#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j26 s SER 2 N 0.00 -0.01 0.23 1.61 1.04 -1.26 -5.19 113.70 110.12 1j26 s SER 2 Ca 0.00 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.18 1j26 s SER 2 Cb 0.00 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 1j26 s SER 2 CO 0.00 -0.47 -0.04 -0.94 0.98 0.00 0.00 173.24 172.77 1j26 s SER 3 N -3.55 2.18 0.00 7.02 1.04 -1.26 -5.15 113.70 113.99 1j26 s SER 3 Ca 0.25 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1j26 s SER 3 Cb -0.00 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1j26 s SER 3 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1j26 n GLY 4 N -0.44 0.66 2.27 7.32 0.00 -1.26 -4.88 105.19 108.86 1j26 n GLY 4 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1j26 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j26 n SER 5 N 0.00 -4.38 0.46 1.61 3.41 -1.26 -4.88 113.62 108.59 1j26 n SER 5 Ca 0.00 0.38 -0.18 0.00 -0.26 0.00 0.00 58.87 58.81 1j26 n SER 5 Cb 0.00 -3.94 -0.09 0.00 -0.26 0.00 0.00 64.21 59.92 1j26 n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1j26 h SER 6 N 0.00 -1.00 -3.96 4.04 0.87 -2.07 -3.50 113.55 107.93 1j26 h SER 6 Ca -0.34 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1j26 h SER 6 Cb 1.09 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1j26 h SER 6 CO 0.49 -0.65 0.00 0.61 -0.53 0.00 0.00 176.83 176.75 1j26 n GLY 7 N -1.23 0.99 2.12 5.77 0.00 -1.26 -5.08 105.19 106.50 1j26 n GLY 7 Ca -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1j26 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j26 n GLU 8 N -1.73 0.00 -0.98 1.61 1.02 -1.26 -5.18 120.64 114.11 1j26 n GLU 8 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1j26 n GLU 8 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1j26 n GLU 8 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1j26 n HIS 9 N -3.36 -2.58 -3.66 -0.32 -0.00 -1.26 -4.98 115.22 99.06 1j26 n HIS 9 Ca 0.00 1.37 -0.27 0.00 -0.00 0.00 0.00 57.72 58.82 1j26 n HIS 9 Cb 0.00 -2.35 -0.16 0.00 -0.00 0.00 0.00 29.99 27.48 1j26 n HIS 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j26 s ALA 10 N -3.12 0.75 0.37 1.57 0.00 -1.26 -5.14 121.76 114.93 1j26 s ALA 10 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.07 1j26 s ALA 10 Cb 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 23.12 21.84 1j26 s ALA 10 CO 0.00 -1.27 0.96 0.15 0.00 0.00 0.00 175.76 175.60 1j26 s LYS 11 N 1.99 4.40 0.00 0.00 1.02 -1.26 -4.95 119.74 120.94 1j26 s LYS 11 Ca 0.02 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.27 1j26 s LYS 11 Cb -0.17 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1j26 s LYS 11 CO -0.13 0.11 0.79 0.94 -0.92 0.00 0.00 175.35 176.14 1j26 n GLN 12 N 0.00 0.83 -4.95 1.68 -0.06 -1.26 -4.82 117.38 108.81 1j26 n GLN 12 Ca 0.04 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.77 1j26 n GLN 12 Cb 0.52 -1.11 -0.15 0.00 -4.06 0.00 0.00 30.24 25.43 1j26 n GLN 12 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j26 s ALA 13 N 0.08 1.76 -0.50 1.69 0.00 -1.26 -5.10 121.76 118.43 1j26 s ALA 13 Ca 0.00 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.73 1j26 s ALA 13 Cb 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1j26 s ALA 13 CO 0.00 0.42 1.41 -1.12 0.00 0.00 0.00 175.76 176.48 1j26 s SER 14 N -0.65 6.20 -0.46 0.00 0.01 -1.26 -4.92 113.70 112.63 1j26 s SER 14 Ca 0.08 0.49 0.05 0.00 1.31 0.00 0.00 55.95 57.88 1j26 s SER 14 Cb -0.08 -2.54 0.18 0.00 0.21 0.00 0.00 66.02 63.79 1j26 s SER 14 CO -0.00 -1.60 0.40 -1.20 0.41 0.00 0.00 173.24 171.24 1j26 n SER 15 N 9.30 0.21 0.13 2.44 7.64 -1.26 -4.92 113.62 127.16 1j26 n SER 15 Ca 0.14 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1j26 n SER 15 Cb 0.49 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1j26 