#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ec2 s GLU 2 N 0.00 3.23 -0.21 3.17 4.04 -1.26 -5.09 118.70 122.58 2ec2 s GLU 2 Ca 0.00 -0.33 -0.06 0.00 0.04 0.00 0.00 54.97 54.63 2ec2 s GLU 2 Cb 0.00 -2.95 -0.03 0.00 0.02 0.00 0.00 34.13 31.17 2ec2 s GLU 2 CO 0.00 0.67 0.02 0.71 -1.84 0.00 0.00 175.26 174.81 2ec2 s TYR 3 N -0.75 3.07 0.69 4.83 2.02 -1.26 -4.94 117.35 121.00 2ec2 s TYR 3 Ca 0.12 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.31 2ec2 s TYR 3 Cb -0.12 -2.11 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2ec2 s TYR 3 CO 0.03 -0.23 1.08 0.15 -1.57 0.00 0.00 175.55 175.01 2ec2 s LYS 4 N 1.05 2.98 -0.30 -0.62 3.01 -1.00 -4.90 119.74 119.96 2ec2 s LYS 4 Ca 0.03 0.53 -0.11 0.00 -1.01 0.00 0.00 55.97 55.40 2ec2 s LYS 4 Cb -0.14 -2.03 0.18 0.00 -1.01 0.00 0.00 37.83 34.82 2ec2 s LYS 4 CO 0.02 -0.96 0.94 -1.54 0.51 0.00 0.00 175.35 174.32 2ec2 s SER 5 N -4.30 -0.67 0.86 2.83 1.04 -1.26 -0.74 113.70 111.45 2ec2 s SER 5 Ca 0.58 0.53 -0.12 0.00 0.48 0.00 0.00 55.95 57.42 2ec2 s SER 5 Cb -0.11 1.61 0.11 0.00 0.10 0.00 0.00 66.02 67.73 2ec2 s SER 5 CO 0.52 -0.13 1.13 0.28 0.98 0.00 0.00 173.24 176.03 2ec2 s THR 6 N 2.82 2.34 0.34 2.02 -1.32 -0.93 -4.93 115.64 115.98 2ec2 s THR 6 Ca 0.03 0.11 0.31 0.00 -1.21 0.00 0.00 61.69 60.93 2ec2 s THR 6 Cb -0.10 -2.89 0.33 0.00 -1.51 0.00 0.00 72.50 68.33 2ec2 s THR 6 CO -0.15 -0.14 2.07 0.03 -2.21 0.00 0.00 174.62 174.22 2ec2 h ARG 7 N -1.32 0.00 -0.31 7.08 3.08 -2.04 -1.24 114.38 119.63 2ec2 h ARG 7 Ca -0.49 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.59 2ec2 h ARG 7 Cb 1.31 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.33 2ec2 h ARG 7 CO 0.62 0.09 -0.18 0.72 -1.07 0.00 0.00 179.97 180.14 2ec2 n HIS 8 N -3.38 -0.14 -3.62 3.04 8.25 -1.26 -4.91 115.22 113.20 2ec2 n HIS 8 Ca -0.01 0.39 -0.14 0.00 -0.26 0.00 0.00 57.72 57.70 2ec2 n HIS 8 Cb 0.25 -0.50 -0.07 0.00 1.12 0.00 0.00 29.99 30.79 2ec2 n HIS 8 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ec2 s ALA 9 N -4.44 -1.81 -0.37 -1.41 0.00 -0.47 -5.12 121.76 108.14 2ec2 s ALA 9 Ca -0.04 1.93 -0.18 0.00 0.00 0.00 0.00 51.96 53.67 2ec2 s ALA 9 Cb 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2ec2 s ALA 9 CO 0.19 -0.33 0.48 0.21 0.00 0.00 0.00 175.76 176.32 2ec2 s LYS 10 N 0.17 3.49 0.18 0.00 2.20 -1.26 -2.19 119.74 122.34 2ec2 s LYS 10 Ca -0.01 -0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 2ec2 s LYS 10 Cb -0.04 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 2ec2 s LYS 10 CO 0.01 -0.69 -0.03 1.52 -0.36 0.00 0.00 175.35 175.81 2ec2 s TYR 11 N 2.31 1.31 -0.29 4.03 -0.85 0.08 -4.99 117.35 118.95 2ec2 s TYR 11 Ca 0.16 -0.93 0.02 0.00 -0.52 0.00 0.00 57.07 55.81 2ec2 s TYR 11 Cb -0.16 -0.74 0.19 0.00 0.38 0.00 0.00 41.96 41.63 2ec2 s TYR 11 CO 0.13 -0.09 0.56 -1.17 -1.52 0.00 0.00 175.55 173.46 2ec2 s LEU 12 N -3.21 -1.39 -0.31 -3.49 2.96 -1.26 -2.38 118.68 109.60 2ec2 s LEU 12 Ca 0.23 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.55 2ec2 s LEU 12 Cb 0.05 1.92 0.09 0.00 0.50 0.00 0.00 46.19 48.75 2ec2 s LEU 12 CO 0.04 -0.29 0.02 0.00 -1.32 0.00 0.00 176.35 174.80 2ec2 s ASN 14 N 1.05 4.76 0.01 0.00 0.01 -1.26 -1.84 114.94 117.66 2ec2 s ASN 14 Ca 0.06 -0.26 0.07 0.00 -0.71 0.00 0.00 52.86 52.01 2ec2 s ASN 14 Cb -0.19 -1.83 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 2ec2 s ASN 14 CO -0.09 0.01 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.00 2ec2 s TYR 15 N 1.32 2.52 -0.26 2.20 1.51 -0.08 -1.87 117.35 122.68 2ec2 s TYR 15 Ca 0.04 -0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 55.72 2ec2 s TYR 15 Cb -0.15 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 2ec2 s TYR 15 CO 0.01 0.16 0.15 -1.01 -1.11 0.00 0.00 175.55 173.75 2ec2 s HIS 16 N -0.80 3.20 0.01 2.71 3.76 0.39 -1.38 115.29 123.17 2ec2 s HIS 16 Ca 0.13 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 55.02 2ec2 s HIS 16 Cb -0.10 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 2ec2 s HIS 16 CO 0.02 -0.17 0.06 -0.06 -0.85 0.00 0.00 174.74 173.75 2ec2 s PHE 17 N 1.55 3.23 -0.22 1.40 0.40 -0.11 -1.46 117.98 122.77 2ec2 s PHE 17 Ca 0.07 0.16 -0.10 0.00 -0.60 0.00 0.00 56.93 56.46 2ec2 s PHE 17 Cb -0.15 -1.71 0.08 0.00 0.51 0.00 0.00 43.02 41.75 2ec2 s PHE 17 CO 0.08 0.53 0.50 0.08 0.70 0.00 0.00 175.22 177.10 2ec2 s VAL 18 N -1.20 -0.34 0.21 -0.44 1.01 0.27 -0.51 120.40 119.40 2ec2 s VAL 18 Ca 0.23 