#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j01 s ARG 3 N 0.00 3.16 -0.77 -0.52 3.52 -1.26 -5.02 118.95 118.07 2j01 s ARG 3 Ca 0.00 -0.72 -0.23 0.00 -0.13 0.00 0.00 55.73 54.65 2j01 s ARG 3 Cb 0.00 -3.94 0.07 0.00 -1.56 0.00 0.00 34.95 29.52 2j01 s ARG 3 CO 0.00 -0.79 1.11 0.00 -0.81 0.00 0.00 175.30 174.81 2j01 s ALA 4 N 2.08 3.05 0.83 6.12 0.00 -1.26 -5.02 121.76 127.56 2j01 s ALA 4 Ca 0.11 -1.98 -0.11 0.00 0.00 0.00 0.00 51.96 49.98 2j01 s ALA 4 Cb -0.17 -4.05 0.09 0.00 0.00 0.00 0.00 23.12 18.99 2j01 s ALA 4 CO 0.13 -3.01 1.13 0.15 0.00 0.00 0.00 175.76 174.16 2j01 s LYS 5 N 4.21 1.72 0.29 0.00 1.02 -1.26 -4.90 119.74 120.82 2j01 s LYS 5 Ca 0.29 1.39 0.03 0.00 0.02 0.00 0.00 55.97 57.71 2j01 s LYS 5 Cb -0.11 -1.82 0.45 0.00 -0.52 0.00 0.00 37.83 35.83 2j01 s LYS 5 CO 0.05 -2.08 1.75 1.15 -0.92 0.00 0.00 175.35 175.30 2j01 h THR 6 N -1.34 1.26 0.00 2.17 2.02 -2.05 -3.45 112.91 111.51 2j01 h THR 6 Ca -0.44 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.53 2j01 h THR 6 Cb 1.25 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2j01 h THR 6 CO 0.47 0.38 0.00 0.61 0.37 0.00 0.00 175.52 177.35 2j01 n GLY 7 N -0.44 0.40 0.57 2.16 0.00 -1.26 -3.39 105.19 103.22 2j01 n GLY 7 Ca -0.00 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.57 2j01 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2j01 n VAL 8 N 0.00 1.20 0.00 1.61 0.31 -1.26 -4.89 118.33 115.30 2j01 n VAL 8 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 2j01 n VAL 8 Cb 0.00 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 2j01 n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2j01 n VAL 9 N -3.79 0.00 -0.09 2.52 0.31 -1.22 -0.70 118.33 115.37 2j01 n VAL 9 Ca -0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.19 2j01 n VAL 9 Cb 0.22 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.09 2j01 n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2j01 h ARG 10 N 0.00 -0.22 -0.80 5.55 2.43 -1.90 -0.10 114.38 119.34 2j01 h ARG 10 Ca 0.00 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 2j01 h ARG 10 Cb 0.00 0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 29.48 2j01 h ARG 10 CO 0.00 -0.15 -0.37 -2.13 -1.51 0.00 0.00 179.97 175.81 2j01 n ARG 11 N -4.28 -0.25 0.31 0.20 0.63 0.13 0.67 116.66 114.07 2j01 n ARG 11 Ca -0.02 1.22 -0.18 0.00 -0.92 0.00 0.00 57.85 57.95 2j01 n ARG 11 Cb 0.20 -1.80 -0.09 0.00 0.45 0.00 0.00 32.46 31.22 2j01 n ARG 11 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j01 h ARG 12 N 0.00 -0.91 -1.64 -0.14 3.08 -1.42 -0.22 114.38 113.13 2j01 h ARG 12 Ca 0.22 0.06 0.48 0.00 0.07 0.00 0.00 59.98 60.81 2j01 h ARG 12 Cb 0.42 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.61 2j01 h ARG 12 CO -0.77 -0.61 1.34 0.87 -1.07 0.00 0.00 179.97 179.73 2j01 h LYS 13 N -0.94 0.00 0.05 0.04 1.79 0.21 0.65 116.57 118.37 2j01 h LYS 13 Ca -0.06 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.09 2j01 h LYS 13 Cb 0.80 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 2j01 h LYS 13 CO -0.00 0.00 -1.79 0.72 -1.08 0.00 0.00 179.45 177.30 2j01 n HIS 14 N -3.72 0.90 -0.31 -1.35 8.25 0.02 -3.89 115.22 115.12 2j01 n HIS 14 Ca 0.37 0.29 0.14 0.00 -0.26 0.00 0.00 57.72 58.26 2j01 n HIS 14 Cb 1.83 -1.10 0.32 0.00 1.12 0.00 0.00 29.99 32.15 2j01 n HIS 14 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2j01 h LYS 15 N -0.53 0.35 0.15 -0.41 2.10 0.84 0.19 116.57 119.27 2j01 h LYS 15 Ca -0.44 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2j01 h LYS 15 Cb 1.66 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.89 2j01 h LYS 15 CO -0.12 0.23 -0.28 0.87 -2.00 0.00 0.00 179.45 178.16 2j01 h LYS 16 N 0.36 -0.44 -0.79 0.07 1.57 -1.56 0.50 116.57 116.28 2j01 h LYS 16 Ca 0.57 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.52 2j01 h LYS 16 Cb 1.12 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 2j01 h LYS 16 CO -0.56 -0.30 0.52 0.82 -0.57 0.00 0.00 179.45 179.36 2j01 h ILE 17 N -0.46 0.84 0.73 1.86 1.08 -1.31 -2.21 117.51 118.04 2j01 h ILE 17 Ca -0.02 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.23 2j01 h ILE 17 Cb 0.43 0.25 0.01 0.00 -3.07 0.00 0.00 36.82 34.43 2j01 h ILE 17 CO -0.10 0.10 -0.35 -0.07 -0.69 0.00 0.00 178.15 177.04 2j01 h LEU 18 N 0.55 -0.83 -0.85 1.44 3.38 0.15 -2.24 115.31 116.92 2j01 h LEU 18 Ca 0.38 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.46 2j01 h LEU 18 Cb 0.71 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 2j01 h LEU 18 CO -0.14 -0.57 -0.50 0.29 0.09 0.00 0.00 178.44 177.61 2j01 n LYS 19 N -4.74 -0.37 -0.33 1.13 5.02 0.09 0.21 118.16 119.18 2j01 n LYS 19 Ca -0.12 1.29 0.27 0.00 -2.02 0.00 0.00 58.31 57.73 2j01 n LYS 19 Cb 0.38 -1.89 0.51 0.00 -0.02 0.00 0.00 35.03 34.01 2j01 n LYS 19 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2j01 h LEU 20 N 0.00 0.16 -3.99 -0.35 -0.00 -1.28 0.17 115.31 110.02 2j01 h LEU 20 Ca 0.14 0.26 -0.61 0.00 -0.00 0.00 0.00 57.88 57.67 2j01 h LEU 20 Cb 0.36 0.30 -0.30 0.00 -0.00 0.00 0.00 40.66 41.02 2j01 h LEU 20 CO -0.80 -0.39 0.78 0.00 -0.00 0.00 0.00 178.44 178.03 2j01 n ALA 21 N -2.45 6.02 -1.86 1.53 0.00 0.56 -4.98 120.51 119.33 2j01 n ALA 21 Ca 0.34 -3.22 -0.39 0.00 0.00 0.00 0.00 53.44 50.18 2j01 n ALA 21 Cb 1.14 -1.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 2j01 n ALA 21 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2j01 s LYS 22 N -3.59 4.66 0.00 0.00 -0.14 0.60 -3.62 119.74 117.65 2j01 s LYS 22 Ca 0.61 1.30 0.00 0.00 -1.36 0.00 0.00 55.97 56.52 2j01 s LYS 22 Cb 0.49 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 2j01 s LYS 22 CO 0.04 0.48 0.00 0.41 -0.76 0.00 0.00 175.35 175.52 2j01 n GLY 23 N 1.28 1.03 3.09 -3.33 0.00 -1.26 -5.05 105.19 100.95 2j01 n GLY 23 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2j01 n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2j01 n TYR 24 N -2.00 -3.78 0.00 1.61 0.53 -1.24 -5.04 117.16 107.24 2j01 n TYR 24 Ca 0.00 -0.87 0.00 0.00 -1.02 0.00 0.00 57.90 56.01 2j01 n TYR 24 Cb 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 39.34 37.29 2j01 n TYR 24 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 2j01 n TRP 25 N -4.70 0.00 0.00 -0.72 -0.00 -1.26 -4.65 117.44 106.11 2j01 n TRP 25 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 2j01 n TRP 25 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 2j01 n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2j01 n GLY 26 N 0.71 1.05 0.27 5.87 0.00 -1.26 -4.67 105.19 107.16 2j01 n GLY 26 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2j01 n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2j01 h LEU 27 N 0.00 0.00 -1.86 0.99 3.38 -1.95 0.92 115.31 116.78 2j01 h LEU 27 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 2j01 h LEU 27 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2j01 h LEU 27 CO 0.00 0.00 0.69 0.03 0.09 0.00 0.00 178.44 179.25 2j01 h ARG 28 N 0.00 0.00 -0.19 1.13 3.08 -1.85 0.33 114.38 116.88 2j01 h ARG 28 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2j01 h ARG 28 Cb 0.66 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.48 2j01 h ARG 28 CO 0.00 0.00 -0.77 -1.13 -1.07 0.00 0.00 179.97 177.00 2j01 n SER 29 N -3.87 2.12 0.00 7.04 3.41 0.32 -2.95 113.62 119.69 2j01 n SER 29 Ca 0.16 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 2j01 n SER 29 Cb 0.97 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2j01 n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2j01 n LYS 30 N -0.56 0.00 -3.88 4.33 4.76 0.90 -4.87 118.16 118.83 2j01 n LYS 30 Ca 0.19 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.28 2j01 n LYS 30 Cb 0.88 -0.05 -0.14 0.00 -1.84 0.00 0.00 35.03 33.88 2j01 n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2j01 s SER 31 N 0.00 4.54 0.13 4.39 0.15 0.33 -4.95 113.70 118.30 2j01 s SER 31 Ca 0.00 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 56.04 2j01 s SER 31 Cb 0.00 -1.76 0.03 0.00 -1.71 0.00 0.00 66.02 62.58 2j01 s SER 31 CO 0.00 -0.10 0.64 2.22 