#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 0.45 0.32 3.17 2.85 -1.26 -4.99 118.16 118.70 2kps n LYS 2 Ca 0.00 -1.15 0.21 0.00 -1.05 0.00 0.00 58.31 56.32 2kps n LYS 2 Cb 0.00 -0.54 1.03 0.00 -0.65 0.00 0.00 35.03 34.88 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 1.55 0.00 -2.01 0.58 1.35 -2.05 -3.37 112.91 108.97 2kps h THR 3 Ca -0.23 -0.18 -0.62 0.00 -0.55 0.00 0.00 66.41 64.84 2kps h THR 3 Cb 1.17 1.17 -0.12 0.00 -1.73 0.00 0.00 68.15 68.63 2kps h THR 3 CO 0.03 0.00 1.05 -0.76 -0.25 0.00 0.00 175.52 175.59 2kps s LEU 4 N -6.14 4.00 0.00 3.87 2.01 -1.26 -4.29 118.68 116.87 2kps s LEU 4 Ca -0.03 -1.30 0.00 0.00 0.01 0.00 0.00 54.13 52.81 2kps s LEU 4 Cb 0.12 -2.49 0.00 0.00 0.01 0.00 0.00 46.19 43.82 2kps s LEU 4 CO 0.45 -1.45 0.00 0.00 1.01 0.00 0.00 176.35 176.36 2kps n TYR 5 N 8.17 0.00 0.24 0.29 4.11 -1.26 -4.46 117.16 124.25 2kps n TYR 5 Ca 0.17 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.15 2kps n TYR 5 Cb 0.49 0.04 0.61 0.00 -0.00 0.00 0.00 39.34 40.47 2kps n TYR 5 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 2kps h ASP 6 N 0.00 0.00 -0.07 9.48 2.03 -1.92 -3.44 116.42 122.50 2kps h ASP 6 Ca 0.00 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.69 2kps h ASP 6 Cb 0.38 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.82 2kps h ASP 6 CO 0.00 0.13 1.57 0.18 -1.03 0.00 0.00 179.24 180.08 2kps n LEU 7 N -4.18 0.58 -4.52 0.15 4.77 -1.26 -4.82 117.00 107.73 2kps n LEU 7 Ca -0.02 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 2kps n LEU 7 Cb 0.21 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 2kps n LEU 7 CO 0.34 -0.76 1.26 -2.16 -1.33 0.00 0.00 177.39 174.74 2kps s PRO 8 N 7.67 3.50 -0.16 3.23 0.04 -1.26 -4.68 135.00 143.34 2kps s PRO 8 Ca 1.28 -1.13 -0.13 0.00 0.04 0.00 0.00 61.00 61.05 2kps s PRO 8 Cb -1.32 -5.01 -0.05 0.00 0.04 0.00 0.00 34.50 28.17 2kps s PRO 8 CO 0.55 -2.07 0.27 0.42 0.04 0.00 0.00 177.00 176.21 2kps s ILE 9 N 4.46 5.32 -0.08 0.56 1.01 -1.26 -4.44 121.20 126.77 2kps s ILE 9 Ca 0.39 0.49 -0.14 0.00 0.00 0.00 0.00 60.65 61.40 2kps s ILE 9 Cb -0.04 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 2kps s ILE 9 CO -0.05 0.41 0.35 -0.69 0.00 0.00 0.00 174.94 174.95 2kps s VAL 10 N 0.38 5.20 -0.16 2.92 1.01 -1.26 -4.98 120.40 123.51 2kps s VAL 10 Ca 0.15 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 2kps s VAL 10 Cb -0.13 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.64 2kps s VAL 10 CO 0.03 0.50 -0.01 -0.22 0.00 0.00 0.00 175.10 175.40 2kps s LEU 11 N -0.39 1.29 0.00 3.92 2.96 -1.26 -3.34 118.68 121.86 2kps s LEU 11 Ca 0.21 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 2kps s LEU 11 Cb -0.15 -0.72 0.00 0.00 0.50 0.00 0.00 46.19 45.83 2kps s LEU 11 CO 0.09 -0.23 0.00 -2.11 -1.32 0.00 0.00 176.35 172.78 2kps n ARG 12 N 4.98 2.25 0.00 1.98 1.85 -1.26 -4.81 116.66 121.65 2kps n ARG 12 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 2kps n ARG 12 Cb 0.48 -0.58 0.00 0.00 -1.05 0.00 0.00 32.46 31.31 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 -0.56 0.00 -4.70 2.89 4.13 -1.26 -4.54 115.26 111.22 2kps n ASN 13 Ca 0.00 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.88 2kps n ASN 13 Cb 0.05 