#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yic n GLU -4 N 0.00 -0.37 -4.09 1.09 1.02 -1.26 -4.96 120.64 112.07 1yic n GLU -4 Ca 0.00 0.26 -0.35 0.00 -0.02 0.00 0.00 57.16 57.05 1yic n GLU -4 Cb 0.00 -0.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.91 1yic n GLU -4 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1yic n PHE -3 N -1.95 -1.18 0.00 -0.32 -1.74 -1.26 -2.89 117.46 108.12 1yic n PHE -3 Ca -0.00 0.56 0.00 0.00 -0.56 0.00 0.00 57.45 57.45 1yic n PHE -3 Cb 0.08 -1.63 0.00 0.00 1.52 0.00 0.00 39.48 39.45 1yic n PHE -3 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1yic n LYS -2 N -3.63 0.00 0.00 3.97 0.00 -1.26 -4.96 118.16 112.28 1yic n LYS -2 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.41 1yic n LYS -2 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 1yic n LYS -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yic n ALA -1 N 0.00 0.00 0.00 3.14 0.00 -1.14 -4.75 120.51 117.76 1yic n ALA -1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yic n ALA -1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yic n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yic n GLY 1 N 0.00 -0.73 3.33 0.00 0.00 -1.26 -4.73 105.19 101.80 1yic n GLY 1 Ca 0.00 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.28 1yic n GLY 1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yic s SER 2 N -4.00 6.52 0.31 1.61 0.01 -1.26 -4.83 113.70 112.07 1yic s SER 2 Ca 0.00 -2.29 0.07 0.00 1.31 0.00 0.00 55.95 55.04 1yic s SER 2 Cb 0.00 -2.22 0.88 0.00 0.21 0.00 0.00 66.02 64.89 1yic s SER 2 CO 0.00 -0.71 1.63 0.00 0.41 0.00 0.00 173.24 174.57 1yic h ALA 3 N 8.27 1.52 -0.53 1.44 0.00 -1.87 -0.71 119.26 127.37 1yic h ALA 3 Ca -0.06 0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1yic h ALA 3 Cb 1.06 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 1yic h ALA 3 CO 0.88 -0.57 -0.20 0.87 0.00 0.00 0.00 179.25 180.23 1yic h LYS 4 N 0.18 -0.07 -0.61 0.00 1.79 -1.92 0.10 116.57 116.04 1yic h LYS 4 Ca 0.64 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 59.02 1yic h LYS 4 Cb 1.40 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.04 1yic h LYS 4 CO -0.70 -0.05 0.03 -0.22 -1.08 0.00 0.00 179.45 177.44 1yic h LYS 5 N -0.07 1.05 -0.83 3.15 1.63 -1.48 -2.83 116.57 117.18 1yic h LYS 5 Ca 0.25 -0.31 0.21 0.00 -0.85 0.00 0.00 60.65 59.95 1yic h LYS 5 Cb 0.46 -0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 31.85 1yic h LYS 5 CO -0.59 1.00 0.18 0.78 -3.45 0.00 0.00 179.45 177.37 1yic h GLY 6 N 1.01 1.20 0.13 5.01 0.00 -0.37 0.07 103.07 110.13 1yic h GLY 6 Ca 0.18 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.51 1yic h GLY 6 CO 0.02 -0.32 -0.37 0.00 0.00 0.00 0.00 176.54 175.87 1yic h ALA 7 N 1.74 -0.90 -0.73 3.60 0.00 -0.81 0.87 119.26 123.04 1yic h ALA 7 Ca 0.50 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1yic h ALA 7 Cb 0.96 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1yic h ALA 7 CO -0.63 -0.98 0.47 0.00 0.00 0.00 0.00 179.25 178.11 1yic h THR 8 N -0.56 1.16 -0.77 0.00 1.03 -1.55 -0.21 112.91 112.01 1yic h THR 8 Ca -0.01 -0.33 0.18 0.00 -0.01 0.00 0.00 66.41 66.24 1yic h THR 8 Cb 0.55 0.12 -0.13 0.00 -1.07 0.00 0.00 68.15 67.61 1yic h THR 8 CO -0.18 0.17 -0.00 -0.07 -0.01 0.00 0.00 175.52 175.44 1yic h LEU 9 N 0.95 -0.37 -0.37 0.00 -0.00 -0.60 0.44 115.31 115.36 1yic h LEU 9 Ca 0.28 0.20 -0.14 0.00 -0.00 0.00 0.00 57.88 58.22 1yic h LEU 9 Cb -0.07 0.36 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1yic h LEU 9 CO -0.08 -0.19 -0.31 0.15 -0.00 0.00 0.00 178.44 178.02 1yic h PHE 10 N 0.09 1.02 0.00 1.13 3.04 0.11 0.30 116.94 122.63 1yic h PHE 10 Ca 0.42 -0.29 -0.06 0.00 3.98 0.00 0.00 57.97 62.02 1yic h PHE 10 Cb 0.74 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1yic h PHE 10 CO -0.44 1.09 -0.27 0.87 -2.02 0.00 0.00 178.31 177.54 1yic h LYS 11 N 0.66 0.00 0.00 1.11 1.57 0.83 0.18 116.57 120.92 1yic h LYS 11 Ca 0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 1yic h LYS 11 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1yic h LYS 11 CO 0.08 0.27 -1.61 0.25 -0.57 0.00 0.00 179.45 177.87 1yic n THR 12 N -3.99 0.87 -3.02 -0.16 -2.24 0.13 -4.58 114.28 101.28 1yic n THR 12 Ca -0.02 -0.65 -0.15 0.00 -2.27 0.00 0.00 64.05 60.96 1yic n THR 12 Cb 0.34 -0.47 0.01 0.00 -2.10 0.00 0.00 70.33 68.12 1yic n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yic n ARG 13 N -2.70 0.99 0.01 -0.78 1.74 0.10 -4.95 116.66 111.08 1yic n ARG 13 Ca -0.10 -2.85 0.00 0.00 -0.77 0.00 0.00 57.85 54.13 1yic n ARG 13 Cb 0.78 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1yic n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yic n LEU 15 N -2.67 0.00 -0.22 0.00 7.94 -0.08 -1.07 117.00 120.89 1yic n LEU 15 Ca 0.00 0.44 -0.08 0.00 -1.11 0.00 0.00 56.01 55.26 1yic n LEU 15 Cb 0.00 -0.44 0.03 0.00 0.53 0.00 0.00 43.42 43.55 1yic n LEU 15 CO 0.00 -0.44 0.96 1.56 -1.11 0.00 0.00 177.39 178.36 1yic h GLN 16 N 0.00 0.97 0.00 1.96 4.20 -1.81 -3.30 115.11 117.13 1yic h GLN 16 Ca 0.00 -0.21 -0.27 0.00 0.06 0.00 0.00 58.65 58.23 1yic h GLN 16 Cb 0.07 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 1yic h GLN 16 CO 0.00 0.85 -2.03 0.00 -0.67 0.00 0.00 178.83 176.98 1yic n HIS 18 N -2.68 -1.24 -3.49 0.00 8.25 -0.39 -0.72 115.22 114.94 1yic n HIS 18 Ca -0.27 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.05 1yic n HIS 18 Cb 0.95 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.02 1yic n HIS 18 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1yic s THR 19 N 0.09 0.00 -0.64 1.59 -4.23 -1.26 -4.34 115.64 106.85 1yic s THR 19 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1yic s THR 19 Cb 0.00 -1.00 0.41 0.00 1.34 0.00 0.00 72.50 73.25 1yic s THR 19 CO 0.00 0.00 1.77 0.55 -0.54 0.00 0.00 174.62 176.40 1yic n VAL 20 N 0.37 3.28 -4.64 2.29 3.14 -1.26 -1.43 118.33 120.07 1yic n VAL 20 Ca -0.16 -3.86 -0.34 0.00 -2.96 0.00 0.00 64.34 57.02 1yic n VAL 20 Cb 0.60 -1.20 -0.12 0.00 -1.06 0.00 0.00 33.84 32.07 1yic n VAL 20 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1yic s