1.20 0.00 0.00 173.24 177.21 2j01 n PHE 32 N 4.78 0.02 0.00 3.44 -1.74 -1.26 0.03 117.46 122.73 2j01 n PHE 32 Ca -0.17 0.01 0.00 0.00 -0.56 0.00 0.00 57.45 56.73 2j01 n PHE 32 Cb 0.49 -0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.44 2j01 n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2j01 n ARG 33 N -1.33 0.97 -0.20 3.97 1.85 -1.26 -4.27 116.66 116.39 2j01 n ARG 33 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.86 2j01 n ARG 33 Cb 0.56 -0.68 0.26 0.00 -1.05 0.00 0.00 32.46 31.55 2j01 n ARG 33 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2j01 h LYS 34 N 0.00 0.96 0.66 2.89 1.79 -1.23 -1.51 116.57 120.13 2j01 h LYS 34 Ca 0.00 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 2j01 h LYS 34 Cb 0.35 -0.22 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2j01 h LYS 34 CO 0.00 0.64 -0.32 0.00 -1.08 0.00 0.00 179.45 178.69 2j01 h ALA 35 N 1.54 -1.22 -0.06 3.86 0.00 -0.28 -2.89 119.26 120.22 2j01 h ALA 35 Ca 0.27 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2j01 h ALA 35 Cb -0.11 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2j01 h ALA 35 CO -0.06 -1.15 -0.03 -2.13 0.00 0.00 0.00 179.25 175.88 2j01 n ARG 36 N -4.43 -0.02 -0.31 0.00 0.63 -0.85 0.47 116.66 112.14 2j01 n ARG 36 Ca -0.11 0.79 0.21 0.00 -0.92 0.00 0.00 57.85 57.82 2j01 n ARG 36 Cb 0.35 -1.19 0.39 0.00 0.45 0.00 0.00 32.46 32.47 2j01 n ARG 36 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2j01 n GLU 37 N -2.92 -0.07 0.40 -0.14 1.02 -0.63 -0.25 120.64 118.05 2j01 n GLU 37 Ca 0.00 1.35 -0.16 0.00 -0.02 0.00 0.00 57.16 58.33 2j01 n GLU 37 Cb 0.01 -2.26 -0.08 0.00 -0.02 0.00 0.00 31.44 29.10 2j01 n GLU 37 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2j01 h THR 38 N 0.00 0.00 -0.05 2.62 2.02 0.24 -2.67 112.91 115.07 2j01 h THR 38 Ca 0.66 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.63 2j01 h THR 38 Cb 1.56 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2j01 h THR 38 CO -0.81 0.00 0.71 -0.07 0.37 0.00 0.00 175.52 175.72 2j01 h LEU 39 N -1.27 0.00 0.19 2.58 3.38 0.86 0.57 115.31 121.62 2j01 h LEU 39 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2j01 h LEU 39 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2j01 h LEU 39 CO 0.18 0.00 -0.09 -0.26 0.09 0.00 0.00 178.44 178.35 2j01 h PHE 40 N 0.00 -0.24 0.00 1.13 0.05 -0.92 -1.03 116.94 115.94 2j01 h PHE 40 Ca 0.02 -0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.84 2j01 h PHE 40 Cb 1.45 0.08 -0.04 0.00 2.00 0.00 0.00 35.95 39.44 2j01 h PHE 40 CO 0.00 0.15 -0.21 0.00 -0.18 0.00 0.00 178.31 178.07 2j01 h ALA 41 N -0.45 -0.26 -1.38 2.45 0.00 0.08 0.87 119.26 120.56 2j01 h ALA 41 Ca -0.03 0.00 0.40 0.00 0.00 0.00 0.00 54.91 55.29 2j01 h ALA 41 Cb 0.50 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2j01 h ALA 41 CO 0.04 -0.70 0.98 0.00 0.00 0.00 0.00 179.25 179.58 2j01 h ALA 42 N 0.55 3.22 -2.56 0.00 0.00 -0.97 0.15 119.26 119.67 2j01 h ALA 42 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2j01 h ALA 42 Cb 0.41 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2j01 h ALA 42 CO -0.19 -1.64 0.00 0.41 0.00 0.00 0.00 179.25 177.83 2j01 n GLY 43 N -1.77 -2.97 0.27 0.00 0.00 0.30 -2.33 105.19 98.68 2j01 n GLY 43 Ca 0.31 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.44 2j01 n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2j01 h ASN 44 N 0.00 0.45 -0.81 1.61 2.35 -1.27 -2.37 115.58 115.54 2j01 h ASN 44 Ca 0.00 0.06 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 2j01 h ASN 44 Cb 0.00 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.25 2j01 h ASN 44 CO 0.00 0.25 -0.54 1.88 -1.65 0.00 0.00 177.43 177.37 2j01 h TYR 45 N 0.59 -1.73 0.46 1.19 0.99 -1.02 1.96 116.97 119.41 2j01 h TYR 45 Ca 0.35 0.11 -0.01 0.00 2.00 0.00 0.00 58.73 61.18 2j01 h TYR 45 Cb 0.38 0.86 -0.02 0.00 1.00 0.00 0.00 36.73 38.96 2j01 h TYR 45 CO -0.11 -0.37 -0.43 0.00 -0.00 0.00 0.00 178.16 177.25 2j01 h ALA 46 N 0.28 -1.11 -0.59 3.88 0.00 -1.06 0.03 