#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 0.24 0.03 2.85 -1.26 -4.94 118.16 115.08 2kps n LYS 2 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 2kps n LYS 2 Cb 0.00 0.00 0.60 0.00 -0.65 0.00 0.00 35.03 34.98 2kps n LYS 2 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2kps h THR 3 N 0.00 0.67 -0.37 0.58 1.35 -2.08 -2.82 112.91 110.24 2kps h THR 3 Ca 0.00 -0.80 -0.05 0.00 -0.55 0.00 0.00 66.41 65.02 2kps h THR 3 Cb 0.00 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 2kps h THR 3 CO 0.00 0.18 0.05 -0.07 -0.25 0.00 0.00 175.52 175.43 2kps h LEU 4 N 0.00 0.60 -2.70 3.87 3.38 -2.04 -2.81 115.31 115.60 2kps h LEU 4 Ca -0.00 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2kps h LEU 4 Cb 0.49 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2kps h LEU 4 CO 0.02 0.71 0.09 -1.22 0.09 0.00 0.00 178.44 178.14 2kps n TYR 5 N -4.54 0.39 0.17 1.13 4.01 -1.07 -4.10 117.16 113.15 2kps n TYR 5 Ca -0.01 -0.97 0.06 0.00 -0.16 0.00 0.00 57.90 56.82 2kps n TYR 5 Cb 0.24 -0.48 0.10 0.00 -0.31 0.00 0.00 39.34 38.89 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 0.64 0.00 -2.15 7.72 2.03 -1.60 -3.36 116.42 119.70 2kps h ASP 6 Ca 0.08 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.80 2kps h ASP 6 Cb 1.10 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.19 2kps h ASP 6 CO 0.17 0.34 -0.77 0.18 -1.03 0.00 0.00 179.24 178.13 2kps n LEU 7 N -3.21 2.83 -4.55 0.15 4.77 -1.26 -5.05 117.00 110.68 2kps n LEU 7 Ca 0.02 -5.28 -0.34 0.00 -0.03 0.00 0.00 56.01 50.39 2kps n LEU 7 Cb 0.65 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2kps n LEU 7 CO 0.38 2.14 1.46 -2.16 -1.33 0.00 0.00 177.39 177.88 2kps s PRO 8 N -2.37 2.69 0.60 3.23 0.04 -1.26 -4.51 135.00 133.43 2kps s PRO 8 Ca 0.41 0.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.37 2kps s PRO 8 Cb 0.20 -4.73 -0.05 0.00 0.04 0.00 0.00 34.50 29.96 2kps s PRO 8 CO -0.06 -2.94 1.02 0.42 0.04 0.00 0.00 177.00 175.48 2kps s ILE 9 N 9.03 4.60 0.01 0.56 1.01 -1.26 -4.99 121.20 130.15 2kps s ILE 9 Ca 0.65 0.94 0.08 0.00 0.00 0.00 0.00 60.65 62.32 2kps s ILE 9 Cb -0.09 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2kps s ILE 9 CO 0.09 -1.01 -0.26 -0.69 0.00 0.00 0.00 174.94 173.07 2kps s VAL 10 N -3.03 2.07 0.17 2.92 1.01 -1.25 -4.66 120.40 117.64 2kps s VAL 10 Ca 0.56 -1.22 0.11 0.00 0.00 0.00 0.00 61.98 61.43 2kps s VAL 10 Cb -0.11 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2kps s VAL 10 CO 0.49 0.49 -0.23 -0.76 0.00 0.00 0.00 175.10 175.09 2kps s LEU 11 N -0.86 2.41 0.00 3.92 1.43 -1.26 -3.20 118.68 121.12 2kps s LEU 11 Ca 0.11 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2kps s LEU 11 Cb -0.10 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2kps s LEU 11 CO 0.00 0.09 0.00 -2.11 0.23 0.00 0.00 176.35 174.56 2kps n ARG 12 N 0.40 0.00 0.00 1.70 1.85 -1.25 -4.90 116.66 114.46 2kps n ARG 12 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.71 2kps n ARG 12 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 2kps n ARG 12 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2kps n ASN 13 N -1.41 0.00 -4.36 2.89 2.85 -1.26 -4.07 115.26 109.90 2kps n ASN 13 Ca 0.00 0.00 -0.62 0.00 -0.11 0.00 0.00 54.58 53.85 2kps n ASN 13 Cb 0.00 -0.41 -0.09 0.00 1.24 0.00 