GLU 21 N -3.84 2.80 -0.74 1.45 -1.05 -1.26 -4.44 118.70 111.62 1yic s GLU 21 Ca 0.56 -0.56 -0.26 0.00 -0.15 0.00 0.00 54.97 54.56 1yic s GLU 21 Cb 0.46 -2.59 -0.00 0.00 -0.44 0.00 0.00 34.13 31.55 1yic s GLU 21 CO -0.16 0.62 1.68 0.21 0.95 0.00 0.00 175.26 178.55 1yic s LYS 22 N -0.69 2.87 0.00 -4.83 2.36 -1.26 -1.54 119.74 116.65 1yic s LYS 22 Ca 0.10 0.03 0.00 0.00 -2.55 0.00 0.00 55.97 53.55 1yic s LYS 22 Cb -0.11 -4.56 0.00 0.00 -1.05 0.00 0.00 37.83 32.10 1yic s LYS 22 CO 0.02 -2.64 0.00 0.41 1.55 0.00 0.00 175.35 174.69 1yic n GLY 23 N 5.96 1.33 3.77 5.54 0.00 -1.26 -5.12 105.19 115.41 1yic n GLY 23 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1yic n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yic s GLY 24 N -2.00 1.66 0.02 -0.02 0.00 -0.59 -4.98 107.32 101.42 1yic s GLY 24 Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 44.72 44.63 1yic s GLY 24 CO 0.00 0.54 1.30 -0.56 0.00 0.00 0.00 173.10 174.39 1yic h PRO 25 N -1.14 -0.60 0.00 2.90 0.13 -1.96 -3.43 132.00 127.90 1yic h PRO 25 Ca -0.45 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1yic h PRO 25 Cb 1.24 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1yic h PRO 25 CO 0.53 -0.31 0.00 0.72 -0.23 0.00 0.00 178.00 178.71 1yic n HIS 26 N -5.27 0.00 0.00 1.56 8.25 -1.26 -4.91 115.22 113.59 1yic n HIS 26 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1yic n HIS 26 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1yic n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1yic n LYS 27 N -0.04 0.00 -0.07 -0.41 5.02 -1.26 -2.80 118.16 118.60 1yic n LYS 27 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1yic n LYS 27 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1yic n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1yic n VAL 28 N -0.00 1.30 -4.00 -0.18 0.31 -0.86 -5.02 118.33 109.88 1yic n VAL 28 Ca 0.00 0.22 -0.31 0.00 -0.01 0.00 0.00 64.34 64.24 1yic n VAL 28 Cb 0.00 -2.28 -0.06 0.00 -0.91 0.00 0.00 33.84 30.59 1yic n VAL 28 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yic s GLY 29 N -4.36 2.09 0.48 2.92 0.00 0.10 -5.01 107.32 103.53 1yic s GLY 29 Ca -0.19 -0.93 -0.22 0.00 0.00 0.00 0.00 44.72 43.38 1yic s GLY 29 CO 0.28 -0.89 1.16 2.56 0.00 0.00 0.00 173.10 176.22 1yic s PRO 30 N -2.33 3.65 0.36 2.90 0.04 -1.26 -4.21 135.00 134.16 1yic s PRO 30 Ca 0.30 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 1yic s PRO 30 Cb -0.12 -2.32 -0.12 0.00 0.04 0.00 0.00 34.50 31.98 1yic s PRO 30 CO 0.23 -0.63 1.25 0.09 0.04 0.00 0.00 177.00 177.98 1yic n ASN 31 N -0.68 2.54 0.00 6.66 3.02 -1.26 -4.65 115.26 120.89 1yic n ASN 31 Ca 0.08 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.81 1yic n ASN 31 Cb 0.49 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 1yic n ASN 31 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yic n LEU 32 N 0.66 0.31 -1.83 3.41 4.32 -0.52 -4.89 117.00 118.46 1yic n LEU 32 Ca 0.06 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1yic n LEU 32 Cb 0.37 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 