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.22 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 -0.35 4.22 0.54 3.41 1.43 -1.26 -3.93 118.68 122.75 2kps s LEU 14 Ca 0.00 0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 53.56 2kps s LEU 14 Cb 0.00 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 43.56 2kps s LEU 14 CO 0.00 -0.01 0.53 -2.65 0.23 0.00 0.00 176.35 174.44 2kps n PRO 15 N 3.96 0.54 0.16 1.29 -0.02 -1.26 -4.81 135.00 134.86 2kps n PRO 15 Ca -0.08 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.72 2kps n PRO 15 Cb 0.51 -1.67 0.58 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.36 0.00 -0.40 -0.52 5.08 -1.97 0.86 114.58 117.99 2kps h GLU 16 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 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 0.48 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.24 2kps n ASP 17 N -2.30 3.45 -4.04 1.42 8.00 -1.26 -4.87 116.55 116.96 2kps n ASP 17 Ca -0.00 -1.98 -0.10 0.00 0.71 0.00 0.00 54.79 53.42 2kps n ASP 17 Cb 0.10 -0.26 -0.11 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.42 2.32 0.29 0.64 2.96 0.30 -2.28 118.68 121.48 2kps s LEU 18 Ca 0.38 -0.66 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 2kps s LEU 18 Cb 0.22 0.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.95 2kps s LEU 18 CO 0.31 -0.36 0.39 0.68 -1.32 0.00 0.00 176.35 176.05 2kps s VAL 19 N -2.17 0.00 0.02 1.68 -7.23 -1.13 -4.34 120.40 107.23 2kps s VAL 19 Ca -0.07 -1.66 0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2kps s VAL 19 Cb -0.05 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 2kps s VAL 19 CO -0.03 0.00 -0.24 -0.22 -0.31 0.00 0.00 175.10 174.30 2kps s LEU 20 N -3.17 2.12 0.00 1.32 0.20 -1.26 -2.66 118.68 115.23 2kps s LEU 20 Ca 0.31 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.63 2kps s LEU 20 Cb 0.01 -1.16 0.00 0.00 -0.43 0.00 0.00 46.19 44.61 2kps s LEU 20 CO 0.16 0.24 0.63 -1.84 -0.29 0.00 0.00 176.35 175.25 2kps n GLU 21 N 2.09 0.35 -0.06 1.98 0.28 -1.25 -4.66 120.64 119.37 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 0.52 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.07 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 1.59 0.00 -0.37 3.44 3.00 -1.26 -4.89 118.16 119.67 2kps n LYS 22 Ca 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 58.31 58.36 2kps n LYS 22 Cb 0.18 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.25 2kps n LYS 22 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2kps n PRO 23 N 2.47 -0.22 -2.07 1.64 -0.02 -1.26 -4.90 135.00 130.64 2kps n PRO 23 Ca 0.00 1.48 -0.01 0.00 -2.02 0.00 0.00 63.50 62.96 2kps n PRO 23 Cb 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 -5.43 -3.92 0.00 2.45 4.77 -1.26 -4.86 117.00 108.75 2kps n LEU 24 Ca 0.10 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2kps n LEU 24 Cb 0.39 -1.88 0.02 0.00 -2.33 0.00 0.00 43.42 39.62 2kps n LEU 24 CO -0.13 -0.54 0.24 -2.65 -1.33 0.00 0.00 177.39 172.98 2kps n PRO 25 N -1.08 0.02 0.00 3.23 -0.02 -1.26 -4.32 135.00 131.56 2kps n PRO 25 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2kps n PRO 25 Cb 0.42 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2kps n PRO 25 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2kps