#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j28 n ILE 2 N 0.00 1.38 -2.18 2.02 3.06 -1.26 -4.78 119.36 117.61 2j28 n ILE 2 Ca 0.00 -0.35 -0.43 0.00 -2.50 0.00 0.00 62.75 59.48 2j28 n ILE 2 Cb 0.00 -0.11 -0.02 0.00 0.54 0.00 0.00 39.64 40.04 2j28 n ILE 2 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 2j28 s ARG 3 N -0.71 3.99 -0.94 9.51 1.81 -1.26 -4.85 118.95 126.50 2j28 s ARG 3 Ca 0.72 1.75 -0.24 0.00 -1.72 0.00 0.00 55.73 56.23 2j28 s ARG 3 Cb -1.00 -3.95 -0.05 0.00 -0.45 0.00 0.00 34.95 29.49 2j28 s ARG 3 CO 0.56 -1.05 1.94 -2.00 -0.68 0.00 0.00 175.30 174.07 2j28 s GLU 4 N 4.23 2.57 0.01 3.54 2.56 -1.26 -4.83 118.70 125.52 2j28 s GLU 4 Ca 0.67 -0.40 0.05 0.00 0.00 0.00 0.00 54.97 55.29 2j28 s GLU 4 Cb -0.25 -5.09 -0.02 0.00 2.00 0.00 0.00 34.13 30.77 2j28 s GLU 4 CO 0.26 -3.42 -0.15 -1.21 -0.56 0.00 0.00 175.26 170.18 2j28 s GLU 5 N 6.91 1.14 -1.36 4.30 8.01 -1.26 -5.01 118.70 131.43 2j28 s GLU 5 Ca 0.69 -0.64 -0.13 0.00 0.01 0.00 0.00 54.97 54.90 2j28 s GLU 5 Cb -0.06 -1.13 0.10 0.00 -4.31 0.00 0.00 34.13 28.73 2j28 s GLU 5 CO 0.01 0.30 1.98 -2.13 0.01 0.00 0.00 175.26 175.42 2j28 n ARG 6 N 2.37 3.22 -0.29 1.61 3.00 -1.26 -4.76 116.66 120.55 2j28 n ARG 6 Ca -0.16 -3.12 0.29 0.00 -0.00 0.00 0.00 57.85 54.86 2j28 n ARG 6 Cb 0.55 -3.16 0.53 0.00 0.00 0.00 0.00 32.46 30.37 2j28 n ARG 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2j28 n LEU 7 N 5.50 0.30 -0.04 6.15 7.99 -1.26 -3.26 117.00 132.37 2j28 n LEU 7 Ca 0.46 1.44 -0.04 0.00 -0.01 0.00 0.00 56.01 57.86 2j28 n LEU 7 Cb 0.39 -0.70 -0.01 0.00 -0.11 0.00 0.00 43.42 42.99 2j28 n LEU 7 CO 0.83 -1.61 -0.28 -0.11 -1.51 0.00 0.00 177.39 174.71 2j28 n LEU 8 N -4.94 0.82 -3.64 2.23 7.94 -1.26 -4.79 117.00 113.37 2j28 n LEU 8 Ca 0.34 0.15 -0.41 0.00 -1.11 0.00 0.00 56.01 54.98 2j28 n LEU 8 Cb 1.16 -0.60 -0.02 0.00 0.53 0.00 0.00 43.42 44.48 2j28 n LEU 8 CO 0.02 -0.41 2.58 1.17 -1.11 0.00 0.00 177.39 179.65 2j28 n LYS 9 N -3.33 2.52 -0.09 1.96 4.81 -1.20 -4.37 118.16 118.46 2j28 n LYS 9 Ca -0.06 -2.31 -0.12 0.00 -0.87 0.00 0.00 58.31 54.95 2j28 n LYS 9 Cb 0.22 -3.11 -0.15 0.00 0.02 0.00 0.00 35.03 32.01 2j28 n LYS 9 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2j28 n VAL 10 N 5.17 1.47 -0.66 3.15 3.14 -1.25 -4.84 118.33 124.50 2j28 n VAL 10 Ca 0.53 -0.77 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2j28 n VAL 10 Cb 0.37 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.32 2j28 n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2j28 n LEU 11 N -2.95 0.00 0.00 6.55 -0.00 -1.26 -1.56 117.00 117.78 2j28 n LEU 11 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.68 2j28 n LEU 11 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.52 2j28 n LEU 11 CO 0.39 0.00 0.06 -1.14 -0.00 0.00 0.00 177.39 176.71 2j28 n ARG 12 N 0.00 0.02 -0.83 1.47 0.63 -1.19 -4.62 116.66 112.14 2j28 n ARG 12 Ca 0.00 -0.06 -0.34 0.00 -0.92 0.00 0.00 57.85 56.53 2j28 n ARG 12 Cb 0.00 0.09 0.11 0.00 0.45 0.00 0.00 32.46 33.11 2j28 n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j28 n ALA 13 N -2.87 -3.71 -1.75 5.13 0.00 -1.26 -4.43 120.51 111.62 2j28 n ALA 13 Ca -0.01 -0.80 -0.33 0.00 0.00 0.00 0.00 53.44 52.30 2j28 n ALA 13 Cb 0.04 -1.54 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 2j28 n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2j28 s PRO 14 N -3.16 