1yic n LEU 32 CO 0.61 -0.37 -0.19 0.00 -1.22 0.00 0.00 177.39 176.22 1yic n HIS 33 N -1.99 0.00 -2.63 -1.77 1.44 -1.26 -1.54 115.22 107.46 1yic n HIS 33 Ca 0.00 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.50 1yic n HIS 33 Cb 0.00 -0.53 0.01 0.00 0.12 0.00 0.00 29.99 29.59 1yic n HIS 33 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1yic n GLY 34 N 1.16 -0.46 0.28 -1.39 0.00 -1.17 -4.86 105.19 98.74 1yic n GLY 34 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1yic n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yic h ILE 35 N -0.56 0.86 -1.95 -0.61 6.09 -1.56 -3.42 117.51 116.36 1yic h ILE 35 Ca -0.49 -0.22 -0.64 0.00 -1.37 0.00 0.00 64.86 62.14 1yic h ILE 35 Cb 1.35 0.16 0.03 0.00 0.47 0.00 0.00 36.82 38.82 1yic h ILE 35 CO 0.55 0.12 0.97 0.49 -3.07 0.00 0.00 178.15 177.21 1yic n PHE 36 N -4.84 2.22 0.00 2.19 3.72 -1.26 -1.00 117.46 118.49 1yic n PHE 36 Ca 0.12 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 1yic n PHE 36 Cb 0.28 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 36.24 1yic n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yic n GLY 37 N 4.09 1.69 3.97 1.37 0.00 0.11 -4.98 105.19 111.44 1yic n GLY 37 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1yic n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yic s ARG 38 N -0.09 3.06 0.52 1.61 0.52 -0.17 -4.80 118.95 119.61 1yic s ARG 38 Ca 0.00 -0.76 -0.10 0.00 -0.52 0.00 0.00 55.73 54.35 1yic s ARG 38 Cb 0.00 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.74 1yic s ARG 38 CO 0.00 -0.14 0.90 -1.01 0.02 0.00 0.00 175.30 175.08 1yic s HIS 39 N -2.38 3.55 -0.68 -0.53 3.76 -1.26 -0.53 115.29 117.22 1yic s HIS 39 Ca 0.47 1.14 -0.26 0.00 -0.15 0.00 0.00 55.06 56.26 1yic s HIS 39 Cb -0.10 -2.56 -0.13 0.00 1.11 0.00 0.00 32.58 30.90 1yic s HIS 39 CO 0.35 -0.41 2.45 -1.13 -0.85 0.00 0.00 174.74 175.15 1yic n SER 40 N -2.14 1.60 0.00 1.40 3.41 1.00 -3.38 113.62 115.50 1yic n SER 40 Ca 0.04 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 1yic n SER 40 Cb 0.54 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1yic n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yic n GLY 41 N 6.23 0.46 2.25 5.00 0.00 -1.26 -4.27 105.19 113.61 1yic n GLY 41 Ca 0.46 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.30 1yic n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yic n GLN 42 N 0.00 0.93 -2.97 1.61 6.02 -1.22 -4.99 117.38 116.76 1yic n GLN 42 Ca 0.00 -3.19 -0.22 0.00 -0.01 0.00 0.00 57.00 53.58 1yic n GLN 42 Cb 0.00 -1.56 0.01 0.00 1.02 0.00 0.00 30.24 29.72 1yic n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yic s ALA 43 N -1.91 3.85 0.34 -1.58 0.00 -1.26 -5.02 121.76 116.19 1yic s ALA 43 Ca 0.37 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1yic s ALA 43 Cb 0.31 -2.07 0.61 0.00 0.00 0.00 0.00 23.12 21.97 1yic s ALA 43 CO -0.09 -0.41 1.96 1.05 0.00 0.00 0.00 175.76 178.27 1yic h GLU 44 N 0.39 0.75 0.00 0.00 4.11 -1.98 -3.45 114.58 114.40 1yic h GLU 44 Ca -0.45 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1yic h GLU 44 Cb 1.