#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kj2 n THR 2 N 0.00 -0.26 0.02 2.52 -1.04 -1.26 -4.89 114.28 109.36 1kj2 n THR 2 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1kj2 n THR 2 Cb 0.00 -1.66 -0.14 0.00 -1.82 0.00 0.00 70.33 66.71 1kj2 n THR 2 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1kj2 h LEU 3 N 0.00 0.39 -9.33 -4.42 5.85 -2.00 -3.45 115.31 102.35 1kj2 h LEU 3 Ca -0.28 -0.87 -0.52 0.00 0.84 0.00 0.00 57.88 57.05 1kj2 h LEU 3 Cb 1.00 -0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.76 1kj2 h LEU 3 CO 0.37 1.56 -0.62 -0.76 -0.34 0.00 0.00 178.44 178.65 1kj2 s LEU 4 N -7.64 2.42 -0.10 2.25 1.43 -1.26 -2.08 118.68 113.69 1kj2 s LEU 4 Ca -0.18 -1.34 -0.03 0.00 -1.03 0.00 0.00 54.13 51.54 1kj2 s LEU 4 Cb 0.04 -0.56 0.04 0.00 0.03 0.00 0.00 46.19 45.73 1kj2 s LEU 4 CO 0.78 -0.52 0.06 -0.70 0.23 0.00 0.00 176.35 176.19 1kj2 s GLU 5 N -3.82 0.16 -0.20 1.70 2.12 -0.35 -4.95 118.70 113.35 1kj2 s GLU 5 Ca 0.35 0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.76 1kj2 s GLU 5 Cb 0.08 -1.19 -0.00 0.00 0.26 0.00 0.00 34.13 33.28 1kj2 s GLU 5 CO 0.16 -0.47 -0.09 -1.14 -0.54 0.00 0.00 175.26 173.17 1kj2 s GLN 6 N 2.10 3.27 -0.01 4.30 0.74 -1.26 -1.37 119.66 127.42 1kj2 s GLN 6 Ca 0.03 -0.69 0.01 0.00 0.05 0.00 0.00 55.36 54.77 1kj2 s GLN 6 Cb -0.14 -2.87 0.00 0.00 1.10 0.00 0.00 33.01 31.11 1kj2 s GLN 6 CO -0.06 -0.18 -0.03 -0.80 -0.55 0.00 0.00 175.29 173.67 1kj2 s ASN 7 N 1.36 0.40 1.04 6.67 0.01 -1.18 -4.50 114.94 118.74 1kj2 s ASN 7 Ca 0.05 -0.06 -0.05 0.00 -0.71 0.00 0.00 52.86 52.09 1kj2 s ASN 7 Cb -0.14 -0.07 0.07 0.00 0.41 0.00 0.00 41.25 41.52 1kj2 s ASN 7 CO -0.05 0.02 0.32 -0.81 -1.51 0.00 0.00 177.10 175.07 1kj2 n PRO 8 N 3.14 -1.04 -0.09 -0.60 -0.04 -1.26 -3.15 135.00 131.97 1kj2 n PRO 8 Ca -0.14 -0.50 -0.09 0.00 -0.04 0.00 0.00 63.50 62.73 1kj2 n PRO 8 Cb 0.58 -0.41 -0.14 0.00 -0.04 0.00 0.00 33.50 33.49 1kj2 n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1kj2 n ARG 9 N -2.11 1.15 -3.78 0.54 0.00 -1.26 -4.51 116.66 106.68 1kj2 n ARG 9 Ca 0.04 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.85 57.77 1kj2 n ARG 9 Cb 0.16 -1.45 -0.08 0.00 0.00 0.00 0.00 32.46 31.09 1kj2 n ARG 9 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 1kj2 s TRP 10 N -2.43 -0.07 -0.23 -0.14 -0.00 -1.26 -2.42 118.94 112.40 1kj2 s TRP 10 Ca -0.09 -0.06 -0.28 0.00 -0.00 0.00 0.00 56.10 55.67 1kj2 s TRP 10 Cb 0.05 0.06 0.14 0.00 -0.00 0.00 0.00 33.47 33.73 1kj2 s TRP 10 CO 0.72 -0.47 1.11 0.50 -0.00 0.00 0.00 176.95 178.81 1kj2 s ARG 11 N -2.39 0.43 -0.19 5.86 6.06 -0.53 -4.90 118.95 123.29 1kj2 s ARG 11 Ca -0.06 0.24 -0.07 0.00 -2.50 0.00 0.00 55.73 53.34 1kj2 s ARG 11 Cb -0.02 0.21 -0.04 0.00 0.06 0.00 0.00 34.95 35.16 1kj2 s ARG 11 CO -0.02 -0.11 0.05 -0.51 -2.50 0.00 0.00 175.30 172.20 1kj2 s LEU 12 N -0.61 3.65 -0.10 -0.88 1.43 -1.26 -2.14 118.68 118.78 1kj2 s LEU 12 Ca 0.02 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1kj2 s LEU 12 Cb -0.02 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1kj2 s LEU 12 CO -0.04 0.14 -0.13 0.54 0.23 0.00 0.00 176.35 177.10 1kj2 s VAL 13 N 0.55 3.15 -0.54 -1.59 0.11 -1.01 -4.87 120.40 116.21 1kj2 s VAL 13 Ca 0.02 -0.66 -0.28 0.00 -2.93 0.00 0.00 61.98 58.13 1kj2 s VAL 13 Cb -0.13 -2.29 0.03 0.00 -1.53 0.00 0.00 36.38 32.46 1kj2 s VAL 13 CO 0.01 0.55 1.15 -2.16 -3.33 0.00 0.00 175.10 171.33 1kj2 s PRO 14 N -0.16 3.58 0.00 1.54 0.04 -1.26 0.16 135.00 138.90 1kj2 s PRO 14 Ca -0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1kj2 s PRO 14 Cb -0.13 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1kj2 s PRO 14 CO 0.03 -1.55 0.00 -2.13 0.04 0.00 0.00 177.00 173.40 1kj2 n ARG 15 N 8.12 0.00 0.19 4.56 0.63 -1.26 -0.37 116.66 128.53 1kj2 n ARG 15 Ca 0.09 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.08 1kj2 n ARG 15 Cb 0.49 0.00 0.34 0.00 0.45 0.00 0.00 32.46 33.74 1kj2 