n GLU 26 N -0.95 0.00 -3.06 -0.52 2.13 -1.26 -4.71 120.64 112.26 2kps n GLU 26 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 2kps n GLU 26 Cb 0.00 -1.26 0.01 0.00 0.27 0.00 0.00 31.44 30.46 2kps n GLU 26 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2kps s VAL 27 N 2.08 3.13 0.20 6.31 1.01 -1.26 -5.07 120.40 126.81 2kps s VAL 27 Ca 0.00 -1.00 0.11 0.00 0.00 0.00 0.00 61.98 61.09 2kps s VAL 27 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2kps s VAL 27 CO 0.00 -0.02 -0.21 -0.44 0.00 0.00 0.00 175.10 174.43 2kps s SER 28 N -4.33 3.21 0.08 3.32 0.01 -1.26 -4.94 113.70 109.79 2kps s SER 28 Ca 0.54 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.90 2kps s SER 28 Cb -0.10 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 2kps s SER 28 CO 0.33 0.04 -0.06 0.68 0.41 0.00 0.00 173.24 174.64 2kps s VAL 29 N -2.02 0.57 -0.27 3.43 -7.23 -1.26 -4.73 120.40 108.89 2kps s VAL 29 Ca 0.21 -1.79 0.19 0.00 -1.81 0.00 0.00 61.98 58.79 2kps s VAL 29 Cb -0.06 -1.49 0.50 0.00 0.56 0.00 0.00 36.38 35.88 2kps s VAL 29 CO 0.10 -0.83 1.12 0.41 -0.31 0.00 0.00 175.10 175.59 2kps n THR 30 N 0.20 1.54 -3.73 5.32 -1.04 -1.26 -5.09 114.28 110.22 2kps n THR 30 Ca -0.14 -3.23 -0.31 0.00 -2.04 0.00 0.00 64.05 58.33 2kps n THR 30 Cb 0.60 0.73 -0.04 0.00 -1.82 0.00 0.00 70.33 69.79 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 -3.97 5.22 0.20 12.58 -1.09 -1.26 -4.50 121.20 128.38 2kps s ILE 31 Ca 0.32 -0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.53 2kps s ILE 31 Cb 0.35 -3.64 -0.01 0.00 -1.58 0.00 0.00 42.46 37.57 2kps s ILE 31 CO -0.02 0.02 0.34 0.00 -1.23 0.00 0.00 174.94 174.05 2kps s ARG 32 N -2.74 1.32 0.00 2.79 1.70 -1.26 -5.06 118.95 115.71 2kps s ARG 32 Ca 0.39 -1.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 2kps s ARG 32 Cb -0.12 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2kps s ARG 32 CO 0.26 -0.51 0.00 0.00 -1.08 0.00 0.00 175.30 173.97 2kps n ALA 33 N -0.29 0.00 -2.12 7.88 0.00 -1.26 -4.62 120.51 120.10 2kps n ALA 33 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 2kps n ALA 33 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.55 3.70 0.39 0.00 1.51 -1.26 -4.93 117.35 113.21 2kps s TYR 34 Ca 0.00 1.70 0.19 0.00 -1.01 0.00 0.00 57.07 57.95 2kps s TYR 34 Cb 0.00 -3.17 1.15 0.00 -0.11 0.00 0.00 41.96 39.83 2kps s TYR 34 CO 0.00 -0.23 1.71 -1.35 -1.11 0.00 0.00 175.55 174.57 2kps h PRO 35 N 5.24 0.32 0.42 -1.71 0.11 -2.01 -1.28 132.00 133.09 2kps h PRO 35 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2kps h PRO 35 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2kps h PRO 35 CO 0.72 0.21 -0.28 0.93 -0.21 0.00 0.00 178.00 179.37 2kps h GLU 36 N 0.33 -0.65 0.00 1.05 4.39 -1.97 2.05 114.58 119.77 2kps h GLU 36 Ca 0.68 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.40 2kps h GLU 36 Cb 1.75 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 30.55 2kps h GLU 36 CO -0.40 -0.44 -0.09 0.82 -1.16 0.00 0.00 179.01 177.74 2kps h ILE 37 N -0.68 0.54 0.00 3.13 2.04 -1.66 -1.63 117.51 119.25 2kps h ILE 37 Ca -0.04 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2kps h ILE 37 Cb 0.57 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2kps h ILE 