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 2ec2 s VAL 18 Cb -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2ec2 s VAL 18 CO 0.14 0.04 0.54 -1.66 0.00 0.00 0.00 175.10 174.16 2ec2 s TRP 19 N 2.01 -0.06 0.17 5.22 -2.14 -0.78 -0.09 118.94 123.27 2ec2 s TRP 19 Ca -0.07 -0.30 0.09 0.00 2.66 0.00 0.00 56.10 58.48 2ec2 s TRP 19 Cb -0.09 0.40 -0.04 0.00 -3.10 0.00 0.00 33.47 30.63 2ec2 s TRP 19 CO -0.15 -0.97 -0.20 0.96 -2.66 0.00 0.00 176.95 173.94 2ec2 s ILE 20 N -3.90 1.93 0.64 0.66 -4.36 -1.26 -0.02 121.20 114.88 2ec2 s ILE 20 Ca 0.11 -1.91 -0.13 0.00 -0.26 0.00 0.00 60.65 58.46 2ec2 s ILE 20 Cb -0.02 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.80 2ec2 s ILE 20 CO 0.00 -0.25 1.06 -2.84 0.24 0.00 0.00 174.94 173.15 2ec2 s PRO 21 N -2.70 3.13 0.17 0.37 0.02 -1.26 -3.66 135.00 131.08 2ec2 s PRO 21 Ca 0.16 1.09 -0.11 0.00 0.02 0.00 0.00 61.00 62.16 2ec2 s PRO 21 Cb -0.07 -2.01 0.07 0.00 0.02 0.00 0.00 34.50 32.51 2ec2 s PRO 21 CO 0.07 -0.95 1.68 -0.22 -0.33 0.00 0.00 177.00 177.25 2ec2 h LYS 22 N -0.09 0.96 -4.92 5.54 1.63 -1.22 -3.43 116.57 115.04 2ec2 h LYS 22 Ca -0.45 -0.23 -0.65 0.00 -0.85 0.00 0.00 60.65 58.47 2ec2 h LYS 22 Cb 1.22 -0.13 -0.35 0.00 -0.60 0.00 0.00 32.23 32.37 2ec2 h LYS 22 CO 0.57 0.88 -0.85 0.71 -3.45 0.00 0.00 179.45 177.31 2ec2 s TYR 23 N -5.31 2.56 0.00 1.91 1.51 -1.26 -4.95 117.35 111.81 2ec2 s TYR 23 Ca -0.12 -1.50 0.00 0.00 -1.01 0.00 0.00 57.07 54.43 2ec2 s TYR 23 Cb 0.13 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 2ec2 s TYR 23 CO 0.82 -0.76 0.00 0.54 -1.11 0.00 0.00 175.55 175.04 2ec2 n ARG 24 N 4.67 0.00 -2.53 -0.62 1.74 -1.26 -4.34 116.66 114.32 2ec2 n ARG 24 Ca -0.20 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.74 2ec2 n ARG 24 Cb 0.50 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.96 2ec2 n ARG 24 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ec2 n ARG 25 N 0.00 2.34 -2.02 5.56 1.74 -1.26 -4.72 116.66 118.30 2ec2 n ARG 25 Ca 0.00 -3.81 -0.25 0.00 -0.77 0.00 0.00 57.85 53.03 2ec2 n ARG 25 Cb 0.00 -1.78 0.02 0.00 -1.02 0.00 0.00 32.46 29.68 2ec2 n ARG 25 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ec2 n LYS 26 N -0.42 3.58 0.00 5.56 5.02 -1.26 -4.92 118.16 125.72 2ec2 n LYS 26 Ca 0.23 -4.16 0.00 0.00 -2.02 0.00 0.00 58.31 52.36 2ec2 n LYS 26 Cb 0.80 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2ec2 n LYS 26 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2ec2 n VAL 27 N -0.70 0.00 -2.26 -0.18 0.31 -1.26 -5.00 118.33 109.24 2ec2 n VAL 27 Ca 0.44 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.44 2ec2 n VAL 27 Cb 0.94 -0.06 -0.04 0.00 -0.91 0.00 0.00 33.84 33.77 2ec2 n VAL 27 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2ec2 s LEU 28 N -1.83 3.32 -0.20 7.52 1.43 -1.26 -4.64 118.68 123.01 2ec2 s LEU 28 Ca 0.00 -1.32 -0.28 0.00 -1.03 0.00 0.00 54.13 51.50 2ec2 s LEU 28 Cb 0.00 -2.57 0.11 0.00 0.03 0.00 0.00 46.19 43.76 2ec2 s LEU 28 CO 0.00 -2.28 0.92 0.28 0.23 0.00 0.00 176.35 175.50 2ec2 s THR 29 N 8.17 0.00 0.00 5.49 -1.32 -1.26 -3.60 115.64 123.12 2ec2 s THR 29 Ca 0.61 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 2ec2 s THR 29 Cb -0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2ec2 s THR 29 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 2ec2 n GLY 30 N 1.56 1.74 0.30 6.08 0.00 -1.26 -2.73 105.19 110.88 2ec2 n GLY 30 Ca -0.13 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.45 2ec2 n GLY 30 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ec2 h GLU 31 N 0.00 0.29 -0.38 1.61 4.39 -1.99 0.24 114.58 118.74 2ec2 h GLU 31 Ca 0.00 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.76 2ec2 h GLU 31 Cb 0.00 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.50 2ec2 h GLU 31 CO 0.00 0.19 -0.19 0.28 -1.16 0.00 0.00 179.01 178.13 2ec2 h VAL 32 N 0.30 0.44 -0.23 3.13 2.07 -1.87 0.15 116.25 120.24 2ec2 h VAL 32 Ca 0.50 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.08 2ec2 h VAL 32 Cb 0.93 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 2ec2 h VAL 32 CO -0.56 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 176.89 2ec2 h ALA 33 N 1.13 0.03 -0.56 1.67 0.00 -0.35 -2.41 119.26 118.77 2ec2 h ALA 33 Ca 0.19 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2ec2 h ALA 33 Cb 0.41 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2ec2 h ALA 33 CO -0.46 -0.56 0.03 0.93 0.00 0.00 0.00 179.25 179.19 2ec2 h GLU 34 N -0.13 0.97 -0.78 