3.63 0.00 0.00 0.04 -1.26 -3.06 135.00 131.20 2j28 s PRO 14 Ca 0.52 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2j28 s PRO 14 Cb -0.17 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2j28 s PRO 14 CO 0.70 -0.56 0.60 1.58 0.04 0.00 0.00 177.00 179.37 2j28 n HIS 15 N -1.46 0.00 -0.57 0.56 -0.00 -1.26 -4.76 115.22 107.73 2j28 n HIS 15 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 2j28 n HIS 15 Cb 0.53 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 2j28 n HIS 15 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2j28 n VAL 16 N -0.95 -1.49 -2.24 3.57 0.31 -1.26 -5.01 118.33 111.26 2j28 n VAL 16 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2j28 n VAL 16 Cb 0.00 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 2j28 n VAL 16 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2j28 n SER 17 N 0.00 0.00 -0.06 4.52 3.41 -1.26 -4.91 113.62 115.32 2j28 n SER 17 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2j28 n SER 17 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2j28 n SER 17 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2j28 h GLU 18 N 0.00 0.33 -0.02 4.33 4.22 -2.04 -2.34 114.58 119.05 2j28 h GLU 18 Ca 0.00 -0.13 0.01 0.00 0.08 0.00 0.00 59.36 59.31 2j28 h GLU 18 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2j28 h GLU 18 CO 0.00 0.61 0.02 0.87 -2.18 0.00 0.00 179.01 178.33 2j28 h LYS 19 N 0.03 0.00 -7.08 1.92 1.79 -1.98 -3.35 116.57 107.89 2j28 h LYS 19 Ca 0.04 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.98 2j28 h LYS 19 Cb 0.50 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.26 2j28 h LYS 19 CO 0.02 0.00 0.49 0.00 -1.08 0.00 0.00 179.45 178.88 2j28 s ALA 20 N -4.96 2.62 0.00 3.86 0.00 -0.88 -0.74 121.76 121.65 2j28 s ALA 20 Ca -0.05 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2j28 s ALA 20 Cb 0.17 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2j28 s ALA 20 CO 0.64 -1.15 0.00 0.45 0.00 0.00 0.00 175.76 175.70 2j28 n SER 21 N -1.42 0.00 0.19 0.00 2.88 -1.26 -4.25 113.62 109.76 2j28 n SER 21 Ca 0.13 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.71 2j28 n SER 21 Cb 0.49 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.31 2j28 n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j28 h THR 22 N 0.00 1.05 -0.07 2.46 1.03 -1.68 -1.05 112.91 114.65 2j28 h THR 22 Ca 0.00 -1.43 -0.21 0.00 -0.01 0.00 0.00 66.41 64.76 2j28 h THR 22 Cb 0.00 1.82 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 2j28 h THR 22 CO 0.00 0.38 -0.80 0.00 -0.01 0.00 0.00 175.52 175.09 2j28 h ALA 23 N 1.62 0.46 -0.09 0.00 0.00 -1.11 -2.95 119.26 117.18 2j28 h ALA 23 Ca -0.00 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.29 2j28 h ALA 23 Cb 0.79 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2j28 h ALA 23 CO 0.05 0.75 0.06 0.52 0.00 0.00 0.00 179.25 180.64 2j28 h MET 24 N 0.33 0.05 0.00 0.00 2.86 -0.52 -0.46 114.93 117.19 2j28 h MET 24 Ca -0.05 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2j28 h MET 24 Cb 1.40 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.05 2j28 h MET 24 CO 0.14 0.04 -0.11 1.49 1.06 0.00 0.00 176.91 179.53 2j28 h GLU 25 N 0.06 0.00 0.23 1.72 4.57 -1.20 0.22 114.58 120.18 2j28 h GLU 25 Ca 0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2j28 h GLU 25 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2j28 h