37 CO 0.03 0.09 -1.18 0.18 0.00 0.00 0.00 178.15 177.26 2kps n LEU 38 N -3.68 0.68 0.08 1.44 4.77 -0.70 -2.34 117.00 117.26 2kps n LEU 38 Ca -0.02 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 2kps n LEU 38 Cb 0.20 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 2kps n LEU 38 CO 0.29 -0.15 0.07 -1.13 -1.33 0.00 0.00 177.39 175.15 2kps h ASN 39 N 0.00 0.21 0.00 -1.43 -1.24 0.42 -3.39 115.58 110.16 2kps h ASN 39 Ca 0.00 -0.22 -0.18 0.00 0.71 0.00 0.00 56.30 56.61 2kps h ASN 39 Cb 0.99 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.94 2kps h ASN 39 CO 0.00 1.15 -1.41 0.59 -1.29 0.00 0.00 177.43 176.48 2kps n ASN 40 N -3.47 1.91 -4.48 1.15 5.03 -0.81 -4.97 115.26 109.62 2kps n ASN 40 Ca -0.04 0.41 -0.40 0.00 0.87 0.00 0.00 54.58 55.42 2kps n ASN 40 Cb 0.96 -0.83 0.02 0.00 -1.02 0.00 0.00 39.78 38.91 2kps n ASN 40 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2kps n LEU 41 N -4.42 0.67 -4.20 3.41 7.94 -0.99 -4.99 117.00 114.41 2kps n LEU 41 Ca -0.28 0.83 -0.26 0.00 -1.11 0.00 0.00 56.01 55.19 2kps n LEU 41 Cb 0.61 -1.17 -0.15 0.00 0.53 0.00 0.00 43.42 43.23 2kps n LEU 41 CO 0.13 -2.83 -0.52 0.28 -1.11 0.00 0.00 177.39 173.34 2kps s THR 42 N -1.59 1.54 0.39 1.96 -1.32 -1.26 -4.84 115.64 110.52 2kps s THR 42 Ca 0.66 -0.88 0.20 0.00 -1.21 0.00 0.00 61.69 60.47 2kps s THR 42 Cb -0.51 -1.29 0.39 0.00 -1.51 0.00 0.00 72.50 69.59 2kps s THR 42 CO 0.56 0.40 1.68 0.11 -2.21 0.00 0.00 174.62 175.16 2kps h LYS 43 N 5.55 0.27 -0.33 7.08 6.56 -1.96 1.05 116.57 134.78 2kps h LYS 43 Ca -0.39 -0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.28 2kps h LYS 43 Cb 1.15 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.73 2kps h LYS 43 CO 0.47 0.18 0.37 1.05 -2.06 0.00 0.00 179.45 179.46 2kps h GLU 44 N 0.28 0.00 -0.23 3.15 4.11 -2.00 0.42 114.58 120.30 2kps h GLU 44 Ca 0.72 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.95 2kps h GLU 44 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 2kps h GLU 44 CO -0.46 0.00 -0.64 0.37 0.07 0.00 0.00 179.01 178.35 2kps h GLN 45 N 0.00 0.82 -6.31 1.06 5.75 0.75 -3.43 115.11 113.74 2kps h GLN 45 Ca 0.16 -0.57 -0.59 0.00 -0.15 0.00 0.00 58.65 57.49 2kps h GLN 45 Cb 0.90 0.09 0.02 0.00 1.07 0.00 0.00 27.48 29.56 2kps h GLN 45 CO -0.00 1.20 1.12 -0.89 -2.65 0.00 0.00 178.83 177.60 2kps n ILE 46 N -3.97 0.59 -3.51 2.39 2.08 0.14 -4.84 119.36 112.24 2kps n ILE 46 Ca -0.05 -0.11 -0.42 0.00 0.56 0.00 0.00 62.75 62.73 2kps n ILE 46 Cb 0.67 -1.97 -0.07 0.00 -0.75 0.00 0.00 39.64 37.52 2kps n ILE 46 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2kps s SER 47 N 3.98 5.84 0.21 4.38 0.01 -0.55 -4.93 113.70 122.64 2kps s SER 47 Ca 0.91 -2.02 -0.13 0.00 1.31 0.00 0.00 55.95 56.01 2kps s SER 47 Cb -0.63 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 63.48 2kps s SER 47 CO 0.48 -0.69 0.60 -0.76 0.41 0.00 0.00 173.24 173.28 2kps s LEU 48 N 1.21 4.23 -0.28 2.44 1.02 -1.26 0.57 118.68 126.60 2kps s LEU 48 Ca 0.07 1.09 -0.18 0.00 0.02 0.00 0.00 54.13 55.14 2kps s LEU 48 Cb -0.25 -3.58 0.10 0.00 0.02 0.00 0.00 46.19 42.48 2kps s LEU 48 CO -0.01 -0.02 0.79 0.86 0.02 0.00 0.00 176.35 178.00 2kps s TRP 49 N -1.68 -0.86 0.19 0.29 -0.11 -1.26 -3.99 118.94 111.52 2kps s TRP 49 Ca 