0.00 3.07 -0.47 -2.32 114.58 114.93 2ec2 h GLU 34 Ca 0.13 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2ec2 h GLU 34 Cb 0.32 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.10 2ec2 h GLU 34 CO -0.31 0.96 0.50 -0.92 -1.40 0.00 0.00 179.01 177.84 2ec2 h TYR 35 N 0.86 1.01 -0.60 4.33 3.20 -0.73 0.13 116.97 125.17 2ec2 h TYR 35 Ca 0.16 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.11 2ec2 h TYR 35 Cb 0.50 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 2ec2 h TYR 35 CO 0.04 0.66 0.29 1.15 -1.64 0.00 0.00 178.16 178.65 2ec2 h THR 36 N 1.07 0.89 -0.64 1.81 2.02 -1.29 0.37 112.91 117.14 2ec2 h THR 36 Ca 0.28 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 2ec2 h THR 36 Cb -0.08 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 2ec2 h THR 36 CO -0.06 0.10 0.08 0.11 0.37 0.00 0.00 175.52 176.12 2ec2 h LYS 37 N 0.53 1.07 0.45 6.66 1.57 -0.78 -2.82 116.57 123.25 2ec2 h LYS 37 Ca 0.28 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2ec2 h LYS 37 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2ec2 h LYS 37 CO -0.22 1.00 -0.29 0.93 -0.57 0.00 0.00 179.45 180.30 2ec2 h GLU 38 N 0.98 -0.69 -0.37 3.15 5.08 0.25 -2.89 114.58 120.10 2ec2 h GLU 38 Ca 0.19 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2ec2 h GLU 38 Cb 0.47 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2ec2 h GLU 38 CO 0.02 -0.46 0.16 -0.39 -1.00 0.00 0.00 179.01 177.33 2ec2 h VAL 39 N -0.72 1.18 -0.36 3.13 -1.51 -0.22 -2.58 116.25 115.17 2ec2 h VAL 39 Ca -0.05 -0.54 -0.04 0.00 -1.23 0.00 0.00 66.70 64.84 2ec2 h VAL 39 Cb 0.60 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 2ec2 h VAL 39 CO 0.04 0.20 0.05 -0.07 -1.23 0.00 0.00 177.57 176.55 2ec2 h LEU 40 N 0.45 0.57 -1.64 4.19 3.38 -1.62 0.23 115.31 120.88 2ec2 h LEU 40 Ca 0.12 -0.27 0.32 0.00 0.09 0.00 0.00 57.88 58.15 2ec2 h LEU 40 Cb 0.16 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 2ec2 h LEU 40 CO -0.01 0.70 0.78 -0.09 0.09 0.00 0.00 178.44 179.90 2ec2 h ARG 41 N 0.43 0.19 0.00 1.13 2.43 -1.27 0.31 114.38 117.60 2ec2 h ARG 41 Ca 0.11 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 2ec2 h ARG 41 Cb 0.37 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2ec2 h ARG 41 CO 0.01 0.12 -2.14 0.25 -1.51 0.00 0.00 179.97 176.70 2ec2 n THR 42 N -4.44 0.66 -0.14 0.20 -2.24 -0.70 -3.11 114.28 104.50 2ec2 n THR 42 Ca 0.27 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 61.33 2ec2 n THR 42 Cb 1.11 -0.23 0.01 0.00 -2.10 0.00 0.00 70.33 69.12 2ec2 n THR 42 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2ec2 h ILE 43 N 0.00 1.12 -0.64 2.28 2.04 -0.04 0.75 117.51 123.02 2ec2 h ILE 43 Ca -0.26 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.48 2ec2 h ILE 43 Cb 1.57 0.50 -0.11 0.00 -0.74 0.00 0.00 36.82 38.04 2ec2 h ILE 43 CO 0.01 0.12 0.02 0.00 0.00 0.00 0.00 178.15 178.31 2ec2 h ALA 44 N 1.15 0.65 0.00 1.87 0.00 -0.48 -0.94 119.26 121.51 2ec2 h ALA 44 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2ec2 h ALA 44 Cb -0.04 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ec2 h ALA 44 CO -0.03 -0.39 -0.23 -0.85 0.00 0.00 0.00 179.25 177.75 2ec2 n GLU 45 N -5.27 0.21 0.11 0.00 0.28 -1.12 0.76 120.64 115.61 2ec2 n GLU 45 Ca 0.10 0.13 -0.03 0.00 -0.16 0.00 0.00 57.16 57.19 2ec2 n GLU 45 Cb 0.37 -1.70 0.13 0.00 1.43 0.00 0.00 31.44 31.67 2ec2 n GLU 45 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2ec2 h GLU 46 N 0.00 0.11 0.00 3.44 4.81 0.54 -3.09 114.58 120.38 2ec2 h GLU 46 Ca 0.00 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2ec2 h GLU 46 Cb 0.69 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 2ec2 h GLU 46 CO 0.00 0.71 -0.93 -0.07 -0.73 0.00 0.00 179.01 177.99 2ec2 h LEU 47 N 0.08 0.00 0.00 1.64 3.38 -1.46 -3.48 115.31 115.47 2ec2 h LEU 47 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ec2 h LEU 47 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2ec2 h LEU 47 CO 0.09 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2ec2 n GLY 48 N 1.19 0.97 3.91 0.83 0.00 -1.11 -4.90 105.19 106.09 2ec2 n GLY 48 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2ec2 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ec2 s GLU 50 N -5.46 2.08 -0.16 0.00 2.12 0.43 -3.78 118.70 113.92 2ec2 s GLU 50 Ca 0.61 -0.75 -0.26 0.00 0.36 0.00 0.00 54.97 54.93 2ec2 s GLU 50 Cb -0.11 -1.81 -0.01 0.00 0.26 0.00 0.00 34.13 32.45 2ec2 s GLU 50 CO 0.48 0.34 0.87 0.08 -0.54 