n ARG 15 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1kj2 h GLY 16 N 0.00 0.00 -2.17 5.14 0.00 -1.94 -3.43 103.07 100.67 1kj2 h GLY 16 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1kj2 h GLY 16 CO 0.00 0.00 -0.73 1.20 0.00 0.00 0.00 176.54 177.01 1kj2 s GLN 17 N -3.59 1.77 0.87 4.80 -1.52 0.50 -4.88 119.66 117.61 1kj2 s GLN 17 Ca 0.00 -1.78 -0.15 0.00 -1.95 0.00 0.00 55.36 51.49 1kj2 s GLN 17 Cb 0.11 -1.79 0.21 0.00 -0.22 0.00 0.00 33.01 31.32 1kj2 s GLN 17 CO 0.68 0.29 0.86 0.00 -0.25 0.00 0.00 175.29 176.87 1kj2 n ALA 18 N -0.69 -2.22 -3.30 6.09 0.00 -1.26 -4.61 120.51 114.52 1kj2 n ALA 18 Ca -0.05 -1.24 -0.14 0.00 0.00 0.00 0.00 53.44 52.02 1kj2 n ALA 18 Cb 0.61 -0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 1kj2 n ALA 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1kj2 s VAL 19 N -2.65 0.02 -0.11 0.00 1.01 -0.68 -4.94 120.40 113.05 1kj2 s VAL 19 Ca 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1kj2 s VAL 19 Cb -0.04 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1kj2 s VAL 19 CO 0.40 -0.09 -0.09 0.20 0.00 0.00 0.00 175.10 175.53 1kj2 s ASN 20 N -0.39 2.18 0.38 3.32 -0.87 -1.26 -0.15 114.94 118.15 1kj2 s ASN 20 Ca -0.05 -0.33 0.02 0.00 -1.57 0.00 0.00 52.86 50.94 1kj2 s ASN 20 Cb -0.03 -0.88 -0.01 0.00 -0.02 0.00 0.00 41.25 40.30 1kj2 s ASN 20 CO 0.02 -0.09 0.57 -0.76 -2.57 0.00 0.00 177.10 174.27 1kj2 s LEU 21 N 1.52 3.87 -0.13 0.60 2.01 0.11 -4.85 118.68 121.81 1kj2 s LEU 21 Ca 0.02 0.18 -0.06 0.00 0.01 0.00 0.00 54.13 54.28 1kj2 s LEU 21 Cb -0.13 -3.06 0.05 0.00 0.01 0.00 0.00 46.19 43.06 1kj2 s LEU 21 CO -0.07 -0.49 0.30 0.00 1.01 0.00 0.00 176.35 177.10 1kj2 s ARG 22 N -4.36 0.26 -0.14 1.70 1.70 -1.19 -2.52 118.95 114.40 1kj2 s ARG 22 Ca 0.44 0.64 -0.02 0.00 -0.47 0.00 0.00 55.73 56.32 1kj2 s ARG 22 Cb -0.10 -0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.19 1kj2 s ARG 22 CO 0.35 -0.18 -0.06 0.00 -1.08 0.00 0.00 175.30 174.33 1kj2 s ILE 24 N 0.20 2.53 -0.21 0.00 -1.09 -0.47 -0.90 121.20 121.26 1kj2 s ILE 24 Ca -0.03 -0.85 -0.17 0.00 -2.23 0.00 0.00 60.65 57.37 1kj2 s ILE 24 Cb -0.14 -2.02 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 1kj2 s ILE 24 CO 0.03 0.54 0.44 -0.22 -1.23 0.00 0.00 174.94 174.50 1kj2 s LEU 25 N 0.40 4.14 -0.17 2.97 2.96 0.20 -1.21 118.68 127.98 1kj2 s LEU 25 Ca -0.14 0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 54.16 1kj2 s LEU 25 Cb -0.17 -2.57 -0.13 0.00 0.50 0.00 0.00 46.19 43.83 1kj2 s LEU 25 CO 0.06 -0.12 0.11 0.11 -1.32 0.00 0.00 176.35 175.20 1kj2 h LYS 26 N 7.46 0.00 -5.62 1.98 1.57 -1.73 -3.44 116.57 116.79 1kj2 h LYS 26 Ca -0.35 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.81 1kj2 h LYS 26 Cb 1.16 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.33 1kj2 h LYS 26 CO 0.72 0.57 0.50 1.21 -0.57 0.00 0.00 179.45 181.87 1kj2 s ASN 27 N -6.30 6.27 0.00 0.86 3.84 -1.25 -4.95 114.94 113.42 1kj2 s ASN 27 Ca -0.21 -0.62 0.09 0.00 0.21 0.00 0.00 52.86 52.33 1kj2 s ASN 27 Cb 0.03 -2.41 0.51 0.00 -0.55 0.00 0.00 41.25 38.83 1kj2 s ASN 27 CO 0.42 -1.26 0.99 -0.24 -2.79 0.00 0.00 177.10 174.22 1kj2 n SER 28 N 7.39 0.00 -0.03 -4.21 2.88 -1.26 -2.85 113.62 115.54 1kj2 n SER 28 Ca -0.01 -0.82 0.05 0.00 -1.33 0.00 0.00 58.87 56.76 1kj2 n SER 28 Cb 0.47 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.21 1kj2 n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kj2 n GLN 29 N -0.75 1.04 -3.14 -1.46 6.02 -1.26 -3.76 117.38 114.07 1kj2 n GLN 29 Ca 0.06 -0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1kj2 n GLN 29 Cb 0.03 -1.16 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 1kj2 n GLN 29 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1kj2 n TYR 30 N -0.60 -0.40 0.33 1.08 4.01 -1.13 -4.39 117.16 116.05 1kj2 n TYR 30 Ca 0.08 -3.51 0.11 0.00 -0.16 0.00 0.00 57.90 54.42 1kj2 n TYR 30 Cb 0.05 -0.16 0.51 0.00 -0.31 0.00 0.00 39.34 39.42 