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j26 n TYR 16 N 2.46 -2.40 -2.08 1.43 4.11 -1.26 -5.14 117.16 114.27 1j26 n TYR 16 Ca 0.27 0.45 -0.03 0.00 -0.00 0.00 0.00 57.90 58.60 1j26 n TYR 16 Cb 0.47 0.72 -0.02 0.00 -0.00 0.00 0.00 39.34 40.50 1j26 n TYR 16 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 1j26 n ILE 17 N -3.37 -8.82 -2.46 -3.48 2.08 -1.26 -4.92 119.36 97.12 1j26 n ILE 17 Ca 0.00 1.68 -0.42 0.00 0.56 0.00 0.00 62.75 64.57 1j26 n ILE 17 Cb 0.00 -5.23 -0.03 0.00 -0.75 0.00 0.00 39.64 33.64 1j26 n ILE 17 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1j26 s PRO 18 N -0.87 3.39 0.41 0.38 0.04 -1.26 -4.88 135.00 132.21 1j26 s PRO 18 Ca -0.15 0.38 0.08 0.00 0.04 0.00 0.00 61.00 61.35 1j26 s PRO 18 Cb 0.01 -4.08 0.87 0.00 0.04 0.00 0.00 34.50 31.34 1j26 s PRO 18 CO 0.40 -1.84 2.05 -0.07 0.04 0.00 0.00 177.00 177.58 1j26 h LEU 19 N 12.63 0.42 -1.42 -3.56 3.38 -1.95 -2.31 115.31 122.50 1j26 h LEU 19 Ca -0.26 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1j26 h LEU 19 Cb 1.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1j26 h LEU 19 CO 1.18 0.33 -0.27 -0.78 0.09 0.00 0.00 178.44 178.99 1j26 h ASP 20 N 0.49 0.00 1.31 -0.43 3.58 -2.04 -1.83 116.42 117.52 1j26 h ASP 20 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1j26 h ASP 20 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1j26 h ASP 20 CO -0.02 0.27 -0.22 0.03 -2.88 0.00 0.00 179.24 176.42 1j26 h ARG 21 N 0.00 0.00 0.00 0.28 2.47 -1.83 -3.45 114.38 111.85 1j26 h ARG 21 Ca -0.00 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.52 1j26 h ARG 21 Cb 0.59 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 28.99 1j26 h ARG 21 CO 0.04 0.00 0.20 1.28 0.56 0.00 0.00 179.97 182.04 1j26 n LEU 22 N -2.29 0.00 -3.56 3.04 4.77 -0.69 -4.76 117.00 113.51 1j26 n LEU 22 Ca 0.05 -0.68 -0.28 0.00 -0.03 0.00 0.00 56.01 55.06 1j26 n LEU 22 Cb 0.44 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1j26 n LEU 22 CO 0.33 -0.94 -0.26 -0.44 -1.33 0.00 0.00 177.39 174.74 1j26 s SER 23 N -3.27 2.81 0.43 -1.43 0.01 0.10 -4.96 113.70 107.39 1j26 s SER 23 Ca 0.35 -2.86 -0.22 0.00 1.31 0.00 0.00 55.95 54.53 1j26 s SER 23 Cb -0.01 -0.74 -0.10 0.00 0.21 0.00 0.00 66.02 65.38 1j26 s SER 23 CO 0.25 -0.21 1.00 -0.63 0.41 0.00 0.00 173.24 174.05 1j26 s ILE 24 N 0.15 4.04 -0.21 1.44 1.09 -1.26 -0.94 121.20 125.51 1j26 s ILE 24 Ca 0.25 1.38 -0.10 0.00 -1.10 0.00 0.00 60.65 61.07 1j26 s ILE 24 Cb -0.11 -3.62 0.08 0.00 -1.06 0.00 0.00 42.46 37.75 1j26 s ILE 24 CO -0.10 -0.17 0.49 -0.55 -0.10 0.00 0.00 174.94 174.51 1j26 s SER 25 N -1.92 -0.58 0.00 3.58 0.15 -0.05 -4.97 113.70 109.93 1j26 s SER 25 Ca 0.61 1.10 -0.09 0.00 0.70 0.00 0.00 55.95 58.27 1j26 s SER 25 Cb -0.15 1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 65.29 1j26 s SER 25 CO 0.19 -0.22 0.31 -0.31 1.20 0.00 0.00 173.24 174.42 1j26 s TYR 26 N 1.93 3.62 0.16 3.44 2.02 -1.26 -0.27 117.35 126.97 1j26 s TYR 26 Ca -0.07 0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 57.33 1j26 s TYR 26 Cb -0.09 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 1j26 s TYR 26 CO -0.15 0.62 0.22 0.00 -1.57 0.00 0.00 175.55 174.67 1j26 s ARG 28 N -2.34 2.68 0.26 0.00 3.00 -1.26 -0.82 118.95 120.47 1j26 s ARG 28 Ca 0.13 1.09 0.07 0.00 -1.00 0.00 0.00 55.73 56.02 1j26 s ARG 28 Cb -0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 34.95 32.94 1j26 s ARG 28 CO 0.09 -1.31 -0.08 -1.54 0.00 0.00 0.00 175.30 172.46 1j26 s SER 29 N -3.47 2.75 0.37 -2.12 1.04 -1.23 -4.55 113.70 106.49 1j26 s SER 29 Ca 0.60 -1.15 -0.28 0.00 0.48 0.00 0.00 55.95 55.61 1j26 s SER 29 Cb -0.16 -0.16 -0.11 0.00 0.10 0.00 0.00 66.02 65.68 1j26 s SER 29 CO 0.53 -0.29 1.45 -0.24 0.98 0.00 0.00 173.24 175.67 1j26 n SER 30 N -0.54 3.60 0.00 7.02 