0.00 0.00 175.26 176.49 2ec2 s VAL 51 N -0.14 4.85 -0.22 3.70 1.01 -1.26 -1.52 120.40 126.83 2ec2 s VAL 51 Ca -0.02 1.72 0.06 0.00 0.00 0.00 0.00 61.98 63.74 2ec2 s VAL 51 Cb -0.12 -4.17 -0.20 0.00 0.00 0.00 0.00 36.38 31.88 2ec2 s VAL 51 CO 0.02 0.01 -0.04 0.18 0.00 0.00 0.00 175.10 175.27 2ec2 n LEU 52 N 5.28 2.03 -3.65 3.92 4.77 0.15 -4.95 117.00 124.54 2ec2 n LEU 52 Ca 0.06 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 2ec2 n LEU 52 Cb 0.49 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2ec2 n LEU 52 CO 0.49 0.78 0.19 0.00 -1.33 0.00 0.00 177.39 177.52 2ec2 s ALA 53 N -2.52 -1.13 -0.28 -1.18 0.00 -0.70 -5.00 121.76 110.95 2ec2 s ALA 53 Ca -0.25 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 2ec2 s ALA 53 Cb 0.08 0.25 0.17 0.00 0.00 0.00 0.00 23.12 23.62 2ec2 s ALA 53 CO 0.69 -0.41 0.51 -1.17 0.00 0.00 0.00 175.76 175.38 2ec2 s LEU 54 N -1.75 -1.09 -0.12 0.00 2.96 -1.26 -0.01 118.68 117.41 2ec2 s LEU 54 Ca -0.08 0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2ec2 s LEU 54 Cb -0.02 1.72 -0.02 0.00 0.50 0.00 0.00 46.19 48.37 2ec2 s LEU 54 CO 0.01 -0.28 -0.11 -1.83 -1.32 0.00 0.00 176.35 172.82 2ec2 s GLU 55 N 2.73 3.30 -0.06 1.98 -1.05 -0.58 -5.02 118.70 120.00 2ec2 s GLU 55 Ca 0.17 -0.64 -0.02 0.00 -0.15 0.00 0.00 54.97 54.33 2ec2 s GLU 55 Cb -0.15 -2.66 -0.04 0.00 -0.44 0.00 0.00 34.13 30.85 2ec2 s GLU 55 CO -0.20 0.30 0.04 0.08 0.95 0.00 0.00 175.26 176.43 2ec2 s VAL 56 N 0.15 4.58 0.15 1.83 1.01 -1.26 -1.39 120.40 125.47 2ec2 s VAL 56 Ca -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2ec2 s VAL 56 Cb -0.15 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2ec2 s VAL 56 CO 0.04 0.51 0.15 -0.04 0.00 0.00 0.00 175.10 175.77 2ec2 s MET 57 N -1.21 1.05 0.35 2.72 -1.94 -0.15 -5.02 119.30 115.10 2ec2 s MET 57 Ca 0.17 -1.36 0.27 0.00 -1.71 0.00 0.00 55.69 53.06 2ec2 s MET 57 Cb -0.12 0.30 0.96 0.00 2.01 0.00 0.00 34.83 37.99 2ec2 s MET 57 CO 0.06 -0.34 1.78 -1.35 -0.01 0.00 0.00 175.02 175.17 2ec2 h PRO 58 N 2.71 0.00 0.00 2.03 0.11 -1.97 -3.14 132.00 131.75 2ec2 h PRO 58 Ca -0.34 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.48 2ec2 h PRO 58 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2ec2 h PRO 58 CO 0.54 0.00 -2.17 -0.40 -0.21 0.00 0.00 178.00 175.76 2ec2 n ASP 59 N -2.58 0.18 -3.93 -2.05 5.75 -1.26 -4.53 116.55 108.13 2ec2 n ASP 59 Ca 0.03 0.08 -0.09 0.00 -0.01 0.00 0.00 54.79 54.79 2ec2 n ASP 59 Cb 0.33 0.95 -0.06 0.00 -1.03 0.00 0.00 41.12 41.31 2ec2 n ASP 59 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2ec2 s HIS 60 N -2.69 0.28 -0.03 2.11 -3.43 -1.19 -4.02 115.29 106.32 2ec2 s HIS 60 Ca -0.08 -0.63 0.07 0.00 -0.80 0.00 0.00 55.06 53.61 2ec2 s HIS 60 Cb 0.08 0.15 -0.02 0.00 -1.43 0.00 0.00 32.58 31.36 2ec2 s HIS 60 CO 0.84 -0.89 -0.23 0.42 -2.00 0.00 0.00 174.74 172.89 2ec2 s ILE 61 N -3.97 2.35 -0.20 -5.38 1.01 0.96 -0.98 121.20 114.99 2ec2 s ILE 61 Ca 0.18 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 2ec2 s ILE 61 Cb 0.01 -1.85 0.06 0.00 0.01 0.00 0.00 42.46 40.69 2ec2 s ILE 61 CO 0.04 0.58 0.02 -2.28 0.00 0.00 0.00 174.94 173.30 2ec2 s HIS 62 N -0.62 1.29 -0.27 3.97 5.65 -0.48 -1.88 115.29 122.94 2ec2 s HIS 62 Ca 0.10 -1.03 0.03 0.00 0.25 0.00 0.00 55.06 54.41 2ec2 s HIS 62 Cb -0.10 -1.13 0.06 0.00 -1.18 0.00 0.00 32.58 30.23 2ec2 s HIS 62 CO -0.00 -0.64 -0.08 -1.17 -0.65 0.00 0.00 174.74 172.19 2ec2 s LEU 63 N 1.77 3.64 -0.25 8.88 2.96 0.33 -1.53 118.68 134.49 2ec2 s LEU 63 Ca -0.02 -1.47 -0.10 0.00 -0.22 0.00 0.00 54.13 52.32 2ec2 s LEU 63 Cb -0.17 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2ec2 s LEU 63 CO -0.08 -0.22 0.16 0.12 -1.32 0.00 0.00 176.35 175.01 2ec2 s PHE 64 N 1.10 3.29 0.01 5.38 5.36 0.98 -0.93 117.98 133.16 2ec2 s PHE 64 Ca -0.07 0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 56.04 2ec2 s PHE 64 Cb -0.20 -2.28 -0.01 0.00 -0.34 0.00 0.00 43.02 40.19 2ec2 s PHE 64 CO -0.05 0.01 0.05 0.14 -1.46 0.00 0.00 175.22 173.92 2ec2 s VAL 65 N 1.19 0.10 -0.12 3.12 -7.23 -0.48 0.31 120.40 117.28 2ec2 s VAL 65 Ca 0.07 -0.