GLU 92 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kps n HIS 93 N -0.22 -4.34 -3.76 4.31 8.25 -1.26 -5.15 115.22 113.05 2kps n HIS 93 Ca 0.00 1.42 -0.13 0.00 -0.26 0.00 0.00 57.72 58.75 2kps n HIS 93 Cb 0.00 3.40 -0.11 0.00 1.12 0.00 0.00 29.99 34.40 2kps n HIS 93 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kps s HIS 94 N -1.97 -0.36 -0.14 4.41 3.76 -1.26 -4.83 115.29 114.91 2kps s HIS 94 Ca 0.00 0.88 -0.29 0.00 -0.15 0.00 0.00 55.06 55.49 2kps s HIS 94 Cb 0.00 0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.80 2kps s HIS 94 CO 0.00 -0.17 1.21 -1.58 -0.85 0.00 0.00 174.74 173.35 2kps s HIS 95 N 0.18 3.01 0.81 1.40 2.46 -1.26 -5.02 115.29 116.87 2kps s HIS 95 Ca -0.00 1.13 -0.11 0.00 0.47 0.00 0.00 55.06 56.55 2kps s HIS 95 Cb -0.02 -3.45 0.08 0.00 -0.13 0.00 0.00 32.58 29.06 2kps s HIS 95 CO 0.00 -1.43 1.09 -1.01 -2.47 0.00 0.00 174.74 170.93 2kps s HIS 96 N 3.07 2.64 -0.16 3.88 3.76 -1.26 -4.63 115.29 122.59 2kps s HIS 96 Ca 0.54 1.31 -0.06 0.00 -0.15 0.00 0.00 55.06 56.69 2kps s HIS 96 Cb -0.22 -3.09 0.02 0.00 1.11 0.00 0.00 32.58 30.41 2kps s HIS 96 CO 0.16 -1.92 0.13 0.72 -0.85 0.00 0.00 174.74 172.98 2kps n HIS 97 N -3.57 -3.09 -1.98 1.40 8.25 -1.26 -5.30 115.22 109.67 2kps n HIS 97 Ca 0.07 1.68 0.00 0.00 -0.26 0.00 0.00 57.72 59.22 2kps n HIS 97 Cb 0.55 -3.09 0.00 0.00 1.12 0.00 0.00 29.99 28.57 2kps n HIS 97 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59