119.26 120.69 2j01 h ALA 46 Ca 0.13 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.99 2j01 h ALA 46 Cb 0.42 0.64 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 2j01 h ALA 46 CO -0.81 -1.13 -0.23 -0.92 0.00 0.00 0.00 179.25 176.17 2j01 h TYR 47 N -0.88 -0.56 -0.49 0.00 3.20 -0.54 0.24 116.97 117.94 2j01 h TYR 47 Ca -0.06 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2j01 h TYR 47 Cb 0.75 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 2j01 h TYR 47 CO -0.20 -0.32 0.26 0.00 -1.64 0.00 0.00 178.16 176.26 2j01 h ALA 48 N 1.35 1.54 -0.09 1.82 0.00 0.32 -3.02 119.26 121.18 2j01 h ALA 48 Ca 0.27 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2j01 h ALA 48 Cb 0.50 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2j01 h ALA 48 CO -0.64 0.38 -0.49 0.45 0.00 0.00 0.00 179.25 178.95 2j01 h HIS 49 N 0.68 0.67 -0.67 0.00 3.86 0.13 -2.52 115.15 117.31 2j01 h HIS 49 Ca 0.17 -0.30 0.19 0.00 -1.16 0.00 0.00 60.37 59.28 2j01 h HIS 49 Cb 0.03 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 2j01 h HIS 49 CO 0.00 1.08 0.55 0.00 0.86 0.00 0.00 177.93 180.42 2j01 h ARG 50 N 0.07 0.00 -0.05 2.45 3.08 -0.54 1.38 114.38 120.77 2j01 h ARG 50 Ca -0.04 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 2j01 h ARG 50 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2j01 h ARG 50 CO 0.10 0.00 -0.84 0.87 -1.07 0.00 0.00 179.97 179.03 2j01 h LYS 51 N 0.00 0.46 0.27 0.04 1.79 -1.47 -3.21 116.57 114.44 2j01 h LYS 51 Ca 0.32 -0.43 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2j01 h LYS 51 Cb 1.40 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 2j01 h LYS 51 CO -0.00 1.07 -0.13 0.00 -1.08 0.00 0.00 179.45 179.31 2j01 h ARG 52 N 0.29 -0.35 -0.90 3.15 2.47 0.19 -3.31 114.38 115.92 2j01 h ARG 52 Ca -0.06 0.02 0.23 0.00 -1.26 0.00 0.00 59.98 58.92 2j01 h ARG 52 Cb 1.45 0.08 -0.17 0.00 -1.65 0.00 0.00 29.97 29.68 2j01 h ARG 52 CO 0.15 -0.05 -0.04 -2.13 0.56 0.00 0.00 179.97 178.46 2j01 n ARG 53 N -5.02 -0.07 0.04 0.04 0.63 0.25 0.10 116.66 112.63 2j01 n ARG 53 Ca -0.07 1.36 -0.05 0.00 -0.92 0.00 0.00 57.85 58.17 2j01 n ARG 53 Cb 0.23 -2.13 -0.03 0.00 0.45 0.00 0.00 32.46 30.99 2j01 n ARG 53 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2j01 h LYS 54 N 0.00 -0.22 0.00 -0.14 1.57 -1.64 0.11 116.57 116.26 2j01 h LYS 54 Ca 0.52 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2j01 h LYS 54 Cb 1.01 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2j01 h LYS 54 CO -0.86 -0.14 0.00 2.89 -0.57 0.00 0.00 179.45 180.76 2j01 n ARG 55 N -3.30 0.51 0.00 3.15 1.85 0.29 -2.46 116.66 116.69 2j01 n ARG 55 Ca -0.03 0.01 -0.11 0.00 -1.00 0.00 0.00 57.85 56.72 2j01 n ARG 55 Cb 0.12 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 29.94 2j01 n ARG 55 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 2j01 h ASP 56 N 0.00 -0.09 0.43 2.89 1.82 0.33 -3.23 116.42 118.57 2j01 h ASP 56 Ca 0.00 -0.52 -0.10 0.00 -0.39 0.00 0.00 57.03 56.02 2j01 h ASP 56 Cb 0.01 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 2j01 h ASP 56 CO 0.00 0.55 -0.46 -0.26 -1.61 0.00 0.00 179.24 177.46 2j01 h PHE 57 N -0.82 0.04 -0.31 0.28 -1.00 -1.02 -0.81 116.94 113.31 2j01 h PHE 57 Ca -0.01 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.79 2j01 h PHE 57 Cb 0.60 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.11 2j01 h PHE 57 CO 0.13 0.49 -0.26 0.00 -1.61 0.00 0.00 178.31 177.06 2j01 h ARG 58 N 0.03 -0.09 0.33 1.51 3.08 -1.57 0.13 114.38 117.81 2j01 h ARG 58 Ca -0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2j01 h ARG 58 Cb 0.83 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2j01 h ARG 58 CO 0.06 -0.06 -0.29 0.00 -1.07 0.00 0.00 179.97 178.60 2j01 h ARG 59 N -0.10 -0.62 -1.09 0.04 3.08 -1.55 -2.22 114.38 111.93 2j01 h ARG 59 Ca 0.05 0.04 0.32 0.00 0.07 0.00 0.00 59.98 60.46 2j01 h ARG 59 Cb 0.23 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 2j01 h ARG 59 CO -0.34 -0.41 1.17 -0.07 -1.07 0.00 0.00 179.97 179.24 