0.44 1.78 0.06 0.00 1.22 0.00 0.00 56.10 59.60 2kps s TRP 49 Cb -0.13 0.50 -0.04 0.00 -1.50 0.00 0.00 33.47 32.30 2kps s TRP 49 CO 0.20 -0.42 0.11 0.42 -4.62 0.00 0.00 176.95 172.63 2kps s ILE 50 N 1.31 4.25 -0.37 5.86 1.01 -1.21 -3.32 121.20 128.72 2kps s ILE 50 Ca -0.08 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.33 2kps s ILE 50 Cb -0.05 -3.19 0.11 0.00 0.01 0.00 0.00 42.46 39.34 2kps s ILE 50 CO -0.15 -0.18 0.11 1.51 0.00 0.00 0.00 174.94 176.23 2kps s ASP 51 N -3.26 4.42 -0.62 3.58 -4.77 -1.26 -4.75 116.67 110.02 2kps s ASP 51 Ca 0.31 -2.21 -0.02 0.00 -3.30 0.00 0.00 52.55 47.33 2kps s ASP 51 Cb -0.09 -1.39 0.37 0.00 -1.09 0.00 0.00 42.92 40.72 2kps s ASP 51 CO 0.22 -0.36 2.07 0.00 0.70 0.00 0.00 175.17 177.81 2kps n ALA 52 N 4.16 6.15 -2.56 2.11 0.00 -1.26 -4.90 120.51 124.20 2kps n ALA 52 Ca 0.03 -3.20 -0.43 0.00 0.00 0.00 0.00 53.44 49.84 2kps n ALA 52 Cb 0.40 -1.75 -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 -0.08 0.00 0.00 0.00 177.50 177.42 2kps s THR 53 N -4.24 4.49 0.00 0.00 -1.32 -1.25 -3.07 115.64 110.24 2kps s THR 53 Ca 0.56 1.78 0.00 0.00 -1.21 0.00 0.00 61.69 62.82 2kps s THR 53 Cb 0.44 -4.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 2kps s THR 53 CO -0.08 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 172.72 2kps n GLY 54 N 3.56 3.32 3.38 6.08 0.00 -1.26 -5.06 105.19 115.20 2kps n GLY 54 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.52 -1.72 -1.82 1.61 4.01 -1.18 -5.03 118.16 112.51 2kps n LYS 55 Ca 0.00 -0.48 -0.02 0.00 -0.51 0.00 0.00 58.31 57.31 2kps n LYS 55 Cb 0.00 -1.91 0.01 0.00 -0.51 0.00 0.00 35.03 32.62 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 -4.53 -0.53 -1.73 7.82 0.00 -1.26 -4.88 120.51 115.39 2kps n ALA 56 Ca 0.03 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 2kps n ALA 56 Cb 0.58 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.15 2.26 0.00 0.00 0.31 -1.26 -4.66 118.33 114.82 2kps n VAL 57 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2kps n VAL 57 Cb 0.15 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 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 0.64 0.06 2.92 2.92 0.00 -1.26 -5.01 105.19 105.46 2kps n GLY 58 Ca 0.04 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.15 1.31 -0.02 1.61 2.02 -1.26 -2.02 118.70 120.19 2kps s GLU 59 Ca 0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 2kps s GLU 59 Cb 0.00 -1.29 0.00 0.00 0.10 0.00 0.00 34.13 32.95 2kps s GLU 59 CO 0.00 -0.14 0.09 -1.01 0.02 0.00 0.00 175.26 174.22 2kps s HIS 60 N 1.24 -0.01 0.13 1.61 3.76 -1.25 -5.03 115.29 115.75 2kps s HIS 60 Ca -0.05 0.04 -0.15 0.00 -0.15 0.00 0.00 55.06 54.76 2kps s HIS 60 Cb -0.14 -0.02 -0.07 0.00 1.11 0.00 0.00 32.58 33.46 2kps s HIS 60 CO -0.02 -0.13 0.54 -0.08 -0.85 0.00 0.00 174.74 174.20 2kps s THR 61 N -0.53 4.85 -0.02 1.30 -1.32 -1.26 -4.02 115.64 114.64 2kps s THR 61 Ca -0.06 0.86 0.03 0.00 -1.21 0.00 0.00 61.69 61.31 2kps s THR 61 Cb -0.04 -3.75 -0.00 0.00 -1.51 0.00 0.00 72.50 67.20 2kps s THR 61 CO 0.00 0.28 -0.11 0.68 -2.21 0.00 0.00 174.62 173.26 2kps s VAL 62 N -1.42 0.93 0.17 5.08 -7.23 0.05 -4.98 120.40 113.00 2kps s VAL 62 Ca 0.36 -0.46 -0.22 0.00 -1.81 0.00 0.00 61.98 59.86 2kps s VAL 62 