0.00 39.78 40.52 2kps n ASN 13 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kps n LEU 14 N 0.00 0.92 -4.42 1.20 4.77 -1.26 -4.81 117.00 113.40 2kps n LEU 14 Ca 0.00 1.10 -0.38 0.00 -0.03 0.00 0.00 56.01 56.70 2kps n LEU 14 Cb 0.00 -0.82 0.03 0.00 -2.33 0.00 0.00 43.42 40.30 2kps n LEU 14 CO 0.00 -0.95 -0.08 -2.65 -1.33 0.00 0.00 177.39 172.37 2kps n PRO 15 N 3.30 0.39 0.15 3.23 -0.02 -1.26 -4.84 135.00 135.96 2kps n PRO 15 Ca 0.27 0.16 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 2kps n PRO 15 Cb -0.03 -1.57 0.53 0.00 -0.02 0.00 0.00 33.50 32.41 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 0.13 0.00 -0.08 -0.52 3.07 -2.04 -2.31 114.58 112.84 2kps h GLU 16 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2kps h GLU 16 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 2kps h GLU 16 CO 0.45 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.81 2kps n ASP 17 N -2.34 2.50 -4.30 1.42 8.00 -1.26 -4.92 116.55 115.65 2kps n ASP 17 Ca 0.01 -1.73 -0.24 0.00 0.71 0.00 0.00 54.79 53.55 2kps n ASP 17 Cb 0.21 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.33 2.33 0.14 0.64 2.96 -0.87 -0.26 118.68 122.29 2kps s LEU 18 Ca 0.21 -0.72 -0.09 0.00 -0.22 0.00 0.00 54.13 53.31 2kps s LEU 18 Cb 0.14 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 2kps s LEU 18 CO 0.21 0.05 0.25 0.68 -1.32 0.00 0.00 176.35 176.23 2kps s VAL 19 N -1.30 0.09 0.04 1.68 -7.23 -0.75 -4.49 120.40 108.43 2kps s VAL 19 Ca 0.09 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 58.99 2kps s VAL 19 Cb -0.09 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 2kps s VAL 19 CO 0.05 -0.39 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.99 2kps s LEU 20 N -2.94 2.16 0.00 1.32 0.20 -1.26 -1.74 118.68 116.41 2kps s LEU 20 Ca 0.14 -0.54 0.00 0.00 0.69 0.00 0.00 54.13 54.42 2kps s LEU 20 Cb 0.04 -1.13 0.00 0.00 -0.43 0.00 0.00 46.19 44.67 2kps s LEU 20 CO -0.03 0.21 0.23 -1.84 -0.29 0.00 0.00 176.35 174.63 2kps n GLU 21 N 1.88 0.27 0.00 1.98 0.28 -1.26 -4.81 120.64 118.99 2kps n GLU 21 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2kps n GLU 21 Cb 0.53 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 32.11 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 0.70 0.00 0.00 3.44 5.02 -1.26 -4.70 118.16 121.35 2kps n LYS 22 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2kps n LYS 22 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 2kps n LYS 22 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kps n PRO 23 N 0.36 0.17 -2.04 1.97 -0.04 -1.26 -4.87 135.00 129.28 2kps n PRO 23 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2kps n PRO 23 Cb 0.00 -1.01 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2kps n PRO 23 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kps n LEU 24 N -0.51 -1.33 -0.34 1.53 7.94 -1.26 -4.69 117.00 118.34 2kps n LEU 24 Ca 0.00 0.01 0.16 0.00 -1.11 0.00 0.00 56.01 55.08 2kps n LEU 24 Cb 0.00 -0.75 0.37 0.00 0.53 0.00 0.00 43.42 43.57 2kps n LEU 24 CO 0.00 -0.22 1.14 -0.65 -1.11 0.00 0.00 177.39 176.55 2kps h PRO 25 N 1.41 0.55 0.00 1.96 0.11 -1.87 -3.45 132.00 130.71 2kps h PRO 25 Ca -0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2kps h PRO 25 Cb 0.60 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2kps