2.88 -1.26 -4.79 113.62 120.53 1j26 n SER 30 Ca -0.06 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1j26 n SER 30 Cb 0.63 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1j26 n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j26 n GLY 31 N 0.51 -1.92 3.55 0.46 0.00 -1.26 -5.00 105.19 101.53 1j26 n GLY 31 Ca 0.02 0.90 -0.38 0.00 0.00 0.00 0.00 46.02 46.56 1j26 n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j26 s PRO 32 N 0.00 2.71 0.00 1.61 0.04 -1.26 -4.31 135.00 133.78 1j26 s PRO 32 Ca 0.00 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1j26 s PRO 32 Cb 0.00 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1j26 s PRO 32 CO 0.00 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.75 1j26 n GLY 33 N 5.76 -0.47 0.00 0.56 0.00 -1.26 -5.05 105.19 104.73 1j26 n GLY 33 Ca 0.20 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1j26 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j26 n GLY 34 N 0.00 0.95 0.00 -0.02 0.00 -1.26 -5.18 105.19 99.68 1j26 n GLY 34 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1j26 n GLY 34 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j26 n GLN 35 N 0.00 0.55 -0.27 1.61 1.13 -1.26 -5.01 117.38 114.12 1j26 n GLN 35 Ca 0.00 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.14 1j26 n GLN 35 Cb 0.00 0.00 0.22 0.00 0.11 0.00 0.00 30.24 30.57 1j26 n GLN 35 CO 0.00 0.00 0.00 -2.95 -1.44 0.00 0.00 177.06 172.67 1j26 h ASN 36 N 0.00 0.24 -1.08 1.08 7.08 -2.04 -3.48 115.58 117.38 1j26 h ASN 36 Ca 0.00 0.13 0.00 0.00 -3.08 0.00 0.00 56.30 53.35 1j26 h ASN 36 Cb 0.00 0.12 0.00 0.00 -2.08 0.00 0.00 38.32 36.36 1j26 h ASN 36 CO 0.00 0.05 -0.02 0.52 -2.08 0.00 0.00 177.43 175.89 1j26 n VAL 37 N -5.05 -0.18 -0.31 6.14 0.31 -1.26 -4.64 118.33 113.35 1j26 n VAL 37 Ca 0.17 0.01 0.13 0.00 -0.01 0.00 0.00 64.34 64.64 1j26 n VAL 37 Cb 0.50 -0.39 0.28 0.00 -0.91 0.00 0.00 33.84 33.31 1j26 n VAL 37 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1j26 h ASN 38 N 2.30 -0.25 0.43 4.52 2.35 -1.97 0.31 115.58 123.28 1j26 h ASN 38 Ca 0.00 0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1j26 h ASN 38 Cb 0.02 0.37 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1j26 h ASN 38 CO 0.00 -0.25 -0.01 0.11 -1.65 0.00 0.00 177.43 175.63 1j26 h LYS 39 N 0.10 0.00 -6.92 0.81 1.57 -1.88 -3.46 116.57 106.79 1j26 h LYS 39 Ca 0.56 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.76 1j26 h LYS 39 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1j26 h LYS 39 CO -0.77 0.01 -1.04 1.55 -0.57 0.00 0.00 179.45 178.63 1j26 n VAL 40 N -3.14 -2.80 0.00 0.50 3.14 0.11 -4.05 118.33 112.09 1j26 n VAL 40 Ca -0.01 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 1j26 n VAL 40 Cb 0.18 -2.40 0.00 0.00 -1.06 0.00 0.00 33.84 30.56 1j26 n VAL 40 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1j26 n ASN 41 N -2.25 0.00 -4.02 6.55 3.02 -1.26 -4.84 115.26 112.46 1j26 n ASN 41 Ca -0.16 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.12 1j26 n ASN 41 Cb 0.59 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.68 1j26 n ASN 41 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1j26 n SER 42 N 6.02 0.57 -4.85 6.41 7.64 -1.17 -3.53 113.62 124.71 1j26 n SER 42 Ca 0.00 -1.07 -0.32 0.00 1.01 0.00 0.00 58.87 58.50 1j26 n SER 42 Cb 0.00 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 1j26 n SER 42 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1j26 s LYS 43 N -6.62 3.87 -0.16 1.43 2.20 0.00 -4.60 119.74 115.86 1j26 s LYS 43 Ca 0.07 0.92 0.02 0.00 -0.36 0.00 0.00 55.97 56.62 1j26 s LYS 43 Cb -0.04 -2.12 0.02 0.00 -1.51 0.00 0.00 37.83 34.17 1j26 s LYS 43 CO 0.84 -0.34 -0.20 0.00 -0.36 0.00 0.00 175.35 175.29 1j26 s ALA 44 N -2.73 2.27 0.04 3.13 0.00 -1.23 -2.20 121.76 121.03 1j26 s