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1yic h GLU 44 CO 0.55 0.57 0.00 0.41 0.07 0.00 0.00 179.01 180.61 1yic n GLY 45 N -1.25 4.31 0.29 1.06 0.00 -1.26 -5.18 105.19 103.16 1yic n GLY 45 Ca 0.05 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.55 1yic n GLY 45 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1yic n TYR 46 N 0.00 -0.72 -3.42 1.61 9.36 -1.26 -4.86 117.16 117.87 1yic n TYR 46 Ca 0.00 0.36 -0.28 0.00 3.32 0.00 0.00 57.90 61.30 1yic n TYR 46 Cb 0.00 -0.65 -0.11 0.00 -0.63 0.00 0.00 39.34 37.95 1yic n TYR 46 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1yic s SER 47 N -3.24 2.05 1.05 2.98 1.04 -1.26 -5.12 113.70 111.20 1yic s SER 47 Ca 0.00 -2.71 -0.14 0.00 0.48 0.00 0.00 55.95 53.59 1yic s SER 47 Cb 0.00 -0.42 0.15 0.00 0.10 0.00 0.00 66.02 65.85 1yic s SER 47 CO 0.00 -0.23 0.63 -1.22 0.98 0.00 0.00 173.24 173.41 1yic n TYR 48 N 3.33 -0.91 -2.27 5.02 4.01 -1.26 -5.01 117.16 120.08 1yic n TYR 48 Ca 0.23 0.13 -0.32 0.00 -0.16 0.00 0.00 57.90 57.78 1yic n TYR 48 Cb 0.43 -1.75 -0.02 0.00 -0.31 0.00 0.00 39.34 37.70 1yic n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1yic s THR 49 N -2.41 4.62 0.29 -0.72 -4.23 -1.26 -4.88 115.64 107.05 1yic s THR 49 Ca 0.62 1.04 0.02 0.00 -1.18 0.00 0.00 61.69 62.20 1yic s THR 49 Cb -0.20 -3.77 0.30 0.00 1.34 0.00 0.00 72.50 70.17 1yic s THR 49 CO 0.64 -0.83 1.65 0.44 -0.54 0.00 0.00 174.62 175.99 1yic h ASP 50 N 0.53 0.04 0.76 3.99 5.19 -1.95 0.58 116.42 125.56 1yic h ASP 50 Ca -0.46 0.19 -0.04 0.00 -0.62 0.00 0.00 57.03 56.10 1yic h ASP 50 Cb 1.19 0.25 0.01 0.00 0.18 0.00 0.00 39.33 40.95 1yic h ASP 50 CO 0.62 -0.14 -0.36 0.00 -3.12 0.00 0.00 179.24 176.24 1yic h ALA 51 N 1.77 -1.01 -0.08 3.45 0.00 -1.88 0.11 119.26 121.62 1yic h ALA 51 Ca 0.55 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1yic h ALA 51 Cb 1.10 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1yic h ALA 51 CO -0.63 -1.00 -0.06 -0.97 0.00 0.00 0.00 179.25 176.59 1yic h ASN 52 N -1.16 -0.19 0.32 0.00 -0.73 -1.79 -0.50 115.58 111.54 1yic h ASN 52 Ca -0.10 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 1yic h ASN 52 Cb 0.80 0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1yic h ASN 52 CO 0.17 -0.08 -0.16 0.40 -0.37 0.00 0.00 177.43 177.39 1yic h ILE 53 N -0.07 0.67 -0.11 2.57 2.04 -0.90 -3.17 117.51 118.54 1yic h ILE 53 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1yic h ILE 53 Cb 0.15 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1yic h ILE 53 CO -0.12 0.00 0.04 0.50 0.00 0.00 0.00 178.15 178.57 1yic h LYS 54 N -0.44 0.16 -7.28 2.37 1.63 -0.68 -3.42 116.57 108.91 1yic h LYS 54 Ca -0.04 -0.03 -0.52 0.00 -0.85 0.00 0.00 60.65 59.21 1yic h LYS 54 Cb 0.34 -0.03 0.15 0.00 -0.60 0.00 0.00 32.23 32.10 1yic h LYS 54 CO 0.07 0.27 0.30 -1.59 -3.45 0.00 0.00 179.45 175.05 1yic s LYS 55 N -5.54 1.95 -0.38 1.90 -2.85 -0.20 -5.03 119.74 109.58 1yic s LYS 55 Ca -0.14 1.34 0.01 0.00 -1.00 0.00 0.00 55.97 56.18 