h PRO 25 CO 0.07 0.36 0.00 0.39 -0.21 0.00 0.00 178.00 178.61 2kps n GLU 26 N -4.91 0.00 -3.60 1.05 1.02 -1.26 -4.87 120.64 108.08 2kps n GLU 26 Ca 0.26 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.28 2kps n GLU 26 Cb 0.72 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.07 2kps n GLU 26 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2kps s VAL 27 N 0.00 0.00 0.41 2.62 1.01 -1.26 -4.78 120.40 118.40 2kps s VAL 27 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2kps s VAL 27 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2kps s VAL 27 CO 0.00 0.00 0.51 -0.55 0.00 0.00 0.00 175.10 175.06 2kps s SER 28 N -0.32 5.54 -0.02 3.32 0.15 -1.26 -5.04 113.70 116.08 2kps s SER 28 Ca -0.01 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2kps s SER 28 Cb -0.03 -0.70 0.02 0.00 -1.71 0.00 0.00 66.02 63.60 2kps s SER 28 CO 0.00 -0.69 0.01 -0.69 1.20 0.00 0.00 173.24 173.07 2kps s VAL 29 N -2.36 0.04 0.00 4.45 1.01 -1.26 -4.79 120.40 117.49 2kps s VAL 29 Ca 0.52 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2kps s VAL 29 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2kps s VAL 29 CO 0.31 0.08 0.53 0.41 0.00 0.00 0.00 175.10 176.43 2kps n THR 30 N 3.81 0.19 -3.71 3.92 -1.04 -1.26 -5.08 114.28 111.11 2kps n THR 30 Ca -0.23 -0.21 -0.36 0.00 -2.04 0.00 0.00 64.05 61.21 2kps n THR 30 Cb 0.53 1.04 -0.06 0.00 -1.82 0.00 0.00 70.33 70.03 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 -0.19 5.28 0.36 12.58 1.01 -1.26 -4.63 121.20 134.34 2kps s ILE 31 Ca 0.00 0.38 0.04 0.00 0.00 0.00 0.00 60.65 61.07 2kps s ILE 31 Cb 0.00 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 38.85 2kps s ILE 31 CO 0.00 0.49 0.06 0.00 0.00 0.00 0.00 174.94 175.50 2kps s ARG 32 N -1.37 1.76 0.05 2.79 1.70 -1.26 -5.05 118.95 117.57 2kps s ARG 32 Ca 0.23 -2.00 -0.04 0.00 -0.47 0.00 0.00 55.73 53.45 2kps s ARG 32 Cb -0.14 -0.95 0.01 0.00 -0.57 0.00 0.00 34.95 33.31 2kps s ARG 32 CO 0.12 -0.23 0.18 0.00 -1.08 0.00 0.00 175.30 174.29 2kps n ALA 33 N -0.78 -0.46 -2.64 7.88 0.00 -1.26 -4.44 120.51 118.80 2kps n ALA 33 Ca -0.04 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 2kps n ALA 33 Cb 0.66 0.13 -0.02 0.00 0.00 0.00 0.00 19.45 20.23 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 -5.98 3.25 0.55 0.00 2.02 -1.26 -4.90 117.35 111.03 2kps s TYR 34 Ca 0.04 1.35 0.10 0.00 -0.37 0.00 0.00 57.07 58.20 2kps s TYR 34 Cb -0.01 -3.43 0.57 0.00 -0.40 0.00 0.00 41.96 38.69 2kps s TYR 34 CO 0.01 -0.64 1.28 -1.35 -1.57 0.00 0.00 175.55 173.28 2kps h PRO 35 N 7.72 0.00 0.37 -1.71 0.11 -2.00 -1.39 132.00 135.10 2kps h PRO 35 Ca -0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 2kps h PRO 35 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2kps h PRO 35 CO 1.00 0.00 -0.18 0.93 -0.21 0.00 0.00 178.00 179.54 2kps h GLU 36 N 0.00 -0.48 0.00 1.05 3.07 -2.00 0.21 114.58 116.43 2kps h GLU 36 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2kps h GLU 36 Cb 1.39 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 2kps h GLU 36 CO 0.00 -0.21 0.00 0.82 -1.40 0.00 0.00 179.01 178.22 2kps h ILE 37 N -0.70 0.00 0.01 3.13 2.04 -1.67 -3.15 117.51 117.18 2kps h ILE 37 Ca -0.05 -0.44 -0.29 0.00 1.00 0.00 0.00 64.86 65.08 2kps h ILE 37 Cb 0.49 