ALA 44 Ca 0.58 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1j26 s ALA 44 Cb -0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1j26 s ALA 44 CO 0.36 -0.23 0.01 -2.00 0.00 0.00 0.00 175.76 173.89 1j26 s GLU 45 N 1.12 2.70 -0.08 0.00 2.12 0.62 -2.14 118.70 123.05 1j26 s GLU 45 Ca 0.01 -0.71 -0.06 0.00 0.36 0.00 0.00 54.97 54.57 1j26 s GLU 45 Cb -0.14 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.65 1j26 s GLU 45 CO -0.09 0.59 0.20 0.54 -0.54 0.00 0.00 175.26 175.96 1j26 s VAL 46 N -1.19 -0.01 0.12 3.70 0.11 -0.59 -0.87 120.40 121.67 1j26 s VAL 46 Ca 0.23 0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.42 1j26 s VAL 46 Cb -0.12 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 1j26 s VAL 46 CO 0.14 0.02 -0.23 -0.60 -3.33 0.00 0.00 175.10 171.10 1j26 s ARG 47 N 0.38 1.57 -0.01 1.54 3.52 -0.11 -1.88 118.95 123.96 1j26 s ARG 47 Ca -0.02 -1.27 -0.14 0.00 -0.13 0.00 0.00 55.73 54.17 1j26 s ARG 47 Cb -0.04 -1.99 0.02 0.00 -1.56 0.00 0.00 34.95 31.38 1j26 s ARG 47 CO -0.02 0.47 0.30 -0.59 -0.81 0.00 0.00 175.30 174.64 1j26 s PHE 48 N -1.09 -0.16 -0.50 5.12 -0.71 -0.40 0.00 117.98 120.25 1j26 s PHE 48 Ca 0.16 0.23 -0.28 0.00 -1.04 0.00 0.00 56.93 55.99 1j26 s PHE 48 Cb -0.10 0.08 0.01 0.00 -1.21 0.00 0.00 43.02 41.80 1j26 s PHE 48 CO 0.08 -0.38 1.45 -1.58 -1.34 0.00 0.00 175.22 173.44 1j26 s HIS 49 N -1.34 2.29 0.19 3.49 5.65 -1.26 -0.84 115.29 123.46 1j26 s HIS 49 Ca -0.14 0.57 -0.12 0.00 0.25 0.00 0.00 55.06 55.63 1j26 s HIS 49 Cb -0.05 -4.34 0.15 0.00 -1.18 0.00 0.00 32.58 27.16 1j26 s HIS 49 CO 0.04 -2.02 1.82 1.25 -0.65 0.00 0.00 174.74 175.17 1j26 h LEU 50 N 12.91 0.54 -1.03 8.88 7.12 -1.92 -0.66 115.31 141.14 1j26 h LEU 50 Ca -0.27 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 57.73 1j26 h LEU 50 Cb 1.10 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.10 1j26 h LEU 50 CO 1.14 0.37 0.36 0.00 -0.13 0.00 0.00 178.44 180.18 1j26 h ALA 51 N 1.28 1.25 -0.06 1.25 0.00 -1.90 -0.19 119.26 120.88 1j26 h ALA 51 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1j26 h ALA 51 Cb 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1j26 h ALA 51 CO -0.12 0.58 0.00 0.45 0.00 0.00 0.00 179.25 180.16 1j26 n SER 52 N -4.33 0.91 -3.58 0.00 2.88 -1.01 -4.47 113.62 104.01 1j26 n SER 52 Ca 0.07 -1.48 -0.40 0.00 -1.33 0.00 0.00 58.87 55.73 1j26 n SER 52 Cb 0.13 -0.04 -0.01 0.00 -0.75 0.00 0.00 64.21 63.54 1j26 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j26 n ALA 53 N -0.22 5.75 1.04 -1.46 0.00 -0.08 -4.68 120.51 120.86 1j26 n ALA 53 Ca 0.17 -3.62 0.09 0.00 0.00 0.00 0.00 53.44 50.08 1j26 n ALA 53 Cb 0.23 -3.48 0.51 0.00 0.00 0.00 0.00 19.45 16.70 1j26 n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j26 n ASP 54 N 5.53 0.00 -0.24 0.00 2.03 -1.26 -0.60 116.55 122.00 1j26 n ASP 54 Ca 0.58 -0.40 0.14 0.00 0.52 0.00 0.00 54.79 55.63 1j26 n ASP 54 Cb 0.34 -0.08 0.50 0.00 -0.72 0.00 0.00 41.12 41.16 1j26 n ASP 54 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1j26 n TRP 55 N -1.08 0.00 -3.91 -0.67 4.27 -1.26 -4.83 117.44 109.96 1j26 n TRP 55 Ca 0.12 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.39 1j26 n TRP 55 Cb 0.08 -0.11 -0.05 0.00 -1.36 0.00 0.00 31.31 29.87 1j26 n TRP 55 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1j26 s ILE 56 N -2.38 5.43 0.44 -1.67 1.01 0.23 -5.03 121.20 119.23 1j26 s ILE 56 Ca 0.29 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.61 1j26 s ILE 56 Cb 0.20 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 1j26 s ILE 56 CO 0.46 0.39 1.20 -0.62 0.00 0.00 0.00 174.94 176.38 1j26 n GLU 57 N 1.17 1.72 -0.18 2.79 1.02 -1.26 -4.78 120.64 121.14 1j26 n GLU 57 Ca -0.13 0.62 -0.01 0.00 -0.02 0.00 0.00 57.16 57.62 1j26 n GLU 57 Cb 0.53 -2.30 0.08 0.00 -0.02 0.00 0.00 