GLU 25 CO -0.00 0.11 -0.11 0.87 -1.18 0.00 0.00 179.01 178.70 2j28 h LYS 26 N 0.00 -0.30 0.00 1.92 1.57 -1.17 -3.42 116.57 115.17 2j28 h LYS 26 Ca -0.00 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2j28 h LYS 26 Cb 0.43 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.73 2j28 h LYS 26 CO 0.01 0.06 -0.22 -1.13 -0.57 0.00 0.00 179.45 177.60 2j28 n SER 27 N -5.05 -0.33 -1.54 0.86 3.41 -1.23 -4.93 113.62 104.82 2j28 n SER 27 Ca -0.09 -1.54 -0.14 0.00 -0.26 0.00 0.00 58.87 56.84 2j28 n SER 27 Cb 0.26 0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 2j28 n SER 27 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2j28 n ASN 28 N 0.03 -4.44 -4.63 4.04 4.13 0.77 -4.28 115.26 110.89 2j28 n ASN 28 Ca -0.11 0.05 -0.41 0.00 1.68 0.00 0.00 54.58 55.79 2j28 n ASN 28 Cb 0.64 -3.53 -0.06 0.00 -1.54 0.00 0.00 39.78 35.29 2j28 n ASN 28 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2j28 s THR 29 N -2.68 4.93 0.29 3.41 -1.32 -0.82 -4.40 115.64 115.05 2j28 s THR 29 Ca 0.00 1.22 0.09 0.00 -1.21 0.00 0.00 61.69 61.79 2j28 s THR 29 Cb 0.00 -3.99 -0.04 0.00 -1.51 0.00 0.00 72.50 66.95 2j28 s THR 29 CO 0.00 -0.02 0.04 -0.51 -2.21 0.00 0.00 174.62 171.92 2j28 s ILE 30 N 2.62 3.37 0.00 5.08 2.07 -1.17 -1.92 121.20 131.26 2j28 s ILE 30 Ca 0.29 -1.83 0.00 0.00 -1.41 0.00 0.00 60.65 57.69 2j28 s ILE 30 Cb -0.15 -2.91 0.00 0.00 0.13 0.00 0.00 42.46 39.53 2j28 s ILE 30 CO 0.09 -0.32 0.00 0.55 -1.91 0.00 0.00 174.94 173.35 2j28 n VAL 31 N -0.98 0.00 -1.20 4.00 3.14 -1.26 -3.69 118.33 118.35 2j28 n VAL 31 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2j28 n VAL 31 Cb 0.60 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 2j28 n VAL 31 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2j28 n LEU 32 N -0.80 -3.30 -4.34 6.55 4.77 -1.26 -3.68 117.00 114.94 2j28 n LEU 32 Ca 0.00 2.20 -0.37 0.00 -0.03 0.00 0.00 56.01 57.81 2j28 n LEU 32 Cb 0.00 -1.84 -0.13 0.00 -2.33 0.00 0.00 43.42 39.13 2j28 n LEU 32 CO 0.00 -0.02 -0.29 -1.59 -1.33 0.00 0.00 177.39 174.16 2j28 s LYS 33 N -3.66 3.09 0.61 3.23 0.00 -1.17 -2.87 119.74 118.96 2j28 s LYS 33 Ca 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 55.97 55.09 2j28 s LYS 33 Cb 0.00 -3.34 0.04 0.00 0.00 0.00 0.00 37.83 34.53 2j28 s LYS 33 CO 0.00 -0.43 0.88 0.54 0.00 0.00 0.00 175.35 176.34 2j28 s VAL 34 N 1.49 2.81 0.61 1.79 0.11 -1.26 -3.14 120.40 122.80 2j28 s VAL 34 Ca 0.02 -0.39 -0.14 0.00 -2.93 0.00 0.00 61.98 58.54 2j28 s VAL 34 Cb -0.17 -3.12 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 2j28 s VAL 34 CO 0.02 -0.11 1.04 0.00 -3.33 0.00 0.00 175.10 172.73 2j28 s ALA 35 N -2.96 2.80 0.00 1.54 0.00 -0.60 -4.29 121.76 118.25 2j28 s ALA 35 Ca 0.57 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2j28 s ALA 35 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2j28 s ALA 35 CO 0.42 -0.80 0.51 1.63 0.00 0.00 0.00 175.76 177.52 2j28 n LYS 36 N -2.25 0.00 -0.59 0.00 5.02 -1.26 -2.82 118.16 116.26 2j28 n LYS 36 Ca 0.08 0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 56.55 2j28 n LYS 36 Cb 0.53 -0.96 -0.07 0.00 -0.02 0.00 0.00 35.03 34.51 2j28 n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2j28 n ASP 37 N -1.22 1.58 -0.13 4.39 8.00 -1.26 -4.48 116.55 123.43 2j28 n ASP 37 Ca 0.00 -2.43 -0.28 0.00 0.71 0.00 0.00 54.79 52.80 2j28 n ASP 37 Cb 0.00 