1yic s LYS 55 Cb 0.06 -1.85 0.14 0.00 -2.06 0.00 0.00 37.83 34.12 1yic s LYS 55 CO 0.69 -1.90 0.23 -0.80 0.10 0.00 0.00 175.35 173.67 1yic s ASN 56 N -3.02 3.02 -0.28 0.03 0.01 -1.26 -4.78 114.94 108.66 1yic s ASN 56 Ca 0.64 -2.36 -0.06 0.00 -0.71 0.00 0.00 52.86 50.37 1yic s ASN 56 Cb -0.20 -0.55 0.01 0.00 0.41 0.00 0.00 41.25 40.92 1yic s ASN 56 CO 0.54 -0.29 0.06 -0.69 -1.51 0.00 0.00 177.10 175.21 1yic s VAL 57 N 0.82 3.85 -0.06 1.60 1.01 -1.26 -4.87 120.40 121.48 1yic s VAL 57 Ca 0.19 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1yic s VAL 57 Cb -0.21 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1yic s VAL 57 CO -0.01 0.15 1.46 -0.22 0.00 0.00 0.00 175.10 176.47 1yic s LEU 58 N 1.49 4.29 -0.36 3.92 2.96 -1.26 -0.00 118.68 129.71 1yic s LEU 58 Ca 0.03 2.06 -0.29 0.00 -0.22 0.00 0.00 54.13 55.71 1yic s LEU 58 Cb -0.17 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.98 1yic s LEU 58 CO 0.01 -0.80 1.35 0.26 -1.32 0.00 0.00 176.35 175.85 1yic s TRP 59 N 3.21 2.55 0.00 5.38 0.23 0.31 -4.77 118.94 125.85 1yic s TRP 59 Ca 0.65 0.76 0.00 0.00 -2.03 0.00 0.00 56.10 55.48 1yic s TRP 59 Cb -0.30 -4.12 0.00 0.00 0.03 0.00 0.00 33.47 29.08 1yic s TRP 59 CO 0.25 -1.83 0.00 -0.25 0.96 0.00 0.00 176.95 176.07 1yic n ASP 60 N 8.20 0.00 0.05 2.95 8.00 -1.26 0.10 116.55 134.58 1yic n ASP 60 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1yic n ASP 60 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1yic n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1yic n GLU 61 N -0.04 0.00 -0.17 -1.24 1.02 -1.26 -4.83 120.64 114.13 1yic n GLU 61 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1yic n GLU 61 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.56 1yic n GLU 61 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1yic h ASN 62 N 0.00 0.87 0.07 1.62 -0.73 -1.97 0.95 115.58 116.40 1yic h ASN 62 Ca 0.00 -0.17 -0.14 0.00 1.87 0.00 0.00 56.30 57.86 1yic h ASN 62 Cb 0.00 -0.23 0.01 0.00 0.27 0.00 0.00 38.32 38.38 1yic h ASN 62 CO 0.00 0.86 -0.59 -0.55 -0.37 0.00 0.00 177.43 176.78 1yic h ASN 63 N 0.89 0.39 -0.80 1.15 -1.07 -1.92 -3.20 115.58 111.01 1yic h ASN 63 Ca 0.19 -0.90 0.05 0.00 0.07 0.00 0.00 56.30 55.71 1yic h ASN 63 Cb 0.34 -0.12 -0.05 0.00 -2.07 0.00 0.00 38.32 36.42 1yic h ASN 63 CO 0.00 1.25 0.53 -0.03 0.07 0.00 0.00 177.43 179.25 1yic h MET 64 N -0.41 0.92 -0.02 4.14 4.05 -1.81 -1.22 114.93 120.57 1yic h MET 64 Ca -0.09 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1yic h MET 64 Cb 1.41 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.99 1yic h MET 64 CO 0.11 0.61 -0.10 1.03 0.23 0.00 0.00 176.91 178.79 1yic h SER 65 N 0.94 -0.31 -0.89 1.39 0.87 -0.87 0.13 113.55 114.82 1yic h SER 65 Ca 0.33 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 61.04 1yic h SER 65 Cb 0.12 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.11 1yic h SER 65 CO -0.11 -0.09 0.52 1.05 -0.53 0.00 0.00 176.83 177.68 1yic h GLU 66 N -0.10 0.80 0.18 2.24 4.11 -1.40 0.12 114.58 120.52 1yic h GLU 66 Ca 