2j01 h LEU 60 N -0.64 0.00 0.00 3.04 3.38 -0.01 -0.12 115.31 120.95 2j01 h LEU 60 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2j01 h LEU 60 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2j01 h LEU 60 CO -0.04 0.00 -0.77 -0.50 0.09 0.00 0.00 178.44 177.22 2j01 h TRP 61 N 0.00 0.00 -0.74 1.13 6.55 -0.17 -3.37 115.95 119.34 2j01 h TRP 61 Ca 0.52 0.00 0.15 0.00 0.95 0.00 0.00 58.89 60.50 2j01 h TRP 61 Cb 2.85 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 31.01 2j01 h TRP 61 CO 0.00 0.64 -0.19 -0.89 -1.05 0.00 0.00 178.44 176.95 2j01 n ILE 62 N -4.55 -0.32 -0.11 1.49 -0.00 -0.09 0.18 119.36 115.97 2j01 n ILE 62 Ca -0.17 1.71 -0.12 0.00 -0.00 0.00 0.00 62.75 64.16 2j01 n ILE 62 Cb 0.43 -2.35 -0.08 0.00 -0.00 0.00 0.00 39.64 37.64 2j01 n ILE 62 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 2j01 h VAL 63 N 0.00 0.05 0.04 1.39 2.07 -1.67 0.43 116.25 118.56 2j01 h VAL 63 Ca 0.35 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.88 2j01 h VAL 63 Cb 0.54 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2j01 h VAL 63 CO -0.76 0.00 -0.23 0.03 0.02 0.00 0.00 177.57 176.63 2j01 h ARG 64 N -0.40 -0.30 -0.24 1.57 2.47 0.18 2.06 114.38 119.73 2j01 h ARG 64 Ca 0.10 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.86 2j01 h ARG 64 Cb 0.61 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 2j01 h ARG 64 CO -0.56 -0.20 -0.14 -0.89 0.56 0.00 0.00 179.97 178.73 2j01 n ILE 65 N -3.73 -0.16 0.06 2.04 5.41 -0.50 0.67 119.36 123.15 2j01 n ILE 65 Ca -0.04 1.59 -0.05 0.00 1.00 0.00 0.00 62.75 65.25 2j01 n ILE 65 Cb 0.17 -2.06 -0.03 0.00 -0.71 0.00 0.00 39.64 37.01 2j01 n ILE 65 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2j01 h ASN 66 N 0.00 -0.48 0.00 4.38 -1.24 0.21 0.39 115.58 118.84 2j01 h ASN 66 Ca 0.04 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2j01 h ASN 66 Cb 0.10 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2j01 h ASN 66 CO -0.23 -0.19 0.00 0.00 -1.29 0.00 0.00 177.43 175.72 2j01 n ALA 67 N -2.53 1.32 0.00 1.57 0.00 0.70 -1.01 120.51 120.56 2j01 n ALA 67 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2j01 n ALA 67 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2j01 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j01 n ALA 68 N 0.05 2.99 1.33 0.00 0.00 0.21 -4.67 120.51 120.43 2j01 n ALA 68 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2j01 n ALA 68 Cb 0.01 0.49 0.11 0.00 0.00 0.00 0.00 19.45 20.06 2j01 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j01 h ARG 70 N 1.24 0.00 0.00 0.00 2.43 -1.17 -3.13 114.38 113.75 2j01 h ARG 70 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2j01 h ARG 70 Cb 0.28 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2j01 h ARG 70 CO 0.00 0.13 -0.06 0.37 -1.51 0.00 0.00 179.97 178.90 2j01 h GLN 71 N 0.00 0.00 -0.90 0.20 4.15 -1.78 -2.45 115.11 114.33 2j01 h GLN 71 Ca -0.03 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.89 2j01 h GLN 71 Cb 1.16 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 28.57 2j01 h GLN 71 CO 0.02 0.06 0.55 0.72 -1.93 0.00 0.00 178.83 178.24 2j01 n HIS 72 N -3.20 2.81 -3.61 3.99 8.25 -1.21 -4.94 115.22 117.31 2j01 n HIS 72 Ca 0.00 -2.05 -0.21 0.00 -0.26 0.00 0.00 57.72 55.20 2j01 n HIS 72 Cb 0.31 -0.96 0.06 0.00 1.12 0.00 0.00 29.99 30.51 2j01 n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j01 n GLY 73 N -1.09 -0.36 3.44 -1.41 0.00 -0.92 -5.02 105.19 99.81 2j01 n GLY 73 Ca 0.56 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.56 2j01 n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2j01 s LEU 74 N -6.69 -0.22 0.32 0.99 0.05 -1.19 -5.06 118.68 106.88 2j01 s LEU 74 Ca 0.13 0.51 -0.27 0.00 0.05 0.00 0.00 54.13 54.55 2j01 s LEU 74 Cb -0.06 2.17 -0.09 0.00 -2.05 0.00 0.00 46.19 46.16 2j01 s LEU 74 CO 0.77 -0.58 1.01 0.20 -0.55 0.00 0.00 176.35 177.21 2j01 s ASN 75 N -1.29 7.23 0.36 1.48 0.01 -1.26 -3.81 114.94 117.66 2j01 s ASN 75 Ca -0.11 2.02 0.07 0.00 -0.71 0.00 0.00 52.86 