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2kps h ILE 37 CO 0.08 0.00 -1.63 -0.07 0.00 0.00 0.00 178.15 176.53 2kps h LEU 38 N 0.00 0.04 -2.16 1.44 3.38 -1.39 -3.23 115.31 113.39 2kps h LEU 38 Ca 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2kps h LEU 38 Cb 0.61 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2kps h LEU 38 CO 0.00 1.07 -0.01 -1.13 0.09 0.00 0.00 178.44 178.46 2kps h ASN 39 N 0.01 0.00 -0.21 -0.43 -1.24 -0.53 -2.31 115.58 110.86 2kps h ASN 39 Ca -0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2kps h ASN 39 Cb 1.99 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.04 2kps h ASN 39 CO 0.09 0.01 0.00 0.59 -1.29 0.00 0.00 177.43 176.83 2kps n ASN 40 N -4.26 3.21 -4.72 1.15 4.13 -1.26 -5.00 115.26 108.51 2kps n ASN 40 Ca -0.03 -2.67 -0.35 0.00 1.68 0.00 0.00 54.58 53.21 2kps n ASN 40 Cb 0.10 -0.39 -0.09 0.00 -1.54 0.00 0.00 39.78 37.86 2kps n ASN 40 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kps s LEU 41 N -2.19 3.79 0.00 3.41 0.20 -0.87 -5.11 118.68 117.91 2kps s LEU 41 Ca 0.32 0.21 0.00 0.00 0.69 0.00 0.00 54.13 55.35 2kps s LEU 41 Cb 0.24 -1.89 -0.00 0.00 -0.43 0.00 0.00 46.19 44.11 2kps s LEU 41 CO 0.09 0.36 0.00 1.07 -0.29 0.00 0.00 176.35 177.58 2kps n THR 42 N 2.27 0.00 0.04 3.68 5.66 -1.26 -4.97 114.28 119.69 2kps n THR 42 Ca -0.19 -0.56 -0.12 0.00 -3.05 0.00 0.00 64.05 60.13 2kps n THR 42 Cb 0.54 0.12 -0.14 0.00 -1.55 0.00 0.00 70.33 69.30 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 0.12 0.00 1.09 2.10 -1.96 -3.33 116.57 114.59 2kps h LYS 43 Ca -0.10 -0.20 -0.03 0.00 -2.00 0.00 0.00 60.65 58.31 2kps h LYS 43 Cb 0.30 0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2kps h LYS 43 CO 0.16 0.93 -0.16 0.93 -2.00 0.00 0.00 179.45 179.30 2kps h GLU 44 N 0.03 0.00 -0.34 0.07 4.39 -2.00 -2.74 114.58 113.99 2kps h GLU 44 Ca -0.20 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.35 2kps h GLU 44 Cb 1.95 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.60 2kps h GLU 44 CO 0.13 0.16 -0.41 0.37 -1.16 0.00 0.00 179.01 178.11 2kps h GLN 45 N 0.00 0.87 -6.49 2.33 5.75 -1.99 -3.43 115.11 112.15 2kps h GLN 45 Ca -0.00 -0.49 -0.53 0.00 -0.15 0.00 0.00 58.65 57.48 2kps h GLN 45 Cb 0.41 0.03 0.03 0.00 1.07 0.00 0.00 27.48 29.01 2kps h GLN 45 CO 0.02 1.13 0.99 0.42 -2.65 0.00 0.00 178.83 178.74 2kps s ILE 46 N -4.31 2.88 -0.74 2.39 -1.09 -1.04 -4.88 121.20 114.41 2kps s ILE 46 Ca -0.11 0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 58.57 2kps s ILE 46 Cb 0.10 -3.27 0.18 0.00 -1.58 0.00 0.00 42.46 37.90 2kps s ILE 46 CO 0.87 0.01 0.70 -0.44 -1.23 0.00 0.00 174.94 174.85 2kps s SER 47 N 2.17 6.56 -0.22 3.58 0.01 -0.65 -4.98 113.70 120.17 2kps s SER 47 Ca 0.74 -2.33 -0.09 0.00 1.31 0.00 0.00 55.95 55.58 2kps s SER 47 Cb -0.41 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2kps s SER 47 CO 0.33 -0.71 0.12 -0.76 0.41 0.00 0.00 173.24 172.63 2kps s LEU 48 N 0.84 4.00 -0.13 2.44 1.43 -1.26 -0.77 118.68 125.24 2kps s LEU 48 Ca 0.14 0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.11 2kps s LEU 48 Cb -0.17 -2.05 0.05 0.00 0.03 0.00 0.00 46.19 44.06 2kps s LEU 48 CO -0.05 0.11 0.57 -1.66 0.23 0.00 0.00 176.35 175.55 2kps s TRP 49 N 0.77 -0.57 -0.03 0.29 -2.14 -1.26 -3.79 118.94 112.21 2kps s TRP 49 Ca 0.06 1.20 