0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 1yic h GLU 66 Cb 0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1yic h GLU 66 CO -0.08 0.53 -0.25 -0.92 0.07 0.00 0.00 179.01 178.37 1yic h TYR 67 N 0.83 -0.69 -0.02 2.06 3.20 -1.06 -2.96 116.97 118.33 1yic h TYR 67 Ca 0.44 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.29 1yic h TYR 67 Cb 0.46 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1yic h TYR 67 CO -0.05 -0.31 -0.15 -0.07 -1.64 0.00 0.00 178.16 175.94 1yic h LEU 68 N -0.44 0.03 -1.63 2.82 3.38 -0.17 0.21 115.31 119.50 1yic h LEU 68 Ca -0.02 -0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.17 1yic h LEU 68 Cb 0.40 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1yic h LEU 68 CO -0.07 0.18 0.61 0.74 0.09 0.00 0.00 178.44 180.00 1yic h THR 69 N 0.03 0.63 -0.62 0.22 2.02 -0.69 0.15 112.91 114.66 1yic h THR 69 Ca 0.00 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1yic h THR 69 Cb 0.29 0.32 -0.16 0.00 -1.74 0.00 0.00 68.15 66.85 1yic h THR 69 CO 0.02 0.05 -0.31 0.21 0.37 0.00 0.00 175.52 175.86 1yic s ASN 70 N -5.62 -0.91 0.00 4.18 3.84 0.57 -3.27 114.94 113.73 1yic s ASN 70 Ca -0.07 -0.95 0.00 0.00 0.21 0.00 0.00 52.86 52.04 1yic s ASN 70 Cb 0.23 1.18 0.00 0.00 -0.55 0.00 0.00 41.25 42.11 1yic s ASN 70 CO 0.78 -0.05 0.41 -0.81 -2.79 0.00 0.00 177.10 174.64 1yic n PRO 71 N 3.03 0.37 0.00 0.43 -0.04 -0.19 -1.95 135.00 136.65 1yic n PRO 71 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1yic n PRO 71 Cb 0.60 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1yic n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1yic n LYS 73 N 0.92 0.00 0.13 0.54 4.76 -1.26 -0.51 118.16 122.75 1yic n LYS 73 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1yic n LYS 73 Cb 0.18 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.31 1yic n LYS 73 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1yic h TYR 74 N 0.00 -0.39 -3.40 2.13 5.03 -1.72 -3.35 116.97 115.28 1yic h TYR 74 Ca 0.00 0.00 -0.69 0.00 2.58 0.00 0.00 58.73 60.62 1yic h TYR 74 Cb 0.00 0.15 -0.36 0.00 1.55 0.00 0.00 36.73 38.07 1yic h TYR 74 CO 0.00 -0.23 -0.24 0.42 -1.32 0.00 0.00 178.16 176.79 1yic s ILE 75 N -6.13 3.98 -0.50 1.81 1.01 0.34 -5.04 121.20 116.67 1yic s ILE 75 Ca -0.15 -3.54 -0.27 0.00 0.00 0.00 0.00 60.65 56.69 1yic s ILE 75 Cb 0.06 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1yic s ILE 75 CO 0.65 -1.00 1.98 -2.16 0.00 0.00 0.00 174.94 174.41 1yic s PRO 76 N -0.85 2.70 0.00 2.79 0.04 -1.26 -0.94 135.00 137.49 1yic s PRO 76 Ca 0.23 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1yic s PRO 76 Cb -0.12 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1yic s PRO 76 CO -0.09 -2.62 0.00 0.41 0.04 0.00 0.00 177.00 174.74 1yic n GLY 77 N 5.70 0.88 3.64 0.56 0.00 -1.26 -4.84 105.19 109.88 1yic n GLY 77 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1yic n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1yic n THR 78 N -0.56 2.57 1.50 2.61 5.66 -0.11 -4.82 114.28 121.13 1yic n THR 78 Ca 0.00 