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 40.29 2j28 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j28 n ALA 38 N 7.32 1.11 -2.10 2.24 0.00 -1.13 -5.11 120.51 122.85 2j28 n ALA 38 Ca 0.38 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2j28 n ALA 38 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2j28 n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2j28 n THR 39 N -4.29-12.13 -0.31 0.00 -2.24 -1.26 -3.95 114.28 90.09 2j28 n THR 39 Ca -0.49 2.86 0.13 0.00 -2.27 0.00 0.00 64.05 64.27 2j28 n THR 39 Cb 0.83 -5.58 0.27 0.00 -2.10 0.00 0.00 70.33 63.75 2j28 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2j28 h LYS 40 N 3.76 0.07 -0.92 -0.78 1.57 -1.99 0.34 116.57 118.62 2j28 h LYS 40 Ca 0.00 -0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 2j28 h LYS 40 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 2j28 h LYS 40 CO 0.00 0.04 0.65 0.00 -0.57 0.00 0.00 179.45 179.57 2j28 h ALA 41 N 1.88 2.71 0.00 3.86 0.00 -2.01 0.83 119.26 126.54 2j28 h ALA 41 Ca 0.55 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 2j28 h ALA 41 Cb 1.12 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2j28 h ALA 41 CO -0.81 -0.99 -0.49 1.49 0.00 0.00 0.00 179.25 178.45 2j28 h GLU 42 N 0.09 0.00 0.01 0.00 4.81 -0.46 -3.32 114.58 115.72 2j28 h GLU 42 Ca 0.45 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.64 2j28 h GLU 42 Cb 1.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.01 2j28 h GLU 42 CO -0.05 0.33 -0.17 0.82 -0.73 0.00 0.00 179.01 179.21 2j28 h ILE 43 N 0.00 1.62 -0.91 2.32 1.08 0.83 -2.97 117.51 119.48 2j28 h ILE 43 Ca -0.02 -2.05 0.09 0.00 -0.39 0.00 0.00 64.86 62.48 2j28 h ILE 43 Cb 1.29 2.97 -0.12 0.00 -3.07 0.00 0.00 36.82 37.89 2j28 h ILE 43 CO 0.04 0.55 -0.58 0.50 -0.69 0.00 0.00 178.15 177.98 2j28 h LYS 44 N -0.67 -0.06 -0.33 2.37 3.64 -0.99 0.16 116.57 120.69 2j28 h LYS 44 Ca -0.02 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 2j28 h LYS 44 Cb 1.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2j28 h LYS 44 CO 0.03 -0.04 -0.20 0.00 -2.27 0.00 0.00 179.45 176.97 2j28 h ALA 45 N 0.46 1.02 -0.43 5.00 0.00 -1.71 -1.95 119.26 121.65 2j28 h ALA 45 Ca 0.16 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2j28 h ALA 45 Cb 0.45 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 2j28 h ALA 45 CO -0.89 0.58 -0.04 0.00 0.00 0.00 0.00 179.25 178.90 2j28 h ALA 46 N 1.22 0.36 0.00 0.00 0.00 -0.58 0.25 119.26 120.51 2j28 h ALA 46 Ca 0.08 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2j28 h ALA 46 Cb 0.66 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2j28 h ALA 46 CO 0.05 -0.42 -0.02 -0.24 0.00 0.00 0.00 179.25 178.62 2j28 h VAL 47 N 0.06 1.70 0.70 0.00 3.04 -1.04 -3.38 116.25 117.33 2j28 h VAL 47 Ca 0.21 -2.07 -0.03 0.00 -1.01 0.00 0.00 66.70 63.80 2j28 h VAL 47 Cb 0.32 3.10 0.01 0.00 -2.01 0.00 0.00 31.29 32.71 2j28 h VAL 47 CO -0.39 0.54 -0.34 0.06 -1.01 0.00 0.00 177.57 176.43 2j28 h GLN 48 N -0.86 -0.90 -7.18 4.17 3.07 -1.25 -3.26 115.11 108.90 2j28 h GLN 48 Ca -0.00 0.06 -0.50 0.00 0.09 0.00 0.00 58.65 58.30 2j28 h GLN 48 Cb 0.90 0.21 0.09 0.00 0.08 0.00 0.00 27.48 28.75 2j28 h GLN 48 CO 0.00 -0.60 0.38 0.15 0.09 0.00 0.00 178.83 178.86 2j28 s LYS 49 N -5.95 3.05 0.00 0.06 1.02 0.86 -1.41 119.74 117.37 2j28 s LYS 49 Ca -0.18 1.37 0.00 0.00 0.02 0.00 0.00 55.97 57.19 2j28 s LYS 49 Cb 0.03 