Cb -0.15 -0.80 -0.08 0.00 0.56 0.00 0.00 36.38 35.90 2kps s VAL 62 CO 0.19 0.28 0.71 -0.54 -0.31 0.00 0.00 175.10 175.43 2kps s LYS 63 N 0.02 4.37 -0.80 4.82 1.02 -1.26 -2.04 119.74 125.88 2kps s LYS 63 Ca -0.01 0.96 -0.19 0.00 0.02 0.00 0.00 55.97 56.75 2kps s LYS 63 Cb -0.08 -3.11 0.12 0.00 -0.52 0.00 0.00 37.83 34.24 2kps s LYS 63 CO 0.00 0.52 0.99 0.42 -0.92 0.00 0.00 175.35 176.37 2kps s ILE 64 N -1.28 4.70 -1.14 2.17 -1.09 -1.21 -4.53 121.20 118.81 2kps s ILE 64 Ca 0.37 -1.24 -0.10 0.00 -2.23 0.00 0.00 60.65 57.45 2kps s ILE 64 Cb -0.20 -4.69 0.25 0.00 -1.58 0.00 0.00 42.46 36.25 2kps s ILE 64 CO 0.23 -1.40 1.19 -0.47 -1.23 0.00 0.00 174.94 173.26 2kps s TYR 65 N 2.86 4.09 0.94 3.97 5.04 -1.21 -4.88 117.35 128.16 2kps s TYR 65 Ca 0.26 -2.56 -0.15 0.00 -2.44 0.00 0.00 57.07 52.17 2kps s TYR 65 Cb -0.11 -3.96 0.17 0.00 0.35 0.00 0.00 41.96 38.41 2kps s TYR 65 CO -0.02 -1.06 1.25 1.67 -1.34 0.00 0.00 175.55 176.05 2kps s TRP 66 N -0.57 1.90 -0.05 4.97 -2.14 -1.26 -4.10 118.94 117.69 2kps s TRP 66 Ca 0.34 0.48 -0.04 0.00 2.66 0.00 0.00 56.10 59.54 2kps s TRP 66 Cb -0.08 -3.85 0.01 0.00 -3.10 0.00 0.00 33.47 26.45 2kps s TRP 66 CO -0.06 -2.53 0.12 -0.65 -2.66 0.00 0.00 176.95 171.17 2kps s GLN 67 N -5.72 0.12 0.03 3.25 -0.21 0.19 -4.94 119.66 112.39 2kps s GLN 67 Ca 0.70 0.19 0.01 0.00 0.02 0.00 0.00 55.36 56.28 2kps s GLN 67 Cb -0.07 0.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.95 2kps s GLN 67 CO 0.52 -0.04 -0.06 -0.48 -2.12 0.00 0.00 175.29 173.12 2kps s LEU 68 N 0.22 2.25 0.00 2.90 0.05 -1.26 -1.48 118.68 121.37 2kps s LEU 68 Ca -0.01 -0.54 0.26 0.00 0.05 0.00 0.00 54.13 53.89 2kps s LEU 68 Cb -0.02 -0.05 1.35 0.00 -2.05 0.00 0.00 46.19 45.41 2kps s LEU 68 CO -0.01 -0.25 1.89 -0.81 -0.55 0.00 0.00 176.35 176.62 2kps n PRO 69 N 1.50 1.25 -1.74 1.48 -0.04 -1.26 -4.88 135.00 131.32 2kps n PRO 69 Ca -0.23 -0.38 -0.30 0.00 -0.04 0.00 0.00 63.50 62.56 2kps n PRO 69 Cb 0.55 -1.43 0.17 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.97 1.99 -0.31 0.55 0.00 -1.26 -5.02 121.76 115.74 2kps s ALA 70 Ca 0.38 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2kps s ALA 70 Cb 0.19 -2.86 0.46 0.00 0.00 0.00 0.00 23.12 20.90 2kps s ALA 70 CO 0.31 -2.46 1.18 0.41 0.00 0.00 0.00 175.76 175.20 2kps n GLY 71 N -3.02 6.29 3.99 0.00 0.00 -1.26 -5.06 105.19 106.13 2kps n GLY 71 Ca 0.12 -2.66 -0.22 0.00 0.00 0.00 0.00 46.02 43.26 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 -4.70 2.31 -0.05 -0.61 -5.25 -1.26 -5.11 121.20 106.52 2kps s ILE 72 Ca 0.50 -0.65 0.04 0.00 -0.99 0.00 0.00 60.65 59.56 2kps s ILE 72 Cb 0.41 -2.66 -0.02 0.00 2.95 0.00 0.00 42.46 43.14 2kps s ILE 72 CO 0.01 0.00 -0.17 -1.61 -1.79 0.00 0.00 174.94 171.38 2kps s GLU 73 N -4.98 2.50 -0.16 0.37 8.01 -1.26 -5.11 118.70 118.07 2kps s GLU 73 Ca 0.63 -0.76 -0.25 0.00 0.01 0.00 0.00 54.97 54.60 2kps s GLU 73 Cb -0.07 -2.32 -0.02 0.00 -4.31 0.00 0.00 34.13 27.42 2kps s GLU 73 CO 0.42 0.56 0.81 0.00 0.01 0.00 0.00 175.26 177.06 2kps s MET 74 N -0.58 4.31 -0.08 1.61 0.23 -1.26 -4.62 119.30 118.91 2kps s MET 74 Ca 0.08 0.99 -0.12 0.00 -1.03 0.00 0.00 55.69 55.62 2kps s MET 74 Cb -0.11 -3.56 -0.09 0.00 -1.53 0.00 0.00 34.83 29.54 2kps s MET 74 CO 0.01 -0.28 