1kj2 n TYR 30 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1kj2 n PRO 30 N 0.79 0.17 -2.87 -0.72 -0.02 -1.20 -3.90 135.00 127.26 1kj2 n PRO 30 Ca 0.21 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 1kj2 n PRO 30 Cb 0.61 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 1kj2 n PRO 30 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1kj2 s TRP 31 N -3.37 3.02 -0.10 6.00 0.52 -0.62 -4.59 118.94 119.79 1kj2 s TRP 31 Ca 0.02 0.50 0.00 0.00 0.02 0.00 0.00 56.10 56.65 1kj2 s TRP 31 Cb 0.08 -3.72 -0.02 0.00 -1.15 0.00 0.00 33.47 28.66 1kj2 s TRP 31 CO 0.33 -0.93 -0.10 -1.64 0.02 0.00 0.00 176.95 174.63 1kj2 s MET 32 N 3.47 3.06 0.30 4.98 -1.94 -0.99 -0.16 119.30 128.02 1kj2 s MET 32 Ca 0.35 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.73 1kj2 s MET 32 Cb -0.12 -2.60 -0.06 0.00 2.01 0.00 0.00 34.83 34.06 1kj2 s MET 32 CO 0.22 0.43 0.07 -1.12 -0.01 0.00 0.00 175.02 174.61 1kj2 s SER 33 N -0.20 1.90 -0.04 3.03 0.01 0.91 -0.91 113.70 118.38 1kj2 s SER 33 Ca 0.01 -1.38 0.02 0.00 1.31 0.00 0.00 55.95 55.91 1kj2 s SER 33 Cb -0.13 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1kj2 s SER 33 CO 0.03 -0.66 -0.08 0.26 0.41 0.00 0.00 173.24 173.20 1kj2 s TRP 34 N -3.48 0.98 0.11 2.43 0.23 -0.39 -1.46 118.94 117.35 1kj2 s TRP 34 Ca 0.37 -0.30 0.05 0.00 -2.03 0.00 0.00 56.10 54.20 1kj2 s TRP 34 Cb 0.08 -0.77 -0.04 0.00 0.03 0.00 0.00 33.47 32.78 1kj2 s TRP 34 CO 0.15 -0.19 -0.14 0.71 0.96 0.00 0.00 176.95 178.44 1kj2 s TYR 35 N 0.66 1.33 0.15 -1.98 1.51 0.25 -0.14 117.35 119.13 1kj2 s TYR 35 Ca -0.11 -0.54 0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1kj2 s TYR 35 Cb -0.13 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1kj2 s TYR 35 CO 0.01 0.11 -0.15 1.14 -1.11 0.00 0.00 175.55 175.55 1kj2 s GLN 36 N -2.47 1.15 -0.22 -0.62 -2.07 -0.26 0.92 119.66 116.09 1kj2 s GLN 36 Ca 0.06 -1.36 -0.02 0.00 -1.82 0.00 0.00 55.36 52.21 1kj2 s GLN 36 Cb -0.06 -1.05 0.07 0.00 -1.09 0.00 0.00 33.01 30.88 1kj2 s GLN 36 CO 0.02 0.20 0.04 -1.14 -1.32 0.00 0.00 175.29 173.09 1kj2 s GLN 37 N -2.95 0.76 0.95 9.60 0.74 0.37 -0.76 119.66 128.36 1kj2 s GLN 37 Ca 0.14 -0.58 -0.12 0.00 0.05 0.00 0.00 55.36 54.84 1kj2 s GLN 37 Cb -0.04 -2.13 0.16 0.00 1.10 0.00 0.00 33.01 32.11 1kj2 s GLN 37 CO 0.05 -0.70 1.11 0.16 -0.55 0.00 0.00 175.29 175.36 1kj2 s ASP 38 N 1.78 3.10 0.00 6.67 1.47 -1.19 -2.14 116.67 126.37 1kj2 s ASP 38 Ca 0.00 1.10 0.06 0.00 1.18 0.00 0.00 52.55 54.89 1kj2 s ASP 38 Cb -0.17 -1.73 0.28 0.00 -0.34 0.00 0.00 42.92 40.96 1kj2 s ASP 38 CO -0.11 -2.82 1.02 0.18 0.68 0.00 0.00 175.17 174.12 1kj2 n LEU 39 N -3.96 0.00 -1.53 2.11 4.77 -1.25 -0.91 117.00 116.22 1kj2 n LEU 39 Ca 0.06 0.28 0.08 0.00 -0.03 0.00 0.00 56.01 56.40 1kj2 n LEU 39 Cb 0.58 -0.28 0.35 0.00 -2.33 0.00 0.00 43.42 41.74 1kj2 n LEU 39 CO 0.57 -0.23 0.81 0.00 -1.33 0.00 0.00 177.39 177.21 1kj2 n GLN 40 N -1.28 4.02 -0.52 3.23 1.13 -1.26 -4.92 117.38 117.78 1kj2 n GLN 40 Ca 0.03 -2.95 0.00 0.00 -1.94 0.00 0.00 57.00 52.13 1kj2 n GLN 40 Cb 0.04 -2.00 0.00 0.00 0.11 0.00 0.00 30.24 28.39 1kj2 n GLN 40 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1kj2 n LYS 41 N 0.59 0.00 -1.76 -1.09 4.76 -0.09 -4.98 118.16 115.59 1kj2 n LYS 41 Ca 0.25 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.35 1kj2 n LYS 41 Cb 0.99 -2.18 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 1kj2 n LYS 41 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1kj2 s GLN 42 N -0.04 2.27 0.36 1.97 1.11 -1.25 -4.76 119.66 119.33 1kj2 s GLN 42 Ca 0.00 0.94 -0.27 0.00 0.01 0.00 0.00 55.36 56.04 1kj2 s GLN 42 Cb 0.00 -4.56 -0.09 0.00 -1.01 0.00 0.00 33.01 27.35 1kj2 s GLN 42 CO 0.00 -3.19 1.19 -0.51 0.01 0.00 0.00 175.29 172.79 1kj2 s LEU 43 N 11.20 4.31 -0.29 2.90 2.01 -1.26 -3.13 118.68 134.41 1kj2 s LEU 43 Ca 0.85 2.41 -0.13 0.00 0.01 0.00 0.00 54.13 57.27 1kj2 s LEU 43 Cb -0.14 -3.87 0.11 0.00 