0.06 0.00 2.66 0.00 0.00 56.10 60.08 2kps s TRP 49 Cb -0.13 0.26 -0.01 0.00 -3.10 0.00 0.00 33.47 30.49 2kps s TRP 49 CO 0.02 -0.42 -0.21 0.42 -2.66 0.00 0.00 176.95 174.11 2kps s ILE 50 N -0.44 1.68 -0.46 0.66 1.01 -1.19 -3.24 121.20 119.21 2kps s ILE 50 Ca -0.06 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 2kps s ILE 50 Cb -0.03 -1.42 0.04 0.00 0.01 0.00 0.00 42.46 41.06 2kps s ILE 50 CO 0.04 0.48 0.58 1.51 0.00 0.00 0.00 174.94 177.55 2kps s ASP 51 N -0.25 6.25 -0.58 3.58 -4.77 -1.26 -3.83 116.67 115.81 2kps s ASP 51 Ca 0.02 -0.65 -0.02 0.00 -3.30 0.00 0.00 52.55 48.60 2kps s ASP 51 Cb -0.10 -2.28 0.28 0.00 -1.09 0.00 0.00 42.92 39.73 2kps s ASP 51 CO 0.01 -0.77 2.20 0.00 0.70 0.00 0.00 175.17 177.31 2kps n ALA 52 N 6.04 6.13 -2.44 2.11 0.00 -1.26 -4.95 120.51 126.15 2kps n ALA 52 Ca -0.05 -3.12 -0.43 0.00 0.00 0.00 0.00 53.44 49.85 2kps n ALA 52 Cb 0.47 -1.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 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 -3.72 3.95 0.00 0.00 -4.23 -1.26 -3.24 115.64 107.14 2kps s THR 53 Ca 0.53 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 2kps s THR 53 Cb 0.40 -4.40 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2kps s THR 53 CO -0.16 -0.97 0.00 0.61 -0.54 0.00 0.00 174.62 173.56 2kps n GLY 54 N 5.08 0.86 3.49 3.99 0.00 -1.26 -5.02 105.19 112.32 2kps n GLY 54 Ca 0.14 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.31 3.22 0.45 1.61 2.47 -1.20 -5.05 119.74 116.93 2kps s LYS 55 Ca 0.00 -0.59 -0.05 0.00 -1.56 0.00 0.00 55.97 53.78 2kps s LYS 55 Cb 0.00 -4.04 -0.04 0.00 -1.46 0.00 0.00 37.83 32.30 2kps s LYS 55 CO 0.00 -1.19 0.75 0.00 0.16 0.00 0.00 175.35 175.07 2kps s ALA 56 N 2.94 3.44 0.48 3.13 0.00 -1.26 -4.93 121.76 125.56 2kps s ALA 56 Ca 0.21 -0.54 -0.22 0.00 0.00 0.00 0.00 51.96 51.40 2kps s ALA 56 Cb -0.16 -2.52 -0.09 0.00 0.00 0.00 0.00 23.12 20.35 2kps s ALA 56 CO 0.16 -0.27 1.00 0.28 0.00 0.00 0.00 175.76 176.93 2kps n VAL 57 N -2.11 2.78 0.00 0.00 0.31 -1.26 -4.87 118.33 113.18 2kps n VAL 57 Ca -0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2kps n VAL 57 Cb 0.55 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 1.20 3.32 3.70 2.92 0.00 -1.26 -5.02 105.19 110.05 2kps n GLY 58 Ca 0.10 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.93 4.50 0.08 1.61 -1.05 -1.25 -4.30 118.70 114.36 2kps s GLU 59 Ca 0.00 1.39 -0.08 0.00 -0.15 0.00 0.00 54.97 56.14 2kps s GLU 59 Cb 0.00 -3.49 -0.01 0.00 -0.44 0.00 0.00 34.13 30.19 2kps s GLU 59 CO 0.00 -0.15 0.16 -1.01 0.95 0.00 0.00 175.26 175.21 2kps s HIS 60 N 1.39 0.19 0.17 4.83 3.76 -1.22 -4.96 115.29 119.45 2kps s HIS 60 Ca 0.50 -0.62 -0.27 0.00 -0.15 0.00 0.00 55.06 54.53 2kps s HIS 60 Cb -0.20 -0.10 -0.08 0.00 1.11 0.00 0.00 32.58 33.31 2kps s HIS 60 CO 0.24 -0.50 0.83 -0.08 -0.85 0.00 0.00 174.74 174.38 2kps s THR 61 N -3.70 4.33 -0.01 1.30 -1.32 -1.26 -4.02 115.64 110.96 2kps s THR 61 Ca 0.04 1.83 0.05 0.00 -1.21 0.00 0.00 61.69 62.40 2kps s THR 61 Cb 0.04 -4.20 -0.01 0.00 -1.51 0.00 0.00 72.50 66.82 2kps s THR 61 CO -0.10 0.49 -0.17 0.68 -2.21 0.00 0.00 174.62 173.31 2kps s VAL 62 N -0.96 1.31 -0.04 5.08 -7.23 -0.95 -5.02 120.40 112.60 2kps s VAL 62 Ca 0.38 -0.74 -0.27 0.00 -1.81 0.00 0.00 61.98 59.55 2kps s VAL 62 Cb -0.24 