31.44 29.73 1j26 n GLU 57 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1j26 h GLU 58 N 1.83 0.17 0.00 3.49 4.57 -1.96 0.88 114.58 123.56 1j26 h GLU 58 Ca -0.47 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.65 1j26 h GLU 58 Cb 1.31 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1j26 h GLU 58 CO 0.59 0.11 -0.23 -1.00 -1.18 0.00 0.00 179.01 177.30 1j26 h PRO 59 N 0.17 0.00 0.15 0.92 0.13 -1.94 -3.01 132.00 128.42 1j26 h PRO 59 Ca 0.28 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.15 1j26 h PRO 59 Cb 0.43 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.58 1j26 h PRO 59 CO -0.42 0.23 -1.10 0.28 -0.23 0.00 0.00 178.00 176.76 1j26 h VAL 60 N 0.00 1.37 0.00 1.56 2.07 -1.65 -2.95 116.25 116.66 1j26 h VAL 60 Ca -0.00 -2.50 0.03 0.00 0.82 0.00 0.00 66.70 65.05 1j26 h VAL 60 Cb 0.97 2.93 -0.05 0.00 -1.52 0.00 0.00 31.29 33.62 1j26 h VAL 60 CO 0.03 0.74 -0.41 0.03 0.02 0.00 0.00 177.57 177.97 1j26 h ARG 61 N -0.00 -0.55 0.00 1.57 3.08 -0.71 -1.39 114.38 116.38 1j26 h ARG 61 Ca -0.18 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1j26 h ARG 61 Cb 1.83 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 32.00 1j26 h ARG 61 CO 0.21 -0.37 -0.04 -0.56 -1.07 0.00 0.00 179.97 178.15 1j26 h GLN 62 N -0.57 0.00 0.18 0.04 3.07 -1.66 -1.35 115.11 114.82 1j26 h GLN 62 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 1j26 h GLN 62 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.21 1j26 h GLN 62 CO -0.31 0.04 -0.09 -0.22 0.09 0.00 0.00 178.83 178.34 1j26 h LYS 63 N 0.00 -0.23 -1.07 0.06 1.63 -1.09 -3.19 116.57 112.69 1j26 h LYS 63 Ca -0.00 0.02 0.32 0.00 -0.85 0.00 0.00 60.65 60.14 1j26 h LYS 63 Cb 0.49 0.05 -0.13 0.00 -0.60 0.00 0.00 32.23 32.04 1j26 h LYS 63 CO 0.00 -0.16 0.64 0.82 -3.45 0.00 0.00 179.45 177.31 1j26 h ILE 64 N -0.26 0.34 -0.97 2.00 5.03 -1.10 0.47 117.51 123.02 1j26 h ILE 64 Ca -0.02 -0.11 0.14 0.00 -0.12 0.00 0.00 64.86 64.74 1j26 h ILE 64 Cb 0.19 -0.02 -0.08 0.00 -3.03 0.00 0.00 36.82 33.88 1j26 h ILE 64 CO 0.04 0.06 0.61 0.00 -0.68 0.00 0.00 178.15 178.18 1j26 h ALA 65 N 1.75 1.64 0.00 1.87 0.00 -1.28 -2.42 119.26 120.82 1j26 h ALA 65 Ca 0.71 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.61 1j26 h ALA 65 Cb 1.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1j26 h ALA 65 CO -0.50 0.09 -1.09 1.28 0.00 0.00 0.00 179.25 179.04 1j26 n LEU 66 N -4.62 1.91 -0.20 0.00 4.77 0.52 -4.21 117.00 115.18 1j26 n LEU 66 Ca 0.19 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1j26 n LEU 66 Cb 0.42 -0.73 0.25 0.00 -2.33 0.00 0.00 43.42 41.02 1j26 n LEU 66 CO 0.27 -0.22 1.21 0.74 -1.33 0.00 0.00 177.39 178.06 1j26 h THR 67 N -0.97 1.19 -0.16 -5.08 2.02 -0.30 -2.56 112.91 107.07 1j26 h THR 67 Ca -0.05 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1j26 h THR 67 Cb 1.02 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1j26 h THR 67 CO -0.03 0.20 -0.21 1.41 0.37 0.00 0.00 175.52 177.25 1j26 n HIS 68 N -4.41 0.50 0.23 3.16 8.25 -0.91 -4.70 115.22 117.34 1j26 n HIS 68 Ca 0.07 -1.39 0.15 0.00 -0.26 0.00 0.00 57.72 56.30 1j26 n HIS 68 Cb 0.05 -0.33 0.81 0.00 1.12 0.00 0.00 29.99 31.65 1j26 n HIS 68 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1j26 h LYS 69 N 0.92 0.00 0.00 -0.41 3.64 -1.52 0.13 116.57 119.33 1j26 h LYS 69 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1j26 h LYS 69 Cb 1.