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 2j28 s LYS 49 CO 0.61 -1.05 0.00 1.47 -0.92 0.00 0.00 175.35 175.46 2j28 n LEU 50 N -2.10 0.00 -0.77 3.17 -0.00 -1.26 -4.07 117.00 111.97 2j28 n LEU 50 Ca 0.10 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.18 2j28 n LEU 50 Cb 0.52 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 44.15 2j28 n LEU 50 CO 0.46 0.00 0.67 0.33 -0.00 0.00 0.00 177.39 178.86 2j28 n PHE 51 N 0.00 0.53 -3.19 1.47 7.35 -1.23 -5.01 117.46 117.37 2j28 n PHE 51 Ca 0.00 -0.26 -0.19 0.00 -0.76 0.00 0.00 57.45 56.24 2j28 n PHE 51 Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 2j28 n PHE 51 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2j28 n GLU 52 N 0.72 -1.01 0.00 -4.13 4.71 -0.50 -4.90 120.64 115.53 2j28 n GLU 52 Ca 0.15 1.02 0.00 0.00 -0.01 0.00 0.00 57.16 58.32 2j28 n GLU 52 Cb 0.36 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 2j28 n GLU 52 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2j28 n VAL 53 N 0.55 0.00 -3.32 2.62 0.24 -1.07 -4.80 118.33 112.54 2j28 n VAL 53 Ca -0.04 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.16 2j28 n VAL 53 Cb 0.56 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 2j28 n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2j28 n GLU 54 N -1.11 -1.41 -0.31 7.34 4.71 -1.26 -4.60 120.64 123.99 2j28 n GLU 54 Ca 0.00 1.21 0.00 0.00 -0.01 0.00 0.00 57.16 58.36 2j28 n GLU 54 Cb 0.04 -4.59 0.00 0.00 -1.01 0.00 0.00 31.44 25.88 2j28 n GLU 54 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2j28 n VAL 55 N -2.18 0.00 -3.34 2.62 3.14 -1.26 -4.17 118.33 113.15 2j28 n VAL 55 Ca -0.11 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.29 2j28 n VAL 55 Cb 0.57 -1.59 -0.04 0.00 -1.06 0.00 0.00 33.84 31.72 2j28 n VAL 55 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2j28 s GLU 56 N -1.64 0.22 0.54 1.45 2.12 -1.26 -4.77 118.70 115.36 2j28 s GLU 56 Ca 0.00 0.56 0.00 0.00 0.36 0.00 0.00 54.97 55.89 2j28 s GLU 56 Cb 0.00 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.72 2j28 s GLU 56 CO 0.00 -0.08 0.00 1.33 -0.54 0.00 0.00 175.26 175.97 2j28 n VAL 57 N 4.89 -2.53 0.00 3.70 0.24 -1.26 -4.43 118.33 118.94 2j28 n VAL 57 Ca -0.08 1.30 0.00 0.00 -2.04 0.00 0.00 64.34 63.51 2j28 n VAL 57 Cb 0.53 -2.15 0.00 0.00 -1.47 0.00 0.00 33.84 30.75 2j28 n VAL 57 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2j28 n VAL 58 N -2.63 0.00 0.00 3.34 0.31 -1.26 -3.89 118.33 114.20 2j28 n VAL 58 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2j28 n VAL 58 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 2j28 n VAL 58 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2j28 n ASN 59 N 0.00 0.00 -1.31 4.52 4.13 -1.26 -4.79 115.26 116.56 2j28 n ASN 59 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2j28 n ASN 59 Cb 0.00 0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 2j28 n ASN 59 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2j28 n THR 60 N -1.58 -4.45 -0.12 3.41 -2.24 -1.25 -4.97 114.28 103.08 2j28 n THR 60 Ca 0.00 1.94 0.00 0.00 -2.27 0.00 0.00 64.05 63.72 2j28 n THR 60 Cb 0.00 -2.69 0.00 0.00 -2.10 0.00 0.00 70.33 65.54 2j28 n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2j28 n LEU 61 N -0.99 0.00 0.00 3.22 4.77 -0.77 -4.88 117.00 118.35 2j28 n LEU 61 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2j28 n LEU 