54.13 2j01 s ASN 75 Cb -0.01 -2.60 0.77 0.00 0.41 0.00 0.00 41.25 39.82 2j01 s ASN 75 CO 0.08 -0.15 1.94 0.22 -1.51 0.00 0.00 177.10 177.68 2j01 h TYR 76 N 3.35 0.75 0.15 2.20 3.20 -1.90 0.84 116.97 125.57 2j01 h TYR 76 Ca -0.47 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 2j01 h TYR 76 Cb 1.20 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 2j01 h TYR 76 CO 0.60 0.38 -0.12 0.66 -1.64 0.00 0.00 178.16 178.03 2j01 h SER 77 N 0.73 -0.32 -0.29 -2.11 4.64 -2.00 -0.35 113.55 113.85 2j01 h SER 77 Ca 0.33 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.73 2j01 h SER 77 Cb 0.36 0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 62.47 2j01 h SER 77 CO -0.12 -0.17 -0.47 0.74 -0.87 0.00 0.00 176.83 175.94 2j01 h THR 78 N -0.26 0.08 0.00 2.95 2.02 -1.71 -2.58 112.91 113.40 2j01 h THR 78 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2j01 h THR 78 Cb 0.22 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2j01 h THR 78 CO 0.00 0.00 0.00 0.33 0.37 0.00 0.00 175.52 176.22 2j01 n PHE 79 N -5.42 0.00 -0.22 3.16 -0.00 0.28 -0.22 117.46 115.05 2j01 n PHE 79 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.33 2j01 n PHE 79 Cb 0.36 -0.32 -0.07 0.00 -0.00 0.00 0.00 39.48 39.44 2j01 n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2j01 h ILE 80 N 0.00 0.00 -0.87 -2.13 1.08 -0.83 0.25 117.51 115.01 2j01 h ILE 80 Ca 0.00 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.70 2j01 h ILE 80 Cb 0.00 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.61 2j01 h ILE 80 CO 0.00 0.00 0.23 -0.74 -0.69 0.00 0.00 178.15 176.95 2j01 h HIS 81 N -0.13 0.34 0.00 1.37 2.76 -0.95 2.02 115.15 120.56 2j01 h HIS 81 Ca 0.09 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2j01 h HIS 81 Cb 0.37 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2j01 h HIS 81 CO -0.88 -0.21 0.23 0.78 -1.30 0.00 0.00 177.93 176.56 2j01 h GLY 82 N 0.21 0.00 0.00 5.26 0.00 0.28 -2.08 103.07 106.74 2j01 h GLY 82 Ca 0.54 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.60 2j01 h GLY 82 CO -0.65 0.00 -1.82 1.04 0.00 0.00 0.00 176.54 175.11 2j01 n LEU 83 N -2.56 1.93 -0.21 3.11 4.32 0.68 -3.92 117.00 120.34 2j01 n LEU 83 Ca -0.02 0.37 -0.01 0.00 -0.02 0.00 0.00 56.01 56.33 2j01 n LEU 83 Cb 0.27 -0.82 0.05 0.00 -1.62 0.00 0.00 43.42 41.30 2j01 n LEU 83 CO 0.11 0.24 0.71 0.50 -1.22 0.00 0.00 177.39 177.73 2j01 h LYS 84 N -1.00 -0.04 0.00 3.23 1.63 -0.77 1.15 116.57 120.77 2j01 h LYS 84 Ca -0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 2j01 h LYS 84 Cb 1.33 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2j01 h LYS 84 CO -0.25 -0.03 0.00 1.17 -3.45 0.00 0.00 179.45 176.89 2j01 n LYS 85 N -5.44 0.78 -0.08 1.90 4.81 -0.83 -3.17 118.16 116.13 2j01 n LYS 85 Ca 0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.37 2j01 n LYS 85 Cb 0.34 -1.43 -0.07 0.00 0.02 0.00 0.00 35.03 33.90 2j01 n LYS 85 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2j01 n ALA 86 N -0.93 1.76 0.00 3.14 0.00 0.31 -5.02 120.51 119.77 2j01 n ALA 86 Ca 0.16 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2j01 n ALA 86 Cb 0.07 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2j01 n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j01 n GLY 87 N 2.42 3.00 0.00 0.00 0.00 0.32 -5.07 105.19 105.86 2j01 n GLY 87 Ca -0.30 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2j01 n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2j01 n ILE 88 N 0.51 0.00 0.25 -0.61 -6.64 -1.26 -4.91 119.36 106.70 2j01 n ILE 88 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2j01 n ILE 88 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 2j01 n ILE 88 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2j01 n GLU 89 N 0.00 0.25 0.00 6.28 4.71 -1.26 -4.56 120.64 126.06 2j01 n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2j01 n GLU 89 Cb 0.00 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 2j01 n GLU 89 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2j01 