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1j26 h LYS 69 CO 0.17 0.00 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.30 1j26 h ASN 70 N 0.00 0.00 1.09 4.20 -0.73 -1.84 -0.89 115.58 117.40 1j26 h ASN 70 Ca 0.06 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1j26 h ASN 70 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.89 1j26 h ASN 70 CO -0.00 0.08 0.00 0.29 -0.37 0.00 0.00 177.43 177.43 1j26 n LYS 71 N -4.22 0.11 -2.72 6.67 4.76 0.44 -4.87 118.16 118.33 1j26 n LYS 71 Ca -0.03 0.14 -0.39 0.00 -2.87 0.00 0.00 58.31 55.15 1j26 n LYS 71 Cb 0.16 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 31.66 1j26 n LYS 71 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1j26 s ILE 72 N -3.06 4.01 0.03 -0.18 1.01 -0.34 -0.38 121.20 122.29 1j26 s ILE 72 Ca 0.11 1.96 -0.27 0.00 0.00 0.00 0.00 60.65 62.45 1j26 s ILE 72 Cb 0.15 -4.22 -0.17 0.00 0.01 0.00 0.00 42.46 38.23 1j26 s ILE 72 CO 0.51 0.41 1.39 -0.55 0.00 0.00 0.00 174.94 176.70 1j26 h ASN 73 N 3.91 -0.46 0.00 3.58 7.08 -1.67 -3.47 115.58 124.55 1j26 h ASN 73 Ca -0.46 -0.09 0.00 0.00 -3.08 0.00 0.00 56.30 52.67 1j26 h ASN 73 Cb 1.20 0.12 0.00 0.00 -2.08 0.00 0.00 38.32 37.56 1j26 h ASN 73 CO 0.67 -0.17 0.00 1.17 -2.08 0.00 0.00 177.43 177.02 1j26 n LYS 74 N -5.24 0.00 0.17 4.14 3.00 -1.26 -5.01 118.16 113.96 1j26 n LYS 74 Ca -0.11 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.33 1j26 n LYS 74 Cb 0.28 0.00 0.60 0.00 0.00 0.00 0.00 35.03 35.91 1j26 n LYS 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j26 h ALA 75 N 0.00 1.00 0.00 3.14 0.00 -2.01 -3.44 119.26 117.94 1j26 h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j26 h ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j26 h ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1j26 n GLY 76 N -0.63 1.40 3.69 0.00 0.00 -1.26 -5.06 105.19 103.33 1j26 n GLY 76 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1j26 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j26 s GLU 77 N -0.93 4.22 -0.21 1.61 2.02 -1.26 -3.71 118.70 120.44 1j26 s GLU 77 Ca 0.00 2.24 -0.26 0.00 0.02 0.00 0.00 54.97 56.98 1j26 s GLU 77 Cb 0.00 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.63 1j26 s GLU 77 CO 0.00 -0.70 0.86 -1.17 0.02 0.00 0.00 175.26 174.28 1j26 s LEU 78 N 2.58 4.13 -0.16 1.80 2.96 -0.02 -1.88 118.68 128.07 1j26 s LEU 78 Ca 0.71 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.78 1j26 s LEU 78 Cb -0.38 -3.27 0.03 0.00 0.50 0.00 0.00 46.19 43.08 1j26 s LEU 78 CO 0.31 -0.49 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.07 1j26 s VAL 79 N 2.58 1.38 0.12 1.68 1.01 0.49 -1.27 120.40 126.38 1j26 s VAL 79 Ca 0.38 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1j26 s VAL 79 Cb -0.16 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1j26 s VAL 79 CO 0.09 0.27 -0.11 -1.48 0.00 0.00 0.00 175.10 173.87 1j26 s LEU 80 N 1.53 2.45 -0.03 3.92 2.34 -0.79 -4.63 118.68 123.47 1j26 s LEU 80 Ca 0.02 -0.88 0.02 0.00 0.06 0.00 0.00 54.13 53.35 1j26 s LEU 80 Cb -0.14 -0.37 0.01 0.00 -0.56 0.00 0.00 46.19 45.13 1j26 s LEU 80 CO -0.09 -0.26 -0.07 0.42 -1.06 0.00 0.00 176.35 175.30 1j26 s THR 81 N -2.68 0.65 -0.02 5.48 -4.23 -1.26 -1.54 115.64 112.04 1j26 s THR 81 Ca 0.10 -0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.35 1j26 s THR 81 Cb -0.01 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.21 1j26 s THR 81 CO 0.01 0.23 0.06 -0.94 -0.54 0.00 0.00 174.62 173.44 1j26 s SER 82 N 0.53 -0.01 0.15 3.99 1.04 -0.91 -5.00 113.70 113.49 1j26 s SER 82 Ca -0.08 0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.11 1j26 s SER 82 Cb -0.11 0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.21 1j26 s SER 82 CO 0.01 -0.10 1.00 -1.83 0.98 0.00 0.00 173.24 173.30 1j26 s GLU 83 N -0.32 1.16 0.00 4.02 4.04 -1.26 -3.56 118.70 122.78 1j26 s GLU 83 Ca -0.04 -0.67 0.00 0.00 0.04 0.00 0.00 54.97 54.31 1j26 s GLU 83 Cb -0.03 0.38 0.00 0.00 0.02 0.00 0.00 34.13 34.50 1j26 s GLU 83 CO 0.00 -0.53 0.00 0.43 -1.84 0.00 0.00 175.26 173.32 1j26 n SER 84 N -0.62 0.00 -4.96 0.83 7.64 -1.26 -5.08 113.62 110.17 1j26 n SER 84 Ca -0.06 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.59 1j26 n SER 