61 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2j28 n LEU 61 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.39 2j28 n VAL 62 N 0.00 0.00 -0.00 4.08 0.24 -1.26 -4.06 118.33 117.33 2j28 n VAL 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2j28 n VAL 62 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2j28 n VAL 62 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2j28 n VAL 63 N 0.00 -0.95 0.00 3.34 0.31 -1.26 -2.07 118.33 117.71 2j28 n VAL 63 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2j28 n VAL 63 Cb 0.00 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 2j28 n VAL 63 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2j28 n LYS 64 N -1.03 0.00 0.00 5.55 4.01 -1.26 -1.35 118.16 124.08 2j28 n LYS 64 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2j28 n LYS 64 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2j28 n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2j28 n GLY 65 N 5.00 -1.48 0.96 0.72 0.00 -1.26 -3.85 105.19 105.28 2j28 n GLY 65 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2j28 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j28 n LYS 66 N 0.00 -1.53 0.00 1.61 0.00 -1.20 -4.97 118.16 112.07 2j28 n LYS 66 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 58.31 59.76 2j28 n LYS 66 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 33.82 2j28 n LYS 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2j28 n VAL 67 N 0.52 0.00 -3.15 3.15 0.31 -1.23 -5.00 118.33 112.94 2j28 n VAL 67 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2j28 n VAL 67 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2j28 n VAL 67 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2j28 s LYS 68 N 1.98 0.16 0.00 5.55 2.20 -1.26 -4.12 119.74 124.25 2j28 s LYS 68 Ca 0.00 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 2j28 s LYS 68 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2j28 s LYS 68 CO 0.00 -0.24 0.00 -2.13 -0.36 0.00 0.00 175.35 172.62 2j28 n ARG 69 N 5.29 0.00 -1.22 4.03 0.63 -1.24 -4.96 116.66 119.19 2j28 n ARG 69 Ca 0.02 0.27 -0.29 0.00 -0.92 0.00 0.00 57.85 56.92 2j28 n ARG 69 Cb 0.56 -0.77 0.21 0.00 0.45 0.00 0.00 32.46 32.91 2j28 n ARG 69 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2j28 s HIS 70 N -0.56 1.25 0.00 -0.14 2.46 -1.26 -5.00 115.29 112.04 2j28 s HIS 70 Ca 0.00 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.18 2j28 s HIS 70 Cb 0.00 -3.45 0.00 0.00 -0.13 0.00 0.00 32.58 29.00 2j28 s HIS 70 CO 0.00 -3.35 0.00 0.41 -2.47 0.00 0.00 174.74 169.33 2j28 n GLY 71 N -1.35 0.00 3.89 1.59 0.00 -1.26 -4.73 105.19 103.32 2j28 n GLY 71 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2j28 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j28 s GLN 72 N 0.00 2.42 0.00 1.61 -0.21 -1.26 -4.81 119.66 117.41 2j28 s GLN 72 Ca 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.69 2j28 s GLN 72 Cb 0.00 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.71 2j28 s GLN 72 CO 0.00 -0.36 0.00 0.54 -2.12 0.00 0.00 175.29 173.35 2j28 n ARG 73 N -1.64 0.00 -2.10 2.91 3.00 -1.26 -4.87 116.66 112.69 2j28 n ARG 73 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.45 2j28 n ARG 73 Cb 0.63 -0.21 -0.03 0.00 0.00 0.00 0.00 32.46 32.85 2j28 n ARG 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2j28 s ILE 74 N 0.00 3.55 0.23 0.55 -1.09 -1.26 -4.96 121.20 118.22 2j28 s ILE 74 Ca 0.00 0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 58.82 2j28 s ILE 74 Cb 0.00 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 2j28 s ILE 74 CO 0.00 -0.63 0.42 -0.83 -1.23 0.00 0.00 174.94 172.67 2j28 s GLY 75 N 6.03 0.57 0.00 6.18 0.00 -1.26 -3.65 107.32 115.20 2j28 s GLY 75 Ca 0.72 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.52 2j28 s GLY 75 CO 0.30 -0.70 0.00 -0.96 0.00 0.00 0.00 173.10 171.74 2j28 n ARG 76 N -0.35 0.00 0.00 2.90 0.00 -1.26 -5.02 116.66 112.94 2j28 n ARG 76 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2j28 n ARG 76 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.08 2j28 n ARG 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2j28 n ARG 77 N 0.00 3.76 0.00 2.89 0.63 -1.26 -3.26 116.66 119.42 2j28 n ARG 77 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2j28 n ARG 77 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2j28 n ARG 77 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2j28 n SER 78 N 0.00 0.00 -1.13 6.15 3.41 -1.26 -4.28 113.62 116.51 2j28 n SER 78 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 2j28 n SER 78 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2j28 n SER 78 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2j28 n ASP 79 N 0.00 -6.57 0.00 4.04 8.00 -1.25 -4.97 116.55 115.81 2j28 n ASP 79 Ca 0.00 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2j28 n ASP 79 Cb 0.00 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 2j28 n ASP 79 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2j28 n TRP 80 N -3.43 0.00 -3.58 1.24 -0.00 -0.46 -4.81 117.44 106.40 2j28 n TRP 80 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.39 2j28 n TRP 80 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.90 2j28 n TRP 80 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2j28 s LYS 81 N -0.70 1.18 0.27 5.87 2.20 -0.88 -4.16 119.74 123.53 2j28 s LYS 81 Ca 0.00 -0.66 0.05 0.00 -0.36 0.00 0.00 55.97 55.00 2j28 s LYS 81 Cb 0.00 0.51 -0.06 0.00 -1.51 0.00 0.00 37.83 36.78 2j28 s LYS 81 CO 0.00 -0.49 -0.02 0.21 -0.36 0.00 0.00 175.35 174.69 2j28 s LYS 82 N -3.80 1.50 0.13 4.03 2.47 -1.26 -4.38 119.74 118.44 2j28 s LYS 82 Ca 0.03 -1.77 -0.22 0.00 -1.56 0.00 0.00 55.97 52.45 2j28 s LYS 82 Cb 0.01 -0.95 0.06 0.00 -1.46 0.00 0.00 37.83 35.49 2j28 s LYS 82 CO -0.11 -0.04 0.56 0.00 0.16 0.00 0.00 175.35 175.92 2j28 s ALA 83 N -3.18 -1.46 0.00 3.13 0.00 -1.14 -1.86 121.76 117.26 2j28 s ALA 83 Ca 0.30 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2j28 s ALA 83 Cb 0.05 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2j28 s ALA 83 CO 0.11 -0.70 0.00 0.66 0.00 0.00 0.00 175.76 175.83 2j28 n TYR 84 N -0.20 0.00 -0.06 0.00 0.53 -1.24 -4.18 117.16 112.01 2j28 n TYR 84 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.71 2j28 n TYR 84 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.95 2j28 n TYR 84 CO 0.00 0.00 0.00 1.33 -1.02 0.00 0.00 176.86 177.17 2j28 n VAL 85 N -0.03 0.00 0.00 -0.72 0.24 -1.24 -3.02 118.33 113.55 2j28 n VAL 85 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2j28 n VAL 85 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2j28 n VAL 85 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2j28 n THR 86 N 0.00 0.00 -1.64 3.34 -1.04 -1.25 -4.55 114.28 109.14 2j28 n THR 