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 2kps s VAL 62 CO 0.28 0.35 0.83 -0.54 -0.31 0.00 0.00 175.10 175.71 2kps s LYS 63 N -0.45 4.49 -0.20 4.82 1.02 -1.26 -3.69 119.74 124.47 2kps s LYS 63 Ca 0.06 1.13 -0.25 0.00 0.02 0.00 0.00 55.97 56.94 2kps s LYS 63 Cb -0.07 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 2kps s LYS 63 CO -0.00 0.00 0.83 0.42 -0.92 0.00 0.00 175.35 175.67 2kps s ILE 64 N 0.94 4.87 -0.82 2.17 -1.09 -1.26 -4.77 121.20 121.23 2kps s ILE 64 Ca 0.44 1.60 -0.02 0.00 -2.23 0.00 0.00 60.65 60.44 2kps s ILE 64 Cb -0.19 -4.12 0.35 0.00 -1.58 0.00 0.00 42.46 36.92 2kps s ILE 64 CO 0.22 -0.01 2.05 -1.22 -1.23 0.00 0.00 174.94 174.75 2kps n TYR 65 N 5.52 2.98 -1.29 3.97 4.02 -1.20 -5.02 117.16 126.13 2kps n TYR 65 Ca 0.05 -2.39 -0.35 0.00 -0.01 0.00 0.00 57.90 55.20 2kps n TYR 65 Cb 0.48 -1.22 0.09 0.00 -0.02 0.00 0.00 39.34 38.67 2kps n TYR 65 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 2kps n TRP 66 N -0.55 0.58 -3.87 -0.72 2.14 -1.26 -4.54 117.44 109.22 2kps n TRP 66 Ca 0.55 0.39 -0.14 0.00 2.07 0.00 0.00 57.50 60.36 2kps n TRP 66 Cb 0.28 -2.06 -0.15 0.00 -0.81 0.00 0.00 31.31 28.57 2kps n TRP 66 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 2kps s GLN 67 N -3.42 0.07 0.04 -2.67 -0.21 0.06 -5.00 119.66 108.53 2kps s GLN 67 Ca 0.72 0.06 0.02 0.00 0.02 0.00 0.00 55.36 56.19 2kps s GLN 67 Cb -0.33 -0.20 -0.02 0.00 1.00 0.00 0.00 33.01 33.46 2kps s GLN 67 CO 0.52 -0.07 -0.08 -0.48 -2.12 0.00 0.00 175.29 173.05 2kps s LEU 68 N 0.52 2.26 0.00 2.90 0.05 -1.26 -1.64 118.68 121.51 2kps s LEU 68 Ca -0.05 -0.55 0.29 0.00 0.05 0.00 0.00 54.13 53.87 2kps s LEU 68 Cb -0.07 -0.20 1.25 0.00 -2.05 0.00 0.00 46.19 45.12 2kps s LEU 68 CO -0.01 -0.19 1.86 -0.81 -0.55 0.00 0.00 176.35 176.65 2kps n PRO 69 N 1.46 1.15 -1.78 1.48 -0.04 -1.26 -4.90 135.00 131.11 2kps n PRO 69 Ca -0.23 -0.50 -0.29 0.00 -0.04 0.00 0.00 63.50 62.44 2kps n PRO 69 Cb 0.55 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.64 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 -2.19 2.26 -0.24 0.55 0.00 -1.26 -5.02 121.76 115.86 2kps s ALA 70 Ca 0.36 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.69 2kps s ALA 70 Cb 0.21 -2.94 0.44 0.00 0.00 0.00 0.00 23.12 20.82 2kps s ALA 70 CO 0.40 -2.05 1.21 0.41 0.00 0.00 0.00 175.76 175.72 2kps n GLY 71 N -3.02 5.49 2.64 0.00 0.00 -1.26 -5.07 105.19 103.97 2kps n GLY 71 Ca 0.09 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 2kps n GLY 71 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kps n ILE 72 N -0.92 0.00 -3.85 -0.61 -0.00 -1.26 -5.04 119.36 107.68 2kps n ILE 72 Ca 0.28 -0.37 -0.36 0.00 -0.00 0.00 0.00 62.75 62.30 2kps n ILE 72 Cb 0.81 -1.19 -0.13 0.00 -0.00 0.00 0.00 39.64 39.13 2kps n ILE 72 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2kps s GLU 73 N -4.87 3.42 -0.58 6.28 8.01 -1.26 -5.06 118.70 124.64 2kps s GLU 73 Ca 0.53 -0.61 -0.27 0.00 0.01 0.00 0.00 54.97 54.64 2kps s GLU 73 Cb -0.05 -3.13 -0.01 0.00 -4.31 0.00 0.00 34.13 26.63 2kps s GLU 73 CO 0.41 -0.22 1.74 -1.64 0.01 0.00 0.00 175.26 175.56 2kps s MET 74 N 1.52 2.85 -0.03 1.61 -1.94 -1.26 -4.59 119.30 117.46 2kps s MET 74 Ca 0.06 0.62 -0.19 0.00 -1.71 0.00 0.00 55.69 54.46 2kps s MET 74 Cb -0.15 -4.31 -0.12 0.00 2.01 0.00 