0.42 0.28 -2.03 0.00 0.00 175.02 173.42 2kps h VAL 75 N 5.15 0.45 -4.27 5.16 2.07 -1.92 -3.48 116.25 119.40 2kps h VAL 75 Ca -0.31 -1.16 -0.13 0.00 0.82 0.00 0.00 66.70 65.92 2kps h VAL 75 Cb 1.14 0.82 -0.15 0.00 -1.52 0.00 0.00 31.29 31.58 2kps h VAL 75 CO 0.82 0.14 -0.66 -0.44 0.02 0.00 0.00 177.57 177.45 2kps s SER 76 N -5.52 0.44 -0.24 0.57 0.01 -1.26 -5.11 113.70 102.59 2kps s SER 76 Ca -0.07 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.16 2kps s SER 76 Cb -0.00 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.49 2kps s SER 76 CO 0.25 -0.63 -0.12 -0.63 0.41 0.00 0.00 173.24 172.52 2kps s ILE 77 N -3.95 2.38 0.45 1.44 -1.09 -1.26 -4.76 121.20 114.42 2kps s ILE 77 Ca 0.11 -1.26 -0.04 0.00 -2.23 0.00 0.00 60.65 57.23 2kps s ILE 77 Cb 0.08 -2.24 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 2kps s ILE 77 CO -0.07 0.19 0.73 -2.16 -1.23 0.00 0.00 174.94 172.39 2kps s PRO 78 N 1.22 3.53 0.38 2.79 0.04 -1.26 -5.01 135.00 136.70 2kps s PRO 78 Ca -0.02 0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.13 2kps s PRO 78 Cb -0.17 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2kps s PRO 78 CO -0.07 -0.12 0.10 0.16 0.04 0.00 0.00 177.00 177.11 2kps s ASP 79 N -4.07 2.68 -0.02 6.66 -4.77 -1.26 -3.33 116.67 112.56 2kps s ASP 79 Ca 0.46 -1.57 -0.11 0.00 -3.30 0.00 0.00 52.55 48.02 2kps s ASP 79 Cb -0.10 0.32 0.01 0.00 -1.09 0.00 0.00 42.92 42.06 2kps s ASP 79 CO 0.43 -0.82 0.23 0.54 0.70 0.00 0.00 175.17 176.24 2kps s VAL 80 N -3.24 0.06 0.05 2.11 0.11 -0.86 -4.95 120.40 113.67 2kps s VAL 80 Ca 0.27 -0.49 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 2kps s VAL 80 Cb 0.05 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 2kps s VAL 80 CO 0.14 -0.27 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.67 2kps s THR 81 N -1.13 0.58 0.10 5.04 2.01 -1.26 -0.77 115.64 120.21 2kps s THR 81 Ca -0.12 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 60.72 2kps s THR 81 Cb -0.06 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.81 2kps s THR 81 CO 0.03 -0.38 0.24 -1.22 -0.69 0.00 0.00 174.62 172.59 2kps n TYR 82 N 1.41 -1.31 -4.43 4.92 4.01 -1.26 -5.05 117.16 115.46 2kps n TYR 82 Ca -0.22 -0.51 -0.33 0.00 -0.16 0.00 0.00 57.90 56.67 2kps n TYR 82 Cb 0.55 0.25 -0.10 0.00 -0.31 0.00 0.00 39.34 39.73 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 -2.70 3.94 -0.07 -0.72 2.01 -1.26 -3.83 115.64 113.02 2kps s THR 83 Ca 0.05 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2kps s THR 83 Cb -0.01 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 2kps s THR 83 CO 0.03 0.48 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.54 2kps s LEU 84 N -1.21 2.74 -0.07 4.42 1.43 -0.86 -3.97 118.68 121.16 2kps s LEU 84 Ca 0.16 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 2kps s LEU 84 Cb -0.11 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2kps s LEU 84 CO 0.06 0.31 -0.25 -1.59 0.23 0.00 0.00 176.35 175.11 2kps s LYS 85 N -0.52 2.72 0.50 1.70 -2.85 -1.09 -3.98 119.74 116.21 2kps s LYS 85 Ca 0.07 -0.89 -0.21 0.00 -1.00 0.00 0.00 55.97 53.93 2kps s LYS 85 Cb -0.12 -2.20 -0.09 0.00 -2.06 0.00 0.00 37.83 33.36 2kps s LYS 85 CO 0.02 0.31 0.89 0.00 0.10 0.00 0.00 175.35 176.66 2kps n ALA 86 