0.01 0.00 0.00 46.19 42.30 1kj2 s LEU 43 CO 0.21 -0.55 0.68 -1.10 1.01 0.00 0.00 176.35 176.59 1kj2 s GLN 44 N -2.03 0.62 0.42 1.70 -0.21 0.06 -4.95 119.66 115.26 1kj2 s GLN 44 Ca 0.53 1.35 -0.26 0.00 0.02 0.00 0.00 55.36 56.99 1kj2 s GLN 44 Cb -0.33 0.57 -0.09 0.00 1.00 0.00 0.00 33.01 34.16 1kj2 s GLN 44 CO 0.42 -0.18 1.43 1.87 -2.12 0.00 0.00 175.29 176.72 1kj2 n TRP 45 N 4.98 2.74 0.00 0.91 -0.00 -1.26 -1.10 117.44 123.70 1kj2 n TRP 45 Ca -0.15 0.45 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1kj2 n TRP 45 Cb 0.53 -2.48 0.00 0.00 -0.00 0.00 0.00 31.31 29.37 1kj2 n TRP 45 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1kj2 n LEU 46 N 0.07 1.11 -3.51 5.87 4.77 0.80 -4.87 117.00 121.25 1kj2 n LEU 46 Ca 0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1kj2 n LEU 46 Cb 0.40 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1kj2 n LEU 46 CO 0.61 0.17 0.30 -0.36 -1.33 0.00 0.00 177.39 176.78 1kj2 s PHE 47 N -1.98 -0.40 -0.26 -1.77 0.40 -1.13 -4.97 117.98 107.87 1kj2 s PHE 47 Ca 0.00 0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1kj2 s PHE 47 Cb 0.00 0.43 0.13 0.00 0.51 0.00 0.00 43.02 44.09 1kj2 s PHE 47 CO 0.00 -0.78 0.33 0.99 0.70 0.00 0.00 175.22 176.46 1kj2 s THR 48 N -3.72 -0.50 0.00 0.64 2.01 -1.26 -1.27 115.64 111.54 1kj2 s THR 48 Ca 0.02 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 61.82 1kj2 s THR 48 Cb 0.00 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1kj2 s THR 48 CO -0.12 -0.28 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.56 1kj2 s LEU 49 N 2.45 2.41 -0.10 4.42 1.02 -0.09 -4.97 118.68 123.82 1kj2 s LEU 49 Ca 0.10 -0.41 -0.06 0.00 0.02 0.00 0.00 54.13 53.78 1kj2 s LEU 49 Cb -0.14 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.59 1kj2 s LEU 49 CO -0.24 0.30 -0.15 -1.14 0.02 0.00 0.00 176.35 175.14 1kj2 n ARG 50 N 2.03 0.24 -3.79 1.70 0.00 -1.26 -2.35 116.66 113.23 1kj2 n ARG 50 Ca -0.16 0.10 -0.32 0.00 -0.00 0.00 0.00 57.85 57.46 1kj2 n ARG 50 Cb 0.52 -0.90 -0.05 0.00 0.00 0.00 0.00 32.46 32.03 1kj2 n ARG 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1kj2 s SER 51 N -6.02 6.45 0.31 6.15 1.04 -1.26 -4.88 113.70 115.48 1kj2 s SER 51 Ca -0.15 0.47 -0.29 0.00 0.48 0.00 0.00 55.95 56.46 1kj2 s SER 51 Cb 0.05 -2.05 -0.13 0.00 0.10 0.00 0.00 66.02 64.00 1kj2 s SER 51 CO 0.20 0.16 1.33 -2.65 0.98 0.00 0.00 173.24 173.26 1kj2 n PRO 52 N 0.51 2.10 0.00 4.02 -0.02 -1.26 -2.59 135.00 137.75 1kj2 n PRO 52 Ca -0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1kj2 n PRO 52 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1kj2 n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kj2 n GLY 53 N 1.27 3.02 3.71 -1.23 0.00 0.08 -5.02 105.19 107.03 1kj2 n GLY 53 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1kj2 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kj2 s ASP 54 N -1.16 6.84 0.02 1.61 -0.00 -1.07 -4.88 116.67 118.03 1kj2 s ASP 54 Ca 0.00 2.29 0.04 0.00 -0.00 0.00 0.00 52.55 54.88 1kj2 s ASP 54 Cb 0.00 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.32 1kj2 s ASP 54 CO 0.00 -0.65 -0.12 -1.59 -0.00 0.00 0.00 175.17 172.81 1kj2 s LYS 55 N 1.23 0.89 -0.03 8.23 -2.85 -1.26 -1.21 119.74 124.73 1kj2 s LYS 55 Ca 0.64 -0.58 -0.04 0.00 -1.00 0.00 0.00 55.97 54.99 1kj2 s LYS 55 Cb -0.36 -0.86 0.01 0.00 -2.06 0.00 0.00 37.83 34.56 1kj2 s LYS 55 CO 0.30 0.22 0.10 -1.21 0.10 0.00 0.00 175.35 174.86 1kj2 s GLU 56 N -0.75 0.19 0.30 1.78 2.02 0.26 -5.01 118.70 117.49 1kj2 s GLU 56 Ca 0.02 0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.12 1kj2 s GLU 56 Cb -0.06 0.08 -0.05 0.00 0.10 0.00 0.00 34.13 34.20 1kj2 s GLU 56 CO 0.00 -0.03 -0.02 0.14 0.02 0.00 0.00 175.26 175.37 1kj2 s VAL 57 N -0.26 2.97 -0.30 2.63 -7.23 -1.26 -1.24 120.40 115.71 1kj2 s VAL 57 Ca -0.03 -2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 57.95 1kj2 s VAL 57 Cb -0.02 -2.74 0.19 0.00 0.56 0.00 