84 Cb 0.61 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.85 1j26 n SER 84 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1j26 s SER 85 N -0.02 5.17 0.00 6.43 0.01 -1.26 -4.39 113.70 119.64 1j26 s SER 85 Ca 0.00 0.19 0.31 0.00 1.31 0.00 0.00 55.95 57.76 1j26 s SER 85 Cb 0.00 -1.02 1.78 0.00 0.21 0.00 0.00 66.02 66.99 1j26 s SER 85 CO 0.00 -1.26 2.16 -2.11 0.41 0.00 0.00 173.24 172.44 1j26 n ARG 86 N -2.53 0.96 -2.29 12.44 0.00 -1.26 -4.62 116.66 119.37 1j26 n ARG 86 Ca 0.07 -0.07 -0.17 0.00 -0.00 0.00 0.00 57.85 57.69 1j26 n ARG 86 Cb 0.60 -1.50 0.08 0.00 -0.00 0.00 0.00 32.46 31.63 1j26 n ARG 86 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1j26 n TYR 87 N -0.95 -2.80 0.00 2.89 4.01 -1.26 -4.85 117.16 114.19 1j26 n TYR 87 Ca 0.22 -1.47 0.00 0.00 -0.16 0.00 0.00 57.90 56.49 1j26 n TYR 87 Cb 0.15 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 1j26 n TYR 87 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1j26 n GLN 88 N -2.24 0.00 -0.31 -0.72 3.00 -1.26 -4.46 117.38 111.39 1j26 n GLN 88 Ca 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.25 1j26 n GLN 88 Cb 0.46 -0.06 0.37 0.00 0.00 0.00 0.00 30.24 31.00 1j26 n GLN 88 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1j26 h PHE 89 N 0.00 0.90 -0.48 1.08 3.57 -1.98 -1.06 116.94 118.98 1j26 h PHE 89 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1j26 h PHE 89 Cb 0.00 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 1j26 h PHE 89 CO 0.00 0.26 0.25 -0.09 -2.23 0.00 0.00 178.31 176.50 1j26 h ARG 90 N 0.70 0.67 -0.11 1.11 1.12 -2.00 0.22 114.38 116.09 1j26 h ARG 90 Ca 0.52 -0.08 -0.03 0.00 -1.11 0.00 0.00 59.98 59.27 1j26 h ARG 90 Cb 0.88 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.71 1j26 h ARG 90 CO -0.28 0.54 -0.06 -0.91 -3.11 0.00 0.00 179.97 176.15 1j26 h ASN 91 N 0.63 0.24 -1.00 -3.80 2.35 -1.65 -3.09 115.58 109.25 1j26 h ASN 91 Ca 0.17 -0.42 0.21 0.00 -0.55 0.00 0.00 56.30 55.70 1j26 h ASN 91 Cb 0.07 -0.07 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 1j26 h ASN 91 CO -0.03 0.60 0.61 0.25 -1.65 0.00 0.00 177.43 177.22 1j26 h LEU 92 N -0.13 0.74 -1.55 1.61 5.85 -0.91 -1.31 115.31 119.60 1j26 h LEU 92 Ca 0.02 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1j26 h LEU 92 Cb 0.51 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1j26 h LEU 92 CO 0.02 0.23 0.35 0.00 -0.34 0.00 0.00 178.44 178.69 1j26 h ALA 93 N 1.67 1.76 -0.42 1.25 0.00 -0.48 0.12 119.26 123.16 1j26 h ALA 93 Ca 0.59 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.40 1j26 h ALA 93 Cb 1.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1j26 h ALA 93 CO -0.40 0.18 -0.04 1.49 0.00 0.00 0.00 179.25 180.48 1j26 h GLU 94 N 0.58 0.77 -0.67 0.00 4.81 -1.31 0.69 114.58 119.45 1j26 h GLU 94 Ca 0.21 -0.26 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1j26 h GLU 94 Cb 0.12 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1j26 h GLU 94 CO -0.06 0.86 0.35 0.00 -0.73 0.00 0.00 179.01 179.43 1j26 h LEU 96 N 0.62 0.83 -0.91 0.00 3.38 -0.84 -0.86 115.31 117.54 1j26 h LEU 96 Ca 0.31 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1j26 h LEU 96 Cb 0.27 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1j26 h LEU 96 CO -0.22 0.77 0.59 -0.61 0.09 0.00 0.00 178.44 179.05 1j26 h GLN 97 N 0.85 1.12 0.16 1.13 5.75 -0.07 -1.28 115.11 122.76 1j26 h GLN 97 Ca 0.20 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1j26 h GLN 97 Cb 0.19 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1j26 h GLN 97 CO -0.02 0.74 -0.07 0.87 -2.65 0.00 0.00 178.83 177.70 1j26 h LYS 98 N 1.15 -0.20 -0.95 1.69 1.57 -0.35 -1.21 116.57 118.28 1j26 h LYS 98 Ca 0.36 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.38 1j26 h LYS 98 Cb -0.02 0.05 -0.18 0.00 0.08 0.00 0.00 