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 2ec2 s VAL 65 Cb -0.14 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 2ec2 s VAL 65 CO 0.06 -0.43 -0.00 0.21 -0.31 0.00 0.00 175.10 174.62 2ec2 s ASN 66 N -1.41 5.15 -0.04 4.85 3.04 -0.57 -0.90 114.94 125.06 2ec2 s ASN 66 Ca -0.15 0.06 -0.05 0.00 0.04 0.00 0.00 52.86 52.76 2ec2 s ASN 66 Cb -0.09 -1.62 0.01 0.00 -1.54 0.00 0.00 41.25 38.02 2ec2 s ASN 66 CO 0.00 0.29 0.13 0.00 -3.04 0.00 0.00 177.10 174.48 2ec2 n PRO 68 N 2.61 1.01 0.22 0.00 -0.02 -1.26 -4.31 135.00 133.25 2ec2 n PRO 68 Ca -0.15 0.37 0.15 0.00 -2.02 0.00 0.00 63.50 61.85 2ec2 n PRO 68 Cb 0.58 -1.85 0.77 0.00 -0.02 0.00 0.00 33.50 32.98 2ec2 n PRO 68 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2ec2 h PRO 69 N 1.17 0.00 0.00 0.52 0.13 -2.00 -2.92 132.00 128.90 2ec2 h PRO 69 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2ec2 h PRO 69 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2ec2 h PRO 69 CO 0.54 0.00 0.00 0.07 -0.23 0.00 0.00 178.00 178.38 2ec2 h ARG 70 N 0.00 0.00 -5.84 0.86 0.11 -2.02 -3.44 114.38 104.05 2ec2 h ARG 70 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 2ec2 h ARG 70 Cb 0.12 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.13 2ec2 h ARG 70 CO 0.00 0.00 0.13 0.71 0.10 0.00 0.00 179.97 180.91 2ec2 s TYR 71 N -3.43 3.46 0.38 4.08 2.02 -1.10 -5.07 117.35 117.69 2ec2 s TYR 71 Ca 0.04 1.09 -0.25 0.00 -0.37 0.00 0.00 57.07 57.58 2ec2 s TYR 71 Cb 0.08 -2.82 -0.09 0.00 -0.40 0.00 0.00 41.96 38.74 2ec2 s TYR 71 CO 0.56 -0.07 1.10 0.00 -1.57 0.00 0.00 175.55 175.57 2ec2 s ALA 72 N 1.47 3.15 0.38 3.71 0.00 -1.26 -4.96 121.76 124.26 2ec2 s ALA 72 Ca 0.33 0.82 0.07 0.00 0.00 0.00 0.00 51.96 53.18 2ec2 s ALA 72 Cb -0.16 -3.32 0.80 0.00 0.00 0.00 0.00 23.12 20.43 2ec2 s ALA 72 CO 0.13 -0.32 1.99 -1.35 0.00 0.00 0.00 175.76 176.22 2ec2 h PRO 73 N 2.74 0.66 0.02 0.00 0.11 -1.99 -1.34 132.00 132.20 2ec2 h PRO 73 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ec2 h PRO 73 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2ec2 h PRO 73 CO 0.63 0.43 -0.01 1.03 -0.21 0.00 0.00 178.00 179.87 2ec2 h SER 74 N 0.67 -0.02 -0.73 -2.05 0.87 -1.99 0.18 113.55 110.48 2ec2 h SER 74 Ca 0.26 -0.22 0.14 0.00 -1.23 0.00 0.00 61.79 60.74 2ec2 h SER 74 Cb 0.18 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.05 2ec2 h SER 74 CO -0.08 0.20 0.26 0.22 -0.53 0.00 0.00 176.83 176.91 2ec2 h TYR 75 N -0.25 0.44 0.21 2.24 3.20 -1.90 -1.14 116.97 119.77 2ec2 h TYR 75 Ca -0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2ec2 h TYR 75 Cb 0.24 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2ec2 h TYR 75 CO 0.00 0.03 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.38 2ec2 h LEU 76 N 0.39 -0.24 0.08 2.82 3.38 -0.92 -0.73 115.31 120.09 2ec2 h LEU 76 Ca 0.40 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.30 2ec2 h LEU 76 Cb 0.62 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2ec2 h LEU 76 CO -0.42 -0.06 -0.31 0.00 0.09 0.00 0.00 178.44 177.74 2ec2 h ALA 77 N 0.35 -0.51 0.00 1.53 0.00 -0.48 -0.87 119.26 119.28 2ec2 h ALA 77 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ec2 h ALA 77 Cb 0.32 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ec2 h ALA 77 CO 0.05 -0.85 -0.02 -0.91 0.00 0.00 0.00 179.25 177.52 2ec2 h ASN 78 N -0.51 0.00 0.06 0.00 2.35 -1.18 -1.67 115.58 114.62 2ec2 h ASN 78 Ca 0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2ec2 h ASN 78 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2ec2 h ASN 78 CO -0.21 0.02 -0.03 0.22 -1.65 0.00 0.00 177.43 175.78 2ec2 h TYR 79 N 0.00 -0.08 -0.52 1.19 3.20 0.22 0.16 116.97 121.14 2ec2 h TYR 79 Ca -0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 2ec2 h TYR 79 Cb 0.11 0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.30 2ec2 h TYR 79 CO 0.00 -0.05 -0.44 0.74 -1.64 0.00 0.00 178.16 176.77 2ec2 h PHE 80 N -0.94 -1.30 0.27 -3.82 0.04 -1.30 -1.11 116.94 108.77 2ec2 h PHE 80 Ca -0.01 0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 2ec2 h PHE 80 Cb 0.07 0.64 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 2ec2 h PHE 80 CO 0.00 -0.43 -0.22 0.87 -0.60 0.00 0.00 178.31 177.93 2ec2 h LYS 81 N -0.27 -0.48 -0.23 1.51 1.57 -1.42 -1.75 116.57 115.51 2ec2 h LYS 81 Ca 0.16 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 2ec2 h LYS 81 Cb 0.57 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.92 2ec2 h LYS 81 CO -0.65 -0.32 -0.29 0.78 -0.57 0.00 0.00 179.45 178.40 2ec2 h GLY 82 N -0.50 -0.29 1.76 3.86 0.00 -0.49 -1.77 103.07 105.63 2ec2 h GLY 82 Ca -0.01 0.36 -0.16 0.00 0.00 0.00 0.00 47.33 47.52 2ec2 h GLY 82 CO -0.02 -0.21 -0.89 0.50 0.00 0.00 0.00 176.54 175.92 2ec2 h LYS 83 N -0.31 0.00 -0.30 4.80 1.79 -1.21 -2.87 116.57 118.46 2ec2 h LYS 83 Ca 0.13 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2ec2 h LYS 83 Cb 0.