0.00 36.38 34.37 1kj2 s VAL 57 CO 0.00 -0.31 1.24 -0.75 -0.31 0.00 0.00 175.10 174.97 1kj2 s LYS 58 N -3.67 0.07 -0.13 4.82 2.20 -1.12 -4.99 119.74 116.93 1kj2 s LYS 58 Ca 0.33 0.18 -0.07 0.00 -0.36 0.00 0.00 55.97 56.05 1kj2 s LYS 58 Cb -0.04 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1kj2 s LYS 58 CO 0.19 -0.03 0.13 -1.12 -0.36 0.00 0.00 175.35 174.16 1kj2 s SER 59 N 2.20 6.30 0.27 1.43 0.01 -1.26 -1.98 113.70 120.67 1kj2 s SER 59 Ca -0.01 0.42 0.02 0.00 1.31 0.00 0.00 55.95 57.69 1kj2 s SER 59 Cb -0.02 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1kj2 s SER 59 CO -0.16 0.38 0.13 -0.76 0.41 0.00 0.00 173.24 173.24 1kj2 s LEU 60 N -0.84 1.61 -0.09 2.44 1.02 -0.78 -5.03 118.68 117.01 1kj2 s LEU 60 Ca 0.14 -1.46 -0.30 0.00 0.02 0.00 0.00 54.13 52.53 1kj2 s LEU 60 Cb -0.12 0.12 -0.04 0.00 0.02 0.00 0.00 46.19 46.17 1kj2 s LEU 60 CO 0.03 -0.81 1.56 -2.84 0.02 0.00 0.00 176.35 174.31 1kj2 s PRO 61 N -3.95 4.17 0.00 1.29 0.02 -1.26 -2.84 135.00 132.43 1kj2 s PRO 61 Ca 0.37 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1kj2 s PRO 61 Cb 0.06 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 30.65 1kj2 s PRO 61 CO 0.15 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 1kj2 n GLY 62 N 4.04 0.30 0.00 0.52 0.00 -1.26 -4.96 105.19 103.83 1kj2 n GLY 62 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1kj2 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kj2 n ALA 63 N -1.88 0.00 -2.62 4.61 0.00 -1.13 -1.36 120.51 118.12 1kj2 n ALA 63 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1kj2 n ALA 63 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1kj2 n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kj2 s ASP 64 N 0.00 4.85 0.18 0.00 1.01 -0.85 -1.87 116.67 119.99 1kj2 s ASP 64 Ca 0.00 0.03 0.10 0.00 0.71 0.00 0.00 52.55 53.39 1kj2 s ASP 64 Cb 0.00 -1.28 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 1kj2 s ASP 64 CO 0.00 0.36 -0.20 -0.31 0.21 0.00 0.00 175.17 175.23 1kj2 s TYR 65 N -0.81 1.99 -0.42 4.23 1.51 -0.84 -1.42 117.35 121.60 1kj2 s TYR 65 Ca 0.12 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1kj2 s TYR 65 Cb -0.11 -0.98 0.17 0.00 -0.11 0.00 0.00 41.96 40.93 1kj2 s TYR 65 CO 0.02 0.41 0.40 -1.17 -1.11 0.00 0.00 175.55 174.10 1kj2 s LEU 66 N -2.73 0.65 0.29 -1.29 2.96 -1.02 -2.78 118.68 114.76 1kj2 s LEU 66 Ca 0.18 -2.54 -0.28 0.00 -0.22 0.00 0.00 54.13 51.27 1kj2 s LEU 66 Cb -0.06 0.12 -0.09 0.00 0.50 0.00 0.00 46.19 46.66 1kj2 s LEU 66 CO 0.08 -0.17 0.99 0.00 -1.32 0.00 0.00 176.35 175.92 1kj2 s ALA 67 N 0.49 3.29 -0.07 5.97 0.00 -0.38 -2.62 121.76 128.44 1kj2 s ALA 67 Ca 0.29 0.66 -0.07 0.00 0.00 0.00 0.00 51.96 52.84 1kj2 s ALA 67 Cb -0.02 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1kj2 s ALA 67 CO -0.13 0.08 0.20 0.99 0.00 0.00 0.00 175.76 176.90 1kj2 s THR 68 N -1.34 -0.00 -0.34 0.00 2.01 0.28 -0.57 115.64 115.67 1kj2 s THR 68 Ca 0.46 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 1kj2 s THR 68 Cb -0.25 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 1kj2 s THR 68 CO 0.31 0.00 0.22 -0.60 -0.69 0.00 0.00 174.62 173.86 1kj2 s ARG 69 N 0.11 3.32 -0.16 4.92 6.06 -0.35 0.39 118.95 133.25 1kj2 s ARG 69 Ca -0.00 -0.75 -0.16 0.00 -2.50 0.00 0.00 55.73 52.32 1kj2 s ARG 69 Cb -0.01 -3.75 -0.23 0.00 0.06 0.00 0.00 34.95 31.02 1kj2 s ARG 69 CO 0.00 -0.50 0.33 0.28 -2.50 0.00 0.00 175.30 172.92 1kj2 h VAL 70 N 5.60 0.85 -4.71 7.11 2.07 -1.48 0.25 116.25 125.94 1kj2 h VAL 70 Ca -0.30 -2.27 -0.42 0.00 0.82 0.00 0.00 66.70 64.52 1kj2 h VAL 70 Cb 1.14 2.41 -0.12 0.00 -1.52 0.00 0.00 31.29 33.21 1kj2 h VAL 70 CO 0.64 0.58 -0.42 0.42 0.02 0.00 0.00 177.57 178.81 1kj2 s THR 71 N -2.44 0.00 0.24 2.57 -4.23 -1.15 -4.52 115.64 106.11 1kj2 s THR 71 Ca -0.25 -1.90 0.34 0.00 -1.18 0.00 0.00 61.69 58.70 1kj2 s THR 71 Cb 0.06 -2.54 0.34 0.00 1.34 0.00 0.00 72.50 71.70 1kj2 s THR 71 CO 0.68 0.00 