0.00 34.83 32.26 2kps s MET 74 CO -0.01 -2.47 0.83 0.28 -0.01 0.00 0.00 175.02 173.64 2kps h VAL 75 N 6.74 0.38 -3.82 -6.03 2.07 -1.94 -3.48 116.25 110.17 2kps h VAL 75 Ca -0.27 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 2kps h VAL 75 Cb 1.14 0.61 -0.13 0.00 -1.52 0.00 0.00 31.29 31.39 2kps h VAL 75 CO 1.19 0.09 -0.32 -0.55 0.02 0.00 0.00 177.57 178.00 2kps s SER 76 N -5.09 0.05 -0.19 0.57 0.15 -1.26 -5.05 113.70 102.88 2kps s SER 76 Ca -0.11 -0.75 0.01 0.00 0.70 0.00 0.00 55.95 55.80 2kps s SER 76 Cb 0.01 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 2kps s SER 76 CO 0.37 -0.83 -0.18 -0.51 1.20 0.00 0.00 173.24 173.30 2kps s ILE 77 N -3.92 2.21 0.74 6.45 1.10 -1.26 -4.77 121.20 121.75 2kps s ILE 77 Ca 0.11 -0.94 -0.05 0.00 -0.51 0.00 0.00 60.65 59.26 2kps s ILE 77 Cb 0.04 -1.96 0.11 0.00 0.15 0.00 0.00 42.46 40.80 2kps s ILE 77 CO -0.05 0.49 1.04 -2.16 -2.11 0.00 0.00 174.94 172.14 2kps s PRO 78 N 1.30 1.75 0.28 3.50 0.04 -1.26 -5.09 135.00 135.51 2kps s PRO 78 Ca 0.04 -0.67 0.03 0.00 0.04 0.00 0.00 61.00 60.44 2kps s PRO 78 Cb -0.14 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 2kps s PRO 78 CO -0.11 -1.48 0.16 0.16 0.04 0.00 0.00 177.00 175.77 2kps s ASP 79 N -4.66 1.17 0.02 6.66 -4.77 -1.26 -4.46 116.67 109.37 2kps s ASP 79 Ca 0.65 -1.53 -0.02 0.00 -3.30 0.00 0.00 52.55 48.35 2kps s ASP 79 Cb -0.07 0.39 -0.02 0.00 -1.09 0.00 0.00 42.92 42.13 2kps s ASP 79 CO 0.45 -0.89 0.01 0.54 0.70 0.00 0.00 175.17 175.98 2kps s VAL 80 N -3.74 0.12 0.01 2.11 0.11 -1.24 -4.86 120.40 112.91 2kps s VAL 80 Ca 0.37 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 2kps s VAL 80 Cb 0.05 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2kps s VAL 80 CO 0.17 -0.54 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.44 2kps s THR 81 N -1.82 0.51 0.29 5.04 2.01 -1.26 -2.23 115.64 118.18 2kps s THR 81 Ca -0.12 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 2kps s THR 81 Cb -0.07 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 71.99 2kps s THR 81 CO -0.02 -0.06 0.55 0.00 -0.69 0.00 0.00 174.62 174.40 2kps n TYR 82 N 2.37 -1.88 -5.22 4.92 0.18 -1.26 -5.02 117.16 111.26 2kps n TYR 82 Ca -0.17 -1.44 -0.31 0.00 1.88 0.00 0.00 57.90 57.86 2kps n TYR 82 Cb 0.57 0.64 -0.15 0.00 -0.38 0.00 0.00 39.34 40.02 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 -2.40 2.26 -0.14 -3.48 2.01 -1.26 -3.39 115.64 109.24 2kps s THR 83 Ca 0.13 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 2kps s THR 83 Cb -0.03 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 2kps s THR 83 CO 0.10 0.58 0.00 -0.76 -0.69 0.00 0.00 174.62 173.85 2kps s LEU 84 N -0.57 3.52 -0.04 4.42 1.43 -1.26 -4.05 118.68 122.14 2kps s LEU 84 Ca 0.08 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2kps s LEU 84 Cb -0.11 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2kps s LEU 84 CO -0.00 0.24 -0.23 -1.59 0.23 0.00 0.00 176.35 175.00 2kps s LYS 85 N -0.08 2.33 0.41 1.70 -2.85 -0.71 -4.15 119.74 116.38 2kps s LYS 85 Ca 0.04 -0.87 -0.27 0.00 -1.00 0.00 0.00 55.97 53.87 2kps s LYS 85 Cb -0.13 -2.16 -0.10 0.00 -2.06 0.00 0.00 37.83 33.39 2kps s LYS 85 CO 0.02 0.52 1.47 0.00 0.10 0.00 0.00 175.35 177.46 2kps s ALA 86 N -0.51 3.45 0.01 0.59 0.00 -1.26 -1.81 121.76 122.22 2kps s