n VAL 90 N 0.63 0.00 0.00 2.62 0.31 -1.26 -4.75 118.33 115.88 2j01 n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2j01 n VAL 90 Cb 0.09 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 2j01 n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2j01 n ASP 91 N 0.00 0.00 -2.63 4.52 4.64 -1.26 -4.64 116.55 117.17 2j01 n ASP 91 Ca 0.00 0.00 -0.01 0.00 -1.38 0.00 0.00 54.79 53.40 2j01 n ASP 91 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.07 2j01 n ASP 91 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2j01 n ARG 92 N 0.00 -2.39 -0.19 -0.67 0.63 -1.26 -1.08 116.66 111.69 2j01 n ARG 92 Ca 0.00 1.89 0.14 0.00 -0.92 0.00 0.00 57.85 58.96 2j01 n ARG 92 Cb 0.00 -2.35 0.22 0.00 0.45 0.00 0.00 32.46 30.78 2j01 n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2j01 n LYS 93 N 2.13 -0.00 0.13 -0.14 4.01 -1.26 0.36 118.16 123.38 2j01 n LYS 93 Ca -0.11 0.32 -0.08 0.00 -0.51 0.00 0.00 58.31 57.93 2j01 n LYS 93 Cb 0.17 -0.71 -0.04 0.00 -0.51 0.00 0.00 35.03 33.94 2j01 n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2j01 h ASN 94 N 0.00 -0.34 0.00 4.39 -1.24 -1.94 -3.24 115.58 113.21 2j01 h ASN 94 Ca 0.26 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.22 2j01 h ASN 94 Cb 1.01 0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.14 2j01 h ASN 94 CO -0.03 0.13 0.00 0.18 -1.29 0.00 0.00 177.43 176.41 2j01 n LEU 95 N -5.04 0.00 -1.79 0.34 4.77 1.13 -2.35 117.00 114.06 2j01 n LEU 95 Ca -0.06 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2j01 n LEU 95 Cb 0.19 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2j01 n LEU 95 CO 0.15 -0.14 1.24 0.00 -1.33 0.00 0.00 177.39 177.32 2j01 n ALA 96 N -1.14 4.94 1.12 -1.18 0.00 -0.55 -2.82 120.51 120.89 2j01 n ALA 96 Ca 0.00 -0.86 0.12 0.00 0.00 0.00 0.00 53.44 52.70 2j01 n ALA 96 Cb 0.00 -1.70 0.21 0.00 0.00 0.00 0.00 19.45 17.97 2j01 n ALA 96 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2j01 n ASP 97 N 2.04 1.15 -0.09 0.00 4.64 -0.99 -3.68 116.55 119.61 2j01 n ASP 97 Ca 0.20 -0.92 -0.10 0.00 -1.38 0.00 0.00 54.79 52.60 2j01 n ASP 97 Cb 0.67 0.33 0.05 0.00 -1.04 0.00 0.00 41.12 41.12 2j01 n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2j01 h LEU 98 N 1.12 0.85 -1.61 -2.67 3.38 -1.67 -1.40 115.31 113.30 2j01 h LEU 98 Ca 0.00 -0.34 0.16 0.00 0.09 0.00 0.00 57.88 57.79 2j01 h LEU 98 Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2j01 h LEU 98 CO 0.00 1.08 0.69 0.00 0.09 0.00 0.00 178.44 180.31 2j01 h ALA 99 N 0.97 2.29 -3.00 1.53 0.00 -1.82 -3.03 119.26 116.19 2j01 h ALA 99 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2j01 h ALA 99 Cb 0.84 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2j01 h ALA 99 CO 0.07 -0.97 0.00 0.28 0.00 0.00 0.00 179.25 178.63 2j01 n VAL 100 N -3.42 0.00 -1.90 0.00 0.31 -0.86 -4.56 118.33 107.90 2j01 n VAL 100 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.02 2j01 n VAL 100 Cb 0.89 -0.87 -0.02 0.00 -0.91 0.00 0.00 33.84 32.93 2j01 n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2j01 s ARG 101 N 0.00 4.20 -0.75 5.55 0.52 -0.59 -3.38 118.95 124.50 2j01 s ARG 101 Ca 0.00 2.43 -0.06 0.00 -0.52 0.00 0.00 55.73 57.59 2j01 s ARG 101 Cb 0.00 -3.07 0.01 0.00 0.52 0.00 0.00 34.95 32.41 2j01 s ARG 101 CO 0.00 -0.53 0.63 -0.85 0.02 0.00 0.00 175.30 174.57 2j01 n GLU 102 N 2.31 -1.59 0.11 3.54 0.00 -1.26 -4.10 120.64 119.66 2j01 n GLU 102 Ca 0.08 1.00 0.11 0.00 0.00 0.00 0.00 57.16 58.34 2j01 n GLU 102 Cb 0.39 -2.87 0.46 0.00 0.00 0.00 0.00 31.44 29.43 2j01 n GLU 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2j01 n PRO 103 N -2.10 0.15 0.08 3.44 -0.04 -1.15 -2.22 135.00 133.17 2j01 n PRO 103 Ca -0.23 0.43 -0.07 0.00 -0.04 0.00 0.00 63.50 63.59 2j01 n PRO 103 Cb 0.66 -1.82 0.07 0.00 -0.04 0.00 0.00 33.50 32.36 2j01 n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2j01 h GLN 104 N 0.00 0.27 -0.90 0.54 4.20 -1.89 -0.68 115.11 116.64 2j01 h GLN 104 Ca 0.00 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.50 