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2ec2 h LYS 83 CO -0.40 0.62 0.05 0.66 -1.08 0.00 0.00 179.45 179.30 2ec2 h SER 84 N 0.00 0.48 -0.35 0.86 4.64 -1.29 -2.30 113.55 115.59 2ec2 h SER 84 Ca -0.05 -0.26 0.08 0.00 -0.47 0.00 0.00 61.79 61.09 2ec2 h SER 84 Cb 1.58 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 63.46 2ec2 h SER 84 CO 0.08 0.62 -0.17 0.00 -0.87 0.00 0.00 176.83 176.49 2ec2 h ALA 85 N 0.88 0.10 -0.64 5.18 0.00 -1.24 -1.09 119.26 122.45 2ec2 h ALA 85 Ca 0.09 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2ec2 h ALA 85 Cb 0.34 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2ec2 h ALA 85 CO 0.01 -0.55 0.24 0.00 0.00 0.00 0.00 179.25 178.95 2ec2 h ARG 86 N -0.11 0.94 0.25 0.00 3.08 -1.45 -2.40 114.38 114.69 2ec2 h ARG 86 Ca 0.18 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2ec2 h ARG 86 Cb 0.38 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2ec2 h ARG 86 CO -0.42 0.77 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.06 2ec2 h LEU 87 N 0.92 -0.29 -0.77 3.04 3.38 -0.77 -2.60 115.31 118.23 2ec2 h LEU 87 Ca 0.21 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.26 2ec2 h LEU 87 Cb 0.20 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2ec2 h LEU 87 CO -0.02 -0.02 -0.46 -0.38 0.09 0.00 0.00 178.44 177.65 2ec2 n ILE 88 N -3.91 -0.52 0.22 1.22 5.41 -0.48 -1.59 119.36 119.70 2ec2 n ILE 88 Ca -0.04 2.03 0.07 0.00 1.00 0.00 0.00 62.75 65.80 2ec2 n ILE 88 Cb 0.13 -2.52 0.57 0.00 -0.71 0.00 0.00 39.64 37.11 2ec2 n ILE 88 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2ec2 h LEU 89 N 0.00 0.04 -0.05 1.39 3.38 -1.52 0.46 115.31 119.01 2ec2 h LEU 89 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2ec2 h LEU 89 Cb 0.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ec2 h LEU 89 CO -0.73 0.10 -0.04 1.17 0.09 0.00 0.00 178.44 179.04 2ec2 n LYS 90 N -4.45 0.45 -0.00 1.13 3.00 -0.75 -2.70 118.16 114.84 2ec2 n LYS 90 Ca -0.02 -0.05 0.05 0.00 -0.00 0.00 0.00 58.31 58.28 2ec2 n LYS 90 Cb 0.15 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.61 2ec2 n LYS 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2ec2 n LYS 91 N -1.23 2.42 -3.19 1.64 0.00 0.07 -4.70 118.16 113.17 2ec2 n LYS 91 Ca 0.14 -0.03 -0.23 0.00 0.00 0.00 0.00 58.31 58.18 2ec2 n LYS 91 Cb 0.26 -1.08 -0.06 0.00 0.00 0.00 0.00 35.03 34.14 2ec2 n LYS 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2ec2 n PHE 92 N -1.47 -0.19 -0.55 5.64 3.01 0.14 -4.97 117.46 119.07 2ec2 n PHE 92 Ca 0.01 -3.62 0.45 0.00 1.01 0.00 0.00 57.45 55.30 2ec2 n PHE 92 Cb 0.20 -0.37 0.76 0.00 -0.01 0.00 0.00 39.48 40.07 2ec2 n PHE 92 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2ec2 h GLN 93 N 3.81 0.03 0.14 -1.08 -0.00 -1.77 0.13 115.11 116.37 2ec2 h GLN 93 Ca 0.08 -0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.74 2ec2 h GLN 93 Cb 0.89 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.48 28.33 2ec2 h GLN 93 CO 0.47 0.02 -0.38 1.49 -0.00 0.00 0.00 178.83 180.43 2ec2 h GLU 94 N 0.03 -0.60 0.45 0.06 4.57 -1.93 -3.17 114.58 113.98 2ec2 h GLU 94 Ca 0.82 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 59.03 2ec2 h GLU 94 Cb 3.11 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 31.82 2ec2 h GLU 94 CO -0.11 -0.40 -0.41 -0.07 -1.18 0.00 0.00 179.01 176.84 2ec2 h LEU 95 N -0.63 -1.10 -0.68 1.64 3.38 -1.08 -2.42 115.31 114.43 2ec2 h LEU 95 Ca 0.02 0.09 0.27 0.00 0.09 0.00 0.00 57.88 58.35 2ec2 h LEU 95 Cb 0.65 0.36 -0.12 0.00 0.09 0.00 0.00 40.66 41.63 2ec2 h LEU 95 CO -0.21 -0.57 0.30 1.17 0.09 0.00 0.00 178.44 179.21 2ec2 n LYS 96 N -5.51 -0.04 0.08 1.13 4.81 -1.19 -0.62 118.16 116.83 2ec2 n LYS 96 Ca -0.11 0.96 -0.22 0.00 -0.87 0.00 0.00 58.31 58.07 2ec2 n LYS 96 Cb 0.41 -1.68 -0.15 0.00 0.02 0.00 0.00 35.03 33.63 2ec2 n LYS 96 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2ec2 h LYS 97 N 0.00 0.42 0.00 1.64 3.64 -1.41 -0.84 116.57 120.02 2ec2 h LYS 97 Ca 0.55 -0.68 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2ec2 h LYS 97 Cb 1.40 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 2ec2 h LYS 97 CO -0.55 1.31 -0.70 0.66 -2.27 0.00 0.00 179.45 177.91 2ec2 h SER 98 N -0.12 0.00 -0.51 4.20 4.64 -1.10 -2.97 113.55 117.69 2ec2 h SER 98 Ca -0.18 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2ec2 h SER 98 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 