2.04 0.44 -0.54 0.00 0.00 174.62 177.24 1kj2 h ASP 72 N 2.13 0.00 0.00 3.99 3.45 -1.96 -2.93 116.42 121.11 1kj2 h ASP 72 Ca -0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.20 1kj2 h ASP 72 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1kj2 h ASP 72 CO 0.37 0.00 0.00 0.35 -1.57 0.00 0.00 179.24 178.39 1kj2 n THR 73 N -2.69 0.00 -4.05 0.35 -2.24 -1.26 -4.87 114.28 99.52 1kj2 n THR 73 Ca -0.02 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 60.95 1kj2 n THR 73 Cb 0.06 1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 69.14 1kj2 n THR 73 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1kj2 s GLU 74 N -0.92 2.98 -0.20 -0.78 2.12 -1.11 0.63 118.70 121.41 1kj2 s GLU 74 Ca 0.00 -0.86 -0.03 0.00 0.36 0.00 0.00 54.97 54.44 1kj2 s GLU 74 Cb 0.00 -2.74 -0.01 0.00 0.26 0.00 0.00 34.13 31.64 1kj2 s GLU 74 CO 0.00 -0.27 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.23 1kj2 s LEU 75 N 1.31 2.89 0.24 2.70 2.96 -0.08 -1.21 118.68 127.50 1kj2 s LEU 75 Ca 0.03 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.65 1kj2 s LEU 75 Cb -0.14 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1kj2 s LEU 75 CO -0.09 0.02 0.15 -0.13 -1.32 0.00 0.00 176.35 174.98 1kj2 s ARG 76 N 1.25 2.82 -0.22 1.98 0.52 0.16 -1.11 118.95 124.36 1kj2 s ARG 76 Ca 0.03 -1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 54.09 1kj2 s ARG 76 Cb -0.14 -2.51 0.10 0.00 0.52 0.00 0.00 34.95 32.92 1kj2 s ARG 76 CO -0.02 0.41 0.44 -1.17 0.02 0.00 0.00 175.30 174.98 1kj2 s LEU 77 N -3.69 -0.72 -0.25 2.53 2.96 -1.05 -0.56 118.68 117.90 1kj2 s LEU 77 Ca 0.32 0.99 -0.00 0.00 -0.22 0.00 0.00 54.13 55.22 1kj2 s LEU 77 Cb -0.08 1.45 0.04 0.00 0.50 0.00 0.00 46.19 48.10 1kj2 s LEU 77 CO 0.24 -0.24 -0.07 0.00 -1.32 0.00 0.00 176.35 174.96 1kj2 s GLN 78 N 2.65 2.66 -0.34 1.98 -2.07 -1.08 0.07 119.66 123.53 1kj2 s GLN 78 Ca -0.01 -1.09 -0.17 0.00 -1.82 0.00 0.00 55.36 52.28 1kj2 s GLN 78 Cb -0.12 -2.96 -0.01 0.00 -1.09 0.00 0.00 33.01 28.83 1kj2 s GLN 78 CO -0.14 -0.45 0.44 0.54 -1.32 0.00 0.00 175.29 174.35 1kj2 s VAL 79 N 1.26 5.10 0.36 3.63 0.11 0.79 -2.42 120.40 129.22 1kj2 s VAL 79 Ca -0.02 0.23 0.07 0.00 -2.93 0.00 0.00 61.98 59.33 1kj2 s VAL 79 Cb -0.17 -3.88 -0.02 0.00 -1.53 0.00 0.00 36.38 30.77 1kj2 s VAL 79 CO -0.05 -0.13 0.34 0.00 -3.33 0.00 0.00 175.10 171.93 1kj2 s ALA 80 N 2.20 3.97 -0.87 1.54 0.00 -0.51 -1.69 121.76 126.40 1kj2 s ALA 80 Ca 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1kj2 s ALA 80 Cb -0.16 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1kj2 s ALA 80 CO 0.12 -0.07 0.00 0.09 0.00 0.00 0.00 175.76 175.90 1kj2 n ASN 81 N -1.46 -2.95 -4.58 0.00 3.02 -1.26 -2.00 115.26 106.02 1kj2 n ASN 81 Ca 0.00 0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 54.38 1kj2 n ASN 81 Cb 0.60 -2.66 -0.04 0.00 -0.61 0.00 0.00 39.78 37.08 1kj2 n ASN 81 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1kj2 n MET 82 N -2.34 1.74 0.00 3.52 1.56 -1.26 -4.39 117.12 115.95 1kj2 n MET 82 Ca -0.11 0.44 0.08 0.00 -0.27 0.00 0.00 57.70 57.84 1kj2 n MET 82 Cb 0.49 -3.17 0.02 0.00 2.15 0.00 0.00 33.22 32.70 1kj2 n MET 82 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1kj2 n SER 83 N 12.06 1.82 -4.01 6.12 3.41 -0.47 -4.80 113.62 127.77 1kj2 n SER 83 Ca 0.32 -1.41 -0.08 0.00 -0.26 0.00 0.00 58.87 57.44 1kj2 n SER 83 Cb 0.43 0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 64.61 1kj2 n SER 83 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1kj2 s GLN 84 N -1.71 0.49 0.38 4.33 2.00 -1.15 -5.00 119.66 119.01 1kj2 s GLN 84 Ca 0.15 -0.87 -0.25 0.00 -2.00 0.00 0.00 55.36 52.39 1kj2 s GLN 84 Cb 0.13 0.18 -0.09 0.00 0.80 0.00 0.00 33.01 34.03 1kj2 s GLN 84 CO 0.34 -0.10 1.05 0.20 -0.50 0.00 0.00 175.29 176.28 1kj2 s GLY 85 N -2.18 2.78 -0.28 2.59 0.00 -1.26 -4.86 107.32 104.10 1kj2 s GLY 85 Ca -0.05 0.72 -0.18 0.00 0.00 0.00 0.00 44.72 45.21 1kj2 s GLY 