2j01 h GLN 104 Cb 0.29 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 2j01 h GLN 104 CO 0.00 0.86 0.59 0.28 -0.67 0.00 0.00 178.83 179.89 2j01 h VAL 105 N 0.18 1.24 0.15 -0.54 2.07 -1.77 -2.45 116.25 115.14 2j01 h VAL 105 Ca -0.02 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2j01 h VAL 105 Cb 1.25 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2j01 h VAL 105 CO 0.11 0.23 -0.07 0.15 0.02 0.00 0.00 177.57 178.01 2j01 h PHE 106 N 1.23 -0.19 -0.81 1.57 3.57 -1.57 -3.23 116.94 117.52 2j01 h PHE 106 Ca 0.33 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.90 2j01 h PHE 106 Cb -0.12 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 38.58 2j01 h PHE 106 CO 0.00 0.19 -0.48 0.00 -2.23 0.00 0.00 178.31 175.79 2j01 n ALA 107 N -2.40 -0.52 -0.32 2.41 0.00 -0.29 0.11 120.51 119.50 2j01 n ALA 107 Ca -0.09 0.69 0.14 0.00 0.00 0.00 0.00 53.44 54.18 2j01 n ALA 107 Cb 0.24 -0.05 0.33 0.00 0.00 0.00 0.00 19.45 19.97 2j01 n ALA 107 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2j01 h GLU 108 N 0.00 0.46 0.02 0.00 5.08 -1.58 0.18 114.58 118.74 2j01 h GLU 108 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2j01 h GLU 108 Cb 0.33 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2j01 h GLU 108 CO -0.76 0.30 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.46 2j01 h LEU 109 N 0.47 -0.06 0.24 1.33 3.38 0.78 1.10 115.31 122.55 2j01 h LEU 109 Ca 0.58 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.56 2j01 h LEU 109 Cb 1.09 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2j01 h LEU 109 CO -0.50 -0.04 -0.38 0.58 0.09 0.00 0.00 178.44 178.19 2j01 h VAL 110 N -0.05 0.00 -0.96 1.22 2.07 0.12 2.28 116.25 120.94 2j01 h VAL 110 Ca 0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.73 2j01 h VAL 110 Cb 0.05 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.74 2j01 h VAL 110 CO -0.01 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 177.86 2j01 h GLU 111 N -0.65 0.51 -0.69 1.57 4.39 -1.11 1.53 114.58 120.13 2j01 h GLU 111 Ca -0.03 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2j01 h GLU 111 Cb 0.60 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2j01 h GLU 111 CO -0.12 0.34 0.36 -0.09 -1.16 0.00 0.00 179.01 178.33 2j01 h ARG 112 N 0.53 0.97 0.00 2.33 1.12 0.44 -2.35 114.38 117.41 2j01 h ARG 112 Ca 0.52 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 59.26 2j01 h ARG 112 Cb 1.12 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.90 2j01 h ARG 112 CO -0.25 0.74 0.00 0.00 -3.11 0.00 0.00 179.97 177.35 2j01 n ALA 113 N -2.35 -0.12 -0.65 2.80 0.00 0.74 -2.60 120.51 118.33 2j01 n ALA 113 Ca 0.05 0.00 0.51 0.00 0.00 0.00 0.00 53.44 54.00 2j01 n ALA 113 Cb 0.11 0.04 0.81 0.00 0.00 0.00 0.00 19.45 20.41 2j01 n ALA 113 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2j01 h LYS 114 N 0.00 0.00 -0.09 0.00 -0.00 -1.26 0.58 116.57 115.80 2j01 h LYS 114 Ca 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.67 2j01 h LYS 114 Cb 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.19 2j01 h LYS 114 CO 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 179.45 179.15 2j01 h ALA 115 N 1.09 -0.67 0.00 0.07 0.00 -1.16 0.21 119.26 118.80 2j01 h ALA 115 Ca 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.77 2j01 h ALA 115 Cb 3.55 0.83 0.00 0.00 0.00 0.00 0.00 17.79 22.18 2j01 h ALA 115 CO -0.03 -0.78 0.53 0.00 0.00 0.00 0.00 179.25 178.97 2j01 h ALA 116 N -0.78 1.44 -1.41 0.00 0.00 -0.88 0.39 119.26 118.02 2j01 h ALA 116 Ca 0.02 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.30 2j01 h ALA 116 Cb 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.77 2j01 h ALA 116 CO -0.25 -0.44 -0.35 1.04 0.00 0.00 0.00 179.25 179.25 2j01 n GLN 117 N -2.28 3.29 0.00 0.00 1.13 0.72 -4.99 117.38 115.24 2j01 n GLN 117 Ca -0.01 -4.30 0.14 0.00 -1.94 0.00 0.00 57.00 50.90 2j01 n GLN 117 Cb 0.55 -2.25 0.58 0.00 0.11 0.00 0.00 30.24 29.23 2j01 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03