2ec2 h SER 98 CO 0.20 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.55 2ec2 n THR 99 N -2.54 0.67 -0.71 2.95 -2.24 0.21 -4.93 114.28 107.70 2ec2 n THR 99 Ca 0.02 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2ec2 n THR 99 Cb 0.51 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2ec2 n THR 99 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ec2 n ASN 100 N 1.12 -3.73 0.00 3.42 3.02 -0.97 0.49 115.26 118.60 2ec2 n ASN 100 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2ec2 n ASN 100 Cb 0.48 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 2ec2 n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ec2 n GLY 101 N 0.32 3.35 3.55 7.41 0.00 -0.36 -4.98 105.19 114.49 2ec2 n GLY 101 Ca 0.00 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 2ec2 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ec2 s LYS 102 N 0.00 2.87 0.03 1.61 -0.14 0.18 -4.79 119.74 119.50 2ec2 s LYS 102 Ca 0.00 -0.04 -0.17 0.00 -1.36 0.00 0.00 55.97 54.40 2ec2 s LYS 102 Cb 0.00 -4.63 -0.27 0.00 -1.68 0.00 0.00 37.83 31.25 2ec2 s LYS 102 CO 0.00 -2.67 1.09 1.25 -0.76 0.00 0.00 175.35 174.25 2ec2 h LEU 103 N 15.47 0.74-10.49 3.17 5.85 -1.96 -3.43 115.31 124.65 2ec2 h LEU 103 Ca -0.12 -0.81 -0.51 0.00 0.84 0.00 0.00 57.88 57.28 2ec2 h LEU 103 Cb 1.08 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2ec2 h LEU 103 CO 1.26 1.47 -0.20 0.26 -0.34 0.00 0.00 178.44 180.89 2ec2 s TRP 104 N -3.03 1.71 0.40 1.25 0.23 -1.26 -0.96 118.94 117.29 2ec2 s TRP 104 Ca -0.11 -0.71 0.06 0.00 -2.03 0.00 0.00 56.10 53.31 2ec2 s TRP 104 Cb 0.05 -2.13 0.00 0.00 0.03 0.00 0.00 33.47 31.42 2ec2 s TRP 104 CO 0.89 -0.79 0.56 0.95 0.96 0.00 0.00 176.95 179.51 2ec2 s THR 105 N -2.65 3.44 -0.63 2.01 -4.23 -1.24 -4.19 115.64 108.15 2ec2 s THR 105 Ca 0.52 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 2ec2 s THR 105 Cb -0.05 -3.19 0.22 0.00 1.34 0.00 0.00 72.50 70.82 2ec2 s THR 105 CO 0.32 -0.08 0.94 -2.11 -0.54 0.00 0.00 174.62 173.15 2ec2 n ARG 106 N -1.83 1.90 -4.38 3.99 0.00 -1.26 -4.87 116.66 110.21 2ec2 n ARG 106 Ca 0.05 -0.86 -0.26 0.00 -0.00 0.00 0.00 57.85 56.78 2ec2 n ARG 106 Cb 0.59 -1.62 -0.10 0.00 -0.00 0.00 0.00 32.46 31.32 2ec2 n ARG 106 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ec2 s SER 107 N -0.07 3.82 0.18 2.89 0.01 -1.26 -5.16 113.70 114.11 2ec2 s SER 107 Ca 0.15 -0.80 -0.15 0.00 1.31 0.00 0.00 55.95 56.46 2ec2 s SER 107 Cb 0.12 -0.46 0.02 0.00 0.21 0.00 0.00 66.02 65.91 2ec2 s SER 107 CO 0.04 0.08 0.46 -0.72 0.41 0.00 0.00 173.24 173.52 2ec2 s TYR 108 N -1.94 -0.01 -0.07 2.43 -0.85 -1.26 -4.69 117.35 110.96 2ec2 s TYR 108 Ca 0.25 -0.34 0.04 0.00 -0.52 0.00 0.00 57.07 56.50 2ec2 s TYR 108 Cb -0.07 0.28 0.00 0.00 0.38 0.00 0.00 41.96 42.55 2ec2 s TYR 108 CO 0.14 -0.86 -0.18 0.12 -1.52 0.00 0.00 175.55 173.24 2ec2 s PHE 109 N -3.89 1.96 -0.03 -3.49 2.19 0.87 -5.00 117.98 110.60 2ec2 s PHE 109 Ca 0.10 -0.71 0.02 0.00 0.33 0.00 0.00 56.93 56.66 2ec2 s PHE 109 Cb 0.00 -1.35 0.01 0.00 -1.31 0.00 0.00 43.02 40.38 2ec2 s PHE 109 CO -0.03 -0.30 -0.05 0.54 1.83 0.00 0.00 175.22 177.21 2ec2 s VAL 110 N 0.35 0.53 -0.05 3.12 0.11 -1.26 -0.57 120.40 122.63 2ec2 s VAL 110 Ca -0.13 -0.19 -0.02 0.00 -2.93 0.00 0.00 61.98 58.71 2ec2 s VAL 110 Cb -0.15 -0.51 0.04 0.00 -1.53 0.00 0.00 36.38 34.23 2ec2 s VAL 110 CO 0.05 0.19 0.10 -0.55 -3.33 0.00 0.00 175.10 171.56 2ec2 s SER 111 N 0.44 0.37 0.74 3.54 0.15 -0.54 -4.96 113.70 113.44 2ec2 s SER 111 Ca -0.06 0.20 -0.11 0.00 0.70 0.00 0.00 55.95 56.68 2ec2 s SER 111 Cb -0.09 0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.32 2ec2 s SER 111 CO 0.00 -0.18 1.07 0.42 1.20 0.00 0.00 173.24 175.75 2ec2 s THR 112 N 1.59 3.67 0.10 6.45 -4.23 -1.26 -0.46 115.64 121.51 2ec2 s THR 112 Ca -0.04 0.54 -0.14 0.00 -1.18 0.00 0.00 61.69 60.87 2ec2 s THR 112 Cb -0.12 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.53 2ec2 s THR 112 CO -0.05 -0.71 0.34 -0.94 -0.54 0.00 0.00 174.62 172.73 2ec2 s SER 113 N -3.70 -0.15 0.00 3.99 1.04 -0.78 -4.87 113.70 109.23 2ec2 s SER 113 Ca 0.59 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2ec2 s SER 113 Cb -0.15 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2ec2 s SER 113 CO 0.55 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2ec2 n GLY 114 N -0.07 3.13 2.70 7.32 0.00 -1.26 -4.32 105.19 112.70 2ec2 n GLY 114 Ca -0.16 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 2ec2 