86 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2j28 n THR 86 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 2j28 n THR 86 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2j28 n LEU 87 N -1.74 -2.91 -4.72 -4.42 4.77 -1.26 -1.94 117.00 104.78 2j28 n LEU 87 Ca 0.00 0.52 -0.35 0.00 -0.03 0.00 0.00 56.01 56.15 2j28 n LEU 87 Cb 0.00 -1.49 0.08 0.00 -2.33 0.00 0.00 43.42 39.68 2j28 n LEU 87 CO 0.00 -0.82 0.85 -0.54 -1.33 0.00 0.00 177.39 175.54 2j28 s LYS 88 N -1.09 2.31 0.57 3.23 1.02 -1.26 -4.44 119.74 120.08 2j28 s LYS 88 Ca -0.05 1.90 0.28 0.00 0.02 0.00 0.00 55.97 58.12 2j28 s LYS 88 Cb 0.00 -1.84 1.71 0.00 -0.52 0.00 0.00 37.83 37.19 2j28 s LYS 88 CO 0.14 -1.74 2.22 1.05 -0.92 0.00 0.00 175.35 176.10 2j28 h GLU 89 N 0.08 0.00 0.00 1.68 9.09 -1.94 -3.20 114.58 120.29 2j28 h GLU 89 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 2j28 h GLU 89 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 2j28 h GLU 89 CO 0.51 0.02 0.00 0.41 0.05 0.00 0.00 179.01 180.00 2j28 n GLY 90 N -1.28 -1.50 3.55 1.06 0.00 -1.26 -4.47 105.19 101.29 2j28 n GLY 90 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2j28 n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j28 s GLN 91 N -1.80 2.94 0.00 1.61 -0.21 -1.21 -4.97 119.66 116.03 2j28 s GLN 91 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.53 2j28 s GLN 91 Cb 0.00 -4.27 0.00 0.00 1.00 0.00 0.00 33.01 29.74 2j28 s GLN 91 CO 0.00 -2.40 0.00 0.09 -2.12 0.00 0.00 175.29 170.86 2j28 n ASN 92 N 10.86 0.00 0.00 5.90 3.02 -1.26 -4.29 115.26 129.49 2j28 n ASN 92 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2j28 n ASN 92 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 2j28 n ASN 92 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2j28 n LEU 93 N 0.00 0.00 -3.56 3.41 4.32 -1.26 -4.69 117.00 115.22 2j28 n LEU 93 Ca 0.00 -0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.78 2j28 n LEU 93 Cb 0.00 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 41.87 2j28 n LEU 93 CO 0.00 0.06 0.11 -0.67 -1.22 0.00 0.00 177.39 175.67 2j28 n ASP 94 N 0.00 -3.17 0.00 -1.43 -0.08 -1.26 -4.64 116.55 105.98 2j28 n ASP 94 Ca 0.00 -0.65 0.00 0.00 -1.51 0.00 0.00 54.79 52.63 2j28 n ASP 94 Cb 0.26 -4.81 0.00 0.00 2.34 0.00 0.00 41.12 38.91 2j28 n ASP 94 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2j28 n PHE 95 N -4.42 0.00 -1.06 -0.67 -0.00 -1.26 -4.83 117.46 105.22 2j28 n PHE 95 Ca -0.19 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.03 2j28 n PHE 95 Cb 0.63 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 40.16 2j28 n PHE 95 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2j28 n VAL 96 N 0.00 3.07 -4.33 -2.13 0.24 -1.26 -4.94 118.33 108.97 2j28 n VAL 96 Ca 0.00 -2.12 -0.26 0.00 -2.04 0.00 0.00 64.34 59.92 2j28 n VAL 96 Cb 0.00 -1.29 -0.08 0.00 -1.47 0.00 0.00 33.84 30.99 2j28 n VAL 96 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2j28 s GLY 97 N -0.43 2.45 0.00 7.63 0.00 -1.26 -5.12 107.32 110.59 2j28 s GLY 97 Ca 0.42 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 43.12 2j28 s GLY 97 CO -0.02 -2.00 0.00 0.61 0.00 0.00 0.00 173.10 171.69 2j28 n GLY 98 N -1.17 3.05 0.75 0.20 0.00 -1.26 -5.23 105.19 101.52 2j28 n GLY 98 Ca -0.04 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.02 2j28 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32