32.23 32.16 1j26 h LYS 98 CO -0.11 0.16 -0.07 0.82 -0.57 0.00 0.00 179.45 179.67 1j26 h ILE 99 N -0.60 0.07 0.11 1.86 2.04 -0.90 0.43 117.51 120.51 1j26 h ILE 99 Ca -0.02 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1j26 h ILE 99 Cb 0.45 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1j26 h ILE 99 CO 0.04 0.00 -0.05 0.03 0.00 0.00 0.00 178.15 178.17 1j26 h ARG 100 N 0.02 -0.14 -0.89 2.37 3.08 -1.05 -1.32 114.38 116.45 1j26 h ARG 100 Ca 0.53 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.60 1j26 h ARG 100 Cb 0.97 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.01 1j26 h ARG 100 CO -0.92 0.11 0.59 -0.44 -1.07 0.00 0.00 179.97 178.24 1j26 h ASP 101 N -0.39 1.00 -0.37 7.04 5.19 0.15 0.16 116.42 129.20 1j26 h ASP 101 Ca -0.02 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.32 1j26 h ASP 101 Cb 0.32 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 1j26 h ASP 101 CO 0.02 0.71 0.06 0.24 -3.12 0.00 0.00 179.24 177.15 1j26 h MET 102 N 1.17 0.71 -0.06 3.56 2.86 -0.13 -0.08 114.93 122.95 1j26 h MET 102 Ca 0.34 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 1j26 h MET 102 Cb -0.08 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.49 1j26 h MET 102 CO -0.09 0.68 -0.36 0.82 1.06 0.00 0.00 176.91 179.02 1j26 h ILE 103 N 0.68 1.43 -0.02 -1.22 2.04 -0.44 -2.83 117.51 117.14 1j26 h ILE 103 Ca 0.15 -1.78 0.02 0.00 1.00 0.00 0.00 64.86 64.24 1j26 h ILE 103 Cb 0.33 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1j26 h ILE 103 CO 0.01 0.51 -0.08 0.00 0.00 0.00 0.00 178.15 178.59 1j26 h ALA 104 N 0.41 -0.07 -0.35 1.87 0.00 -0.40 -0.99 119.26 119.73 1j26 h ALA 104 Ca -0.03 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1j26 h ALA 104 Cb 1.02 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1j26 h ALA 104 CO 0.07 -0.57 -0.12 1.05 0.00 0.00 0.00 179.25 179.68 1j26 h GLU 105 N -0.14 0.61 0.00 0.00 4.11 -1.12 -1.85 114.58 116.20 1j26 h GLU 105 Ca 0.04 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1j26 h GLU 105 Cb 0.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1j26 h GLU 105 CO -0.10 0.72 0.00 0.00 0.07 0.00 0.00 179.01 179.70 1j26 h ALA 106 N 1.31 1.00 -0.02 1.06 0.00 -1.21 -2.93 119.26 118.47 1j26 h ALA 106 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1j26 h ALA 106 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1j26 h ALA 106 CO 0.03 0.00 -0.13 0.45 0.00 0.00 0.00 179.25 179.60 1j26 n SER 107 N -2.79 2.04 -0.55 0.00 2.88 -0.41 -4.48 113.62 110.31 1j26 n SER 107 Ca 0.02 -1.58 0.00 0.00 -1.33 0.00 0.00 58.87 55.98 1j26 n SER 107 Cb 0.32 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1j26 n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j26 n GLY 108 N 1.31 3.63 2.17 0.46 0.00 -1.14 -5.03 105.19 106.58 1j26 n GLY 108 Ca 0.14 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 1j26 n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j26 n PRO 109 N 0.00 2.67 -0.27 1.61 -0.04 -1.26 -4.92 135.00 132.79 1j26 n PRO 109 Ca 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 63.50 62.00 1j26 n PRO 109 Cb 0.00 -2.34 -0.01 0.00 -0.04 0.00 0.00 33.50 31.11 1j26 n PRO 109 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j26 n SER 110 N 3.05 -2.22 -2.97 3.54 7.64 -1.11 -4.89 113.62 116.65 1j26 n SER 110 Ca 0.57 0.29 -0.13 0.00 1.01 0.00 0.00 58.87 60.61 1j26 n SER 110 Cb 0.57 -1.04 -0.02 0.00 -1.01 0.00 0.00 64.21 62.71 1j26 n SER 110 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j26 n SER 111 N -4.18 -2.14 0.00 6.43 7.64 -1.26 -4.83 113.62 115.28 1j26 n SER 111 Ca 0.00 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1j26 n SER 111 Cb 0.12 0.88 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 1j26 n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64