85 CO -0.05 1.17 0.77 1.09 0.00 0.00 0.00 173.10 176.08 1kj2 s ARG 86 N -2.36 0.65 -0.12 2.90 1.70 -0.96 -3.80 118.95 116.96 1kj2 s ARG 86 Ca 0.56 1.04 -0.10 0.00 -0.47 0.00 0.00 55.73 56.76 1kj2 s ARG 86 Cb -0.23 0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.28 1kj2 s ARG 86 CO 0.29 -0.12 0.22 -0.08 -1.08 0.00 0.00 175.30 174.53 1kj2 s THR 87 N 1.28 5.36 -0.01 4.99 -1.32 -0.91 -2.19 115.64 122.84 1kj2 s THR 87 Ca -0.07 0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.83 1kj2 s THR 87 Cb -0.05 -3.52 -0.03 0.00 -1.51 0.00 0.00 72.50 67.39 1kj2 s THR 87 CO -0.15 0.54 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.99 1kj2 s LEU 90 N -0.54 3.26 -0.05 9.08 1.02 0.24 -0.48 118.68 131.22 1kj2 s LEU 90 Ca 0.16 -0.09 0.06 0.00 0.02 0.00 0.00 54.13 54.29 1kj2 s LEU 90 Cb -0.13 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 1kj2 s LEU 90 CO 0.05 0.30 -0.25 -0.31 0.02 0.00 0.00 176.35 176.16 1kj2 s TYR 91 N -0.98 2.42 -0.16 0.29 4.12 0.26 -1.28 117.35 122.02 1kj2 s TYR 91 Ca 0.17 -0.60 -0.01 0.00 0.02 0.00 0.00 57.07 56.64 1kj2 s TYR 91 Cb -0.11 -1.57 -0.01 0.00 -1.52 0.00 0.00 41.96 38.74 1kj2 s TYR 91 CO 0.07 -0.14 -0.10 0.00 0.02 0.00 0.00 175.55 175.40 1kj2 s THR 93 N 0.72 1.59 0.12 0.00 -4.23 -0.54 -4.49 115.64 108.83 1kj2 s THR 93 Ca -0.05 -1.66 0.07 0.00 -1.18 0.00 0.00 61.69 58.86 1kj2 s THR 93 Cb -0.15 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 1kj2 s THR 93 CO 0.02 -0.23 -0.16 0.00 -0.54 0.00 0.00 174.62 173.71 1kj2 s SER 95 N -2.34 -0.18 -0.00 0.00 1.04 0.77 -4.22 113.70 108.77 1kj2 s SER 95 Ca 0.09 -0.35 -0.24 0.00 0.48 0.00 0.00 55.95 55.93 1kj2 s SER 95 Cb -0.06 0.45 -0.17 0.00 0.10 0.00 0.00 66.02 66.34 1kj2 s SER 95 CO 0.04 -0.82 1.20 0.00 0.98 0.00 0.00 173.24 174.65 1kj2 h ALA 96 N 2.49 -0.32 -2.99 5.32 0.00 -1.02 -1.64 119.26 121.09 1kj2 h ALA 96 Ca -0.34 -0.19 -0.41 0.00 0.00 0.00 0.00 54.91 53.98 1kj2 h ALA 96 Cb 1.24 0.12 -0.19 0.00 0.00 0.00 0.00 17.79 18.97 1kj2 h ALA 96 CO 0.48 -0.49 -0.76 0.00 0.00 0.00 0.00 179.25 178.48 1kj2 s ALA 97 N -4.64 1.39 0.25 0.00 0.00 -1.26 -4.46 121.76 113.04 1kj2 s ALA 97 Ca -0.14 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.66 1kj2 s ALA 97 Cb 0.02 -0.07 0.73 0.00 0.00 0.00 0.00 23.12 23.80 1kj2 s ALA 97 CO 0.55 0.10 1.17 -2.30 0.00 0.00 0.00 175.76 175.29 1kj2 n PRO 98 N 0.69 -0.05 -1.68 0.00 -0.02 -1.26 -0.85 135.00 131.83 1kj2 n PRO 98 Ca -0.17 1.08 -0.30 0.00 -2.02 0.00 0.00 63.50 62.10 1kj2 n PRO 98 Cb 0.56 -1.80 0.05 0.00 -0.02 0.00 0.00 33.50 32.29 1kj2 n PRO 98 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1kj2 n ASP 99 N -4.90 6.35 -3.66 2.55 5.75 -1.26 -5.00 116.55 116.38 1kj2 n ASP 99 Ca 0.21 -3.77 -0.10 0.00 -0.01 0.00 0.00 54.79 51.12 1kj2 n ASP 99 Cb 0.72 -0.67 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 1kj2 n ASP 99 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1kj2 s TRP 100 N -3.72 -0.20 0.00 2.11 -0.11 -0.03 -5.05 118.94 111.94 1kj2 s TRP 100 Ca 0.58 -0.12 0.00 0.00 1.22 0.00 0.00 56.10 57.78 1kj2 s TRP 100 Cb 0.46 0.36 0.00 0.00 -1.50 0.00 0.00 33.47 32.79 1kj2 s TRP 100 CO 0.01 -0.83 0.00 0.41 -4.62 0.00 0.00 176.95 171.92 1kj2 n GLY 101 N -0.30 -1.56 0.00 5.86 0.00 -0.48 -4.28 105.19 104.43 1kj2 n GLY 101 Ca -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1kj2 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kj2 n ALA 102 N -3.00 0.00 -0.98 4.61 0.00 -1.26 -0.60 120.51 119.28 1kj2 n ALA 102 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1kj2 n ALA 102 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.79 1kj2 n ALA 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kj2 n SER 103 N -1.42 4.95 -3.93 0.00 2.88 -1.26 -4.19 113.62 110.65 1kj2 n SER 103 Ca 0.00 -3.05 -0.08 0.00 -1.33 0.00 0.00 58.87 54.40 1kj2 n SER 103 Cb 0.00 -0.66 -0.04 0.00 -0.75 0.00 0.00 64.21 62.76 1kj2 