n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ec2 s ASN 115 N 0.00 3.74 -0.29 1.61 0.02 -1.26 -5.11 114.94 113.66 2ec2 s ASN 115 Ca 0.00 -1.42 -0.26 0.00 -1.02 0.00 0.00 52.86 50.16 2ec2 s ASN 115 Cb 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 41.25 40.54 2ec2 s ASN 115 CO 0.00 -0.40 0.89 -0.69 0.02 0.00 0.00 177.10 176.92 2ec2 s VAL 116 N 1.74 4.72 0.47 1.60 1.01 -1.26 -4.91 120.40 123.77 2ec2 s VAL 116 Ca 0.07 1.48 -0.24 0.00 0.00 0.00 0.00 61.98 63.30 2ec2 s VAL 116 Cb -0.17 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 2ec2 s VAL 116 CO -0.24 -0.26 1.30 -0.94 0.00 0.00 0.00 175.10 174.96 2ec2 s SER 117 N 1.52 5.89 0.00 3.32 1.04 -1.26 -4.92 113.70 119.30 2ec2 s SER 117 Ca 0.37 2.62 0.16 0.00 0.48 0.00 0.00 55.95 59.58 2ec2 s SER 117 Cb -0.14 -2.63 0.93 0.00 0.10 0.00 0.00 66.02 64.28 2ec2 s SER 117 CO 0.11 -1.14 1.54 -1.54 0.98 0.00 0.00 173.24 173.20 2ec2 n SER 118 N -0.44 0.00 -0.02 7.02 3.41 -1.26 -3.44 113.62 118.88 2ec2 n SER 118 Ca 0.07 -1.36 -0.21 0.00 -0.26 0.00 0.00 58.87 57.11 2ec2 n SER 118 Cb 0.45 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 2ec2 n SER 118 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ec2 h GLU 119 N 0.00 0.18 -0.09 4.33 3.07 -2.00 -3.31 114.58 116.76 2ec2 h GLU 119 Ca 0.00 -0.31 -0.14 0.00 -0.50 0.00 0.00 59.36 58.41 2ec2 h GLU 119 Cb 0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2ec2 h GLU 119 CO 0.00 1.15 -0.57 1.79 -1.40 0.00 0.00 179.01 179.97 2ec2 h THR 120 N -0.43 1.37 -0.29 1.13 1.35 -1.96 -1.05 112.91 113.02 2ec2 h THR 120 Ca -0.33 -1.90 0.05 0.00 -0.55 0.00 0.00 66.41 63.69 2ec2 h THR 120 Cb 1.67 1.93 -0.08 0.00 -1.73 0.00 0.00 68.15 69.94 2ec2 h THR 120 CO -0.00 0.57 -0.47 0.40 -0.25 0.00 0.00 175.52 175.76 2ec2 h ILE 121 N 0.22 0.08 -0.77 6.82 2.04 -1.74 0.42 117.51 124.59 2ec2 h ILE 121 Ca -0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 2ec2 h ILE 121 Cb 1.07 0.08 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 2ec2 h ILE 121 CO 0.09 0.00 0.31 0.11 0.00 0.00 0.00 178.15 178.66 2ec2 h LYS 122 N -0.42 0.42 0.54 2.37 1.57 -1.46 -2.11 116.57 117.48 2ec2 h LYS 122 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2ec2 h LYS 122 Cb 0.61 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2ec2 h LYS 122 CO -0.51 0.28 -0.42 -0.22 -0.57 0.00 0.00 179.45 178.01 2ec2 h LYS 123 N 0.44 -0.91 -0.66 3.15 3.64 -0.03 -0.90 116.57 121.30 2ec2 h LYS 123 Ca 0.43 0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.98 2ec2 h LYS 123 Cb 0.67 0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 32.57 2ec2 h LYS 123 CO -0.42 -0.60 -0.38 -0.92 -2.27 0.00 0.00 179.45 174.86 2ec2 h TYR 124 N -0.94 -1.07 0.07 1.91 3.20 -0.56 0.16 116.97 119.73 2ec2 h TYR 124 Ca -0.06 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2ec2 h TYR 124 Cb 0.80 0.57 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 2ec2 h TYR 124 CO -0.17 -0.40 -0.28 0.82 -1.64 0.00 0.00 178.16 176.50 2ec2 h ILE 125 N -0.15 0.00 -0.55 1.81 1.08 -1.05 0.33 117.51 118.98 2ec2 h ILE 125 Ca 0.23 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.74 2ec2 h ILE 125 Cb 0.56 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.27 2ec2 h ILE 125 CO -0.74 0.00 0.30 -0.33 -0.69 0.00 0.00 178.15 176.70 2ec2 h GLU 126 N -0.39 0.57 0.00 2.37 4.39 -0.75 0.59 114.58 121.35 2ec2 h GLU 126 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2ec2 h GLU 126 Cb 0.40 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2ec2 h GLU 126 CO -0.15 0.38 0.00 -0.85 -1.16 0.00 0.00 179.01 177.23 2ec2 n GLU 127 N -4.83 0.96 -0.10 2.33 0.28 0.52 -2.20 120.64 117.59 2ec2 n GLU 127 Ca 0.05 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.87 2ec2 n GLU 127 Cb 0.12 -1.09 -0.07 0.00 1.43 0.00 0.00 31.44 31.83 2ec2 n GLU 127 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2ec2 n GLN 128 N -0.59 0.54 -0.32 3.44 1.13 0.18 -4.59 117.38 117.17 2ec2 n GLN 128 Ca 0.04 0.40 0.15 0.00 -1.94 0.00 0.00 57.00 55.66 2ec2 n GLN 128 Cb 0.02 -1.60 0.35 0.00 0.11 0.00 0.00 30.24 29.12 2ec2 n GLN 128 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 2ec2 h TRP 129 N -1.00 0.82 0.00 1.08 -0.00 -0.49 -3.51 115.95 112.85 2ec2 h TRP 129 Ca -0.31 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.62 2ec2 h TRP 129 Cb 1.17 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 30.12 2ec2 h TRP 129 CO -0.13 -0.01 0.00 0.00 -0.00 0.00 0.00 178.44 178.31