N 3.15 -0.14 -1.70 0.59 0.00 -1.26 -2.86 120.51 118.29 2kps n ALA 86 Ca -0.18 0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 2kps n ALA 86 Cb 0.52 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.18 2.53 -2.77 0.00 4.81 -0.97 -4.79 118.16 116.78 2kps n LYS 87 Ca 0.11 0.91 -0.02 0.00 -0.87 0.00 0.00 58.31 58.44 2kps n LYS 87 Cb 0.43 -2.72 0.02 0.00 0.02 0.00 0.00 35.03 32.78 2kps n LYS 87 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2kps s GLU 88 N 0.86 0.59 0.45 1.64 2.12 -1.26 -4.99 118.70 118.10 2kps s GLU 88 Ca 0.75 -0.50 -0.25 0.00 0.36 0.00 0.00 54.97 55.33 2kps s GLU 88 Cb -0.57 -0.01 -0.08 0.00 0.26 0.00 0.00 34.13 33.74 2kps s GLU 88 CO 0.36 -0.75 1.33 -0.51 -0.54 0.00 0.00 175.26 175.16 2kps s ASP 89 N 1.16 6.01 0.26 -1.70 1.11 -1.26 -4.94 116.67 117.31 2kps s ASP 89 Ca 0.24 2.70 0.07 0.00 0.18 0.00 0.00 52.55 55.74 2kps s ASP 89 Cb 0.05 -2.64 0.32 0.00 1.07 0.00 0.00 42.92 41.72 2kps s ASP 89 CO -0.09 -1.06 1.60 1.55 1.18 0.00 0.00 175.17 178.35 2kps h PRO 90 N 2.31 0.16 -0.29 8.23 0.13 -2.03 -3.09 132.00 137.42 2kps h PRO 90 Ca -0.50 -0.11 -0.05 0.00 -0.87 0.00 0.00 66.00 64.47 2kps h PRO 90 Cb 1.26 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2kps h PRO 90 CO 0.61 0.70 -0.05 1.37 -0.23 0.00 0.00 178.00 180.39 2kps h LEU 91 N 0.12 0.43 -8.00 1.56 8.10 -2.08 -3.36 115.31 112.08 2kps h LEU 91 Ca -0.00 -0.09 -0.30 0.00 0.11 0.00 0.00 57.88 57.60 2kps h LEU 91 Cb 1.06 -0.11 -0.04 0.00 -0.44 0.00 0.00 40.66 41.13 2kps h LEU 91 CO 0.09 0.54 0.96 -0.70 -4.11 0.00 0.00 178.44 175.21 2kps s GLU 92 N -4.87 2.37 -0.74 0.17 2.56 -1.17 -4.78 118.70 112.24 2kps s GLU 92 Ca -0.07 -1.05 -0.06 0.00 0.00 0.00 0.00 54.97 53.80 2kps s GLU 92 Cb 0.15 -5.21 -0.01 0.00 2.00 0.00 0.00 34.13 31.06 2kps s GLU 92 CO 0.76 -4.10 2.88 1.58 -0.56 0.00 0.00 175.26 175.82 2kps n HIS 93 N 14.88 1.63 -0.20 5.30 -0.00 -1.26 -4.57 115.22 131.00 2kps n HIS 93 Ca 0.44 -2.23 -0.05 0.00 -0.00 0.00 0.00 57.72 55.88 2kps n HIS 93 Cb 0.47 -1.70 0.11 0.00 -0.00 0.00 0.00 29.99 28.87 2kps n HIS 93 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kps h HIS 94 N 3.69 1.04 -5.33 1.57 2.76 -1.94 -3.48 115.15 113.45 2kps h HIS 94 Ca 0.50 -0.12 0.01 0.00 -2.20 0.00 0.00 60.37 58.56 2kps h HIS 94 Cb 0.72 -0.30 -0.08 0.00 1.55 0.00 0.00 27.41 29.30 2kps h HIS 94 CO 1.63 0.86 -1.17 1.58 -1.30 0.00 0.00 177.93 179.53 2kps n HIS 95 N -4.24 -3.31 -0.17 5.26 -0.00 -1.26 -4.87 115.22 106.62 2kps n HIS 95 Ca 0.05 1.84 -0.07 0.00 0.46 0.00 0.00 57.72 60.00 2kps n HIS 95 Cb 0.25 -3.21 0.02 0.00 -0.12 0.00 0.00 29.99 26.93 2kps n HIS 95 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kps h HIS 96 N 4.14 0.64 -5.77 1.57 2.76 -1.99 -3.47 115.15 113.02 2kps h HIS 96 Ca -0.35 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 57.73 2kps h HIS 96 Cb 0.83 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.58 2kps h HIS 96 CO 0.00 0.42 -0.89 1.58 -1.30 0.00 0.00 177.93 177.74 2kps n HIS 97 N -4.72 -2.82 0.16 5.26 -0.00 -1.26 -5.33 115.22 106.51 2kps n HIS 97 Ca 0.02 1.18 0.01 0.00 -0.00 0.00 0.00 57.72 58.94 2kps n HIS 97 Cb 0.03 -2.95 0.08 0.00 -0.00 0.00 0.00 29.99 27.15 2kps n HIS 97 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95