n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kj2 s ALA 104 N -2.86 -0.57 0.29 -1.46 0.00 -1.26 -5.07 121.76 110.83 1kj2 s ALA 104 Ca 0.51 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 1kj2 s ALA 104 Cb 0.40 0.99 0.43 0.00 0.00 0.00 0.00 23.12 24.94 1kj2 s ALA 104 CO 0.13 -0.92 1.86 1.49 0.00 0.00 0.00 175.76 178.32 1kj2 h GLU 105 N 2.16 0.87 -6.20 0.00 4.81 -1.92 -1.26 114.58 113.04 1kj2 h GLU 105 Ca -0.24 -0.14 -0.59 0.00 -0.13 0.00 0.00 59.36 58.26 1kj2 h GLU 105 Cb 1.25 -0.15 -0.12 0.00 0.63 0.00 0.00 28.75 30.36 1kj2 h GLU 105 CO 0.31 0.72 -0.71 -0.08 -0.73 0.00 0.00 179.01 178.52 1kj2 s THR 105 N -5.37 2.84 0.53 0.32 -1.32 -1.26 -1.54 115.64 109.84 1kj2 s THR 105 Ca -0.10 -2.21 -0.22 0.00 -1.21 0.00 0.00 61.69 57.95 1kj2 s THR 105 Cb 0.16 -2.52 -0.05 0.00 -1.51 0.00 0.00 72.50 68.58 1kj2 s THR 105 CO 0.80 -0.38 1.31 -0.22 -2.21 0.00 0.00 174.62 173.92 1kj2 s LEU 106 N -3.58 3.87 -0.10 9.08 2.96 -1.26 -4.30 118.68 125.35 1kj2 s LEU 106 Ca 0.31 2.66 0.03 0.00 -0.22 0.00 0.00 54.13 56.91 1kj2 s LEU 106 Cb -0.05 -4.29 0.01 0.00 0.50 0.00 0.00 46.19 42.36 1kj2 s LEU 106 CO 0.17 -1.45 -0.20 -0.47 -1.32 0.00 0.00 176.35 173.07 1kj2 s TYR 107 N -1.36 2.31 -0.12 5.38 5.04 -1.26 -5.06 117.35 122.28 1kj2 s TYR 107 Ca 0.70 -1.01 -0.05 0.00 -2.44 0.00 0.00 57.07 54.28 1kj2 s TYR 107 Cb -0.38 -1.58 -0.04 0.00 0.35 0.00 0.00 41.96 40.32 1kj2 s TYR 107 CO 0.45 -0.45 0.06 -0.06 -1.34 0.00 0.00 175.55 174.21 1kj2 s PHE 108 N 0.61 3.34 0.00 4.97 0.08 -1.26 -4.63 117.98 121.08 1kj2 s PHE 108 Ca -0.14 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.21 1kj2 s PHE 108 Cb -0.17 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1kj2 s PHE 108 CO 0.04 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 176.08 1kj2 n GLY 109 N 2.33 1.00 0.13 4.36 0.00 -1.26 -4.92 105.19 106.84 1kj2 n GLY 109 Ca -0.19 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.41 1kj2 n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kj2 h SER 110 N 0.00 0.00 -3.52 1.61 4.64 -1.97 -3.50 113.55 110.81 1kj2 h SER 110 Ca 0.00 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.59 1kj2 h SER 110 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1kj2 h SER 110 CO 0.00 0.12 -0.35 0.61 -0.87 0.00 0.00 176.83 176.34 1kj2 n GLY 111 N 1.20 -1.69 3.32 -0.77 0.00 -1.26 -4.79 105.19 101.20 1kj2 n GLY 111 Ca -0.01 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1kj2 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kj2 s THR 112 N -1.82 3.59 -0.29 2.61 2.01 -0.40 -4.79 115.64 116.55 1kj2 s THR 112 Ca 0.00 -0.58 -0.19 0.00 0.31 0.00 0.00 61.69 61.24 1kj2 s THR 112 Cb 0.00 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1kj2 s THR 112 CO 0.00 0.29 0.56 -0.60 -0.69 0.00 0.00 174.62 174.17 1kj2 s ARG 113 N 1.48 3.95 -0.38 4.92 3.52 -1.01 -0.59 118.95 130.84 1kj2 s ARG 113 Ca 0.04 0.25 -0.06 0.00 -0.13 0.00 0.00 55.73 55.83 1kj2 s ARG 113 Cb -0.15 -3.70 0.07 0.00 -1.56 0.00 0.00 34.95 29.61 1kj2 s ARG 113 CO -0.01 -0.47 0.16 -0.51 -0.81 0.00 0.00 175.30 173.67 1kj2 s LEU 114 N 2.43 4.76 0.13 -0.88 1.43 -0.93 -1.46 118.68 124.16 1kj2 s LEU 114 Ca 0.22 -1.50 0.02 0.00 -1.03 0.00 0.00 54.13 51.84 1kj2 s LEU 114 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1kj2 s LEU 114 CO 0.11 -0.44 0.26 0.42 0.23 0.00 0.00 176.35 176.92 1kj2 s THR 115 N 1.32 5.27 0.19 5.49 -4.23 -0.91 -2.27 115.64 120.50 1kj2 s THR 115 Ca 0.02 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 59.74 1kj2 s THR 115 Cb -0.22 -3.68 -0.07 0.00 1.34 0.00 0.00 72.50 69.87 1kj2 s THR 115 CO 0.00 -0.04 0.58 0.54 -0.54 0.00 0.00 174.62 175.16 1kj2 s VAL 116 N -1.69 4.84 0.00 2.29 0.11 -1.26 -2.41 120.40 122.28 1kj2 s VAL 116 Ca 0.34 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 1kj2 s VAL 116 Cb -0.11 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 1kj2 s VAL 116 CO 0.28 0.11 0.00 0.18 -3.33 0.00 0.00 175.10 172.34