ALA 86 Ca 0.07 1.54 -0.36 0.00 0.00 0.00 0.00 51.96 53.20 2kps s ALA 86 Cb -0.11 -3.60 -0.15 0.00 0.00 0.00 0.00 23.12 19.25 2kps s ALA 86 CO 0.01 -1.12 1.56 1.17 0.00 0.00 0.00 175.76 177.38 2kps n LYS 87 N 0.20 1.56 -1.08 0.00 3.00 0.64 -4.79 118.16 117.69 2kps n LYS 87 Ca 0.03 0.57 -0.15 0.00 -0.00 0.00 0.00 58.31 58.75 2kps n LYS 87 Cb 0.40 -2.28 -0.11 0.00 0.00 0.00 0.00 35.03 33.04 2kps n LYS 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2kps n GLU 88 N 3.92 2.00 -1.24 1.64 1.02 -1.26 -4.95 120.64 121.76 2kps n GLU 88 Ca 0.20 -1.32 -0.33 0.00 -0.02 0.00 0.00 57.16 55.69 2kps n GLU 88 Cb 0.22 -1.91 0.11 0.00 -0.02 0.00 0.00 31.44 29.84 2kps n GLU 88 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2kps s ASP 89 N 1.41 3.90 0.00 1.62 -4.77 -1.26 -4.82 116.67 112.75 2kps s ASP 89 Ca 0.56 2.28 0.00 0.00 -3.30 0.00 0.00 52.55 52.09 2kps s ASP 89 Cb 0.30 -2.58 0.02 0.00 -1.09 0.00 0.00 42.92 39.57 2kps s ASP 89 CO -0.06 -2.46 0.16 -2.65 0.70 0.00 0.00 175.17 170.86 2kps n PRO 90 N -3.14 0.11 -1.44 2.11 -0.02 -1.26 -4.70 135.00 126.66 2kps n PRO 90 Ca 0.13 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.45 2kps n PRO 90 Cb 0.51 -1.05 -0.07 0.00 -0.02 0.00 0.00 33.50 32.87 2kps n PRO 90 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kps n LEU 91 N -0.55 -1.03 -4.34 2.45 4.77 -1.26 -4.91 117.00 112.13 2kps n LEU 91 Ca 0.00 0.39 -0.45 0.00 -0.03 0.00 0.00 56.01 55.92 2kps n LEU 91 Cb 0.00 -2.51 -0.05 0.00 -2.33 0.00 0.00 43.42 38.54 2kps n LEU 91 CO 0.00 -0.94 0.26 -0.70 -1.33 0.00 0.00 177.39 174.69 2kps s GLU 92 N -3.29 3.02 0.38 3.23 -6.30 -1.26 -4.68 118.70 109.79 2kps s GLU 92 Ca 0.00 -1.52 0.00 0.00 -2.50 0.00 0.00 54.97 50.95 2kps s GLU 92 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 34.13 29.85 2kps s GLU 92 CO 0.00 -1.42 0.00 0.72 0.02 0.00 0.00 175.26 174.58 2kps n HIS 93 N 5.75 -4.03 -0.02 5.30 8.25 -1.26 -4.93 115.22 124.28 2kps n HIS 93 Ca -0.12 1.22 -0.02 0.00 -0.26 0.00 0.00 57.72 58.53 2kps n HIS 93 Cb 0.41 3.01 0.23 0.00 1.12 0.00 0.00 29.99 34.76 2kps n HIS 93 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kps h HIS 94 N 0.00 0.61 -5.71 4.41 3.86 -2.03 -3.48 115.15 112.81 2kps h HIS 94 Ca 0.00 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 2kps h HIS 94 Cb 0.00 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2kps h HIS 94 CO 0.00 0.66 -0.96 1.58 0.86 0.00 0.00 177.93 180.06 2kps n HIS 95 N -4.20 -2.45 0.00 2.45 -0.00 -1.26 -4.94 115.22 104.82 2kps n HIS 95 Ca 0.01 1.06 0.00 0.00 0.46 0.00 0.00 57.72 59.25 2kps n HIS 95 Cb 0.32 -2.78 0.00 0.00 -0.12 0.00 0.00 29.99 27.41 2kps n HIS 95 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kps n HIS 96 N 0.72 0.00 -2.09 1.57 -0.00 -1.26 -5.14 115.22 109.03 2kps n HIS 96 Ca 0.01 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 2kps n HIS 96 Cb 0.29 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 2kps n HIS 96 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kps s HIS 97 N -0.60 2.75 0.00 1.57 3.76 -1.26 -5.28 115.29 116.23 2kps s HIS 97 Ca 0.00 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 2kps s HIS 97 Cb 0.00 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 30.12 2kps s HIS 97 CO 0.00 -1.98 0.00 1.58 -0.85 0.00 0.00 174.74 173.49