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.51 1yic n THR 78 Cb 0.00 -1.28 0.04 0.00 -1.55 0.00 0.00 70.33 67.55 1yic n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1yic n LYS 79 N 0.03 1.28 -1.74 1.09 4.01 -1.26 -4.70 118.16 116.87 1yic n LYS 79 Ca 0.09 -0.36 -0.18 0.00 -0.51 0.00 0.00 58.31 57.35 1yic n LYS 79 Cb 0.40 -1.19 -0.09 0.00 -0.51 0.00 0.00 35.03 33.64 1yic n LYS 79 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1yic s MET 80 N -1.73 1.65 0.00 1.97 1.75 -1.26 -4.77 119.30 116.91 1yic s MET 80 Ca 0.06 -0.41 -0.05 0.00 -1.25 0.00 0.00 55.69 54.05 1yic s MET 80 Cb 0.04 -5.01 -0.21 0.00 2.84 0.00 0.00 34.83 32.49 1yic s MET 80 CO 0.04 -4.81 3.13 0.00 -0.65 0.00 0.00 175.02 172.73 1yic n ALA 81 N 17.88 5.61 -2.87 4.11 0.00 -1.26 -4.89 120.51 139.09 1yic n ALA 81 Ca 0.43 -1.40 -0.35 0.00 0.00 0.00 0.00 53.44 52.13 1yic n ALA 81 Cb 0.46 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 1yic n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1yic s PHE 82 N 0.96 3.57 0.17 0.00 5.36 -1.26 -5.01 117.98 121.78 1yic s PHE 82 Ca 0.51 0.45 -0.22 0.00 -0.96 0.00 0.00 56.93 56.71 1yic s PHE 82 Cb 0.24 -1.89 0.08 0.00 -0.34 0.00 0.00 43.02 41.11 1yic s PHE 82 CO 0.00 0.67 1.59 0.78 -1.46 0.00 0.00 175.22 176.80 1yic h GLY 83 N 4.23 -0.22 0.00 13.12 0.00 -1.97 -3.45 103.07 114.78 1yic h GLY 83 Ca -0.51 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1yic h GLY 83 CO 0.65 -0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1yic n GLY 84 N -1.42 1.29 0.05 4.60 0.00 -1.26 -4.86 105.19 103.60 1yic n GLY 84 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1yic n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yic n LEU 85 N -0.33 0.00 0.00 0.99 4.77 0.53 -4.95 117.00 118.00 1yic n LEU 85 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1yic n LEU 85 Cb 0.00 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1yic n LEU 85 CO 0.00 0.24 0.00 0.29 -1.33 0.00 0.00 177.39 176.59 1yic n LYS 86 N -2.45 0.00 -1.85 3.23 4.76 -1.20 -4.73 118.16 115.92 1yic n LYS 86 Ca -0.17 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 54.88 1yic n LYS 86 Cb 0.82 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 34.04 1yic n LYS 86 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1yic s LYS 87 N 0.00 3.28 0.05 1.97 3.01 -1.26 -4.92 119.74 121.86 1yic s LYS 87 Ca 0.00 2.19 -0.21 0.00 -1.01 0.00 0.00 55.97 56.94 1yic s LYS 87 Cb 0.00 -2.32 -0.13 0.00 -1.01 0.00 0.00 37.83 34.37 1yic s LYS 87 CO 0.00 -1.07 1.42 1.49 0.51 0.00 0.00 175.35 177.70 1yic h GLU 88 N 1.62 0.29 0.38 1.68 4.81 -2.00 -3.21 114.58 118.16 1yic h GLU 88 Ca -0.51 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 58.59 1yic h GLU 88 Cb 1.29 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1yic h GLU 88 CO 0.58 0.60 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.99 1yic h LYS 89 N -0.03 -0.57 -0.84 1.92 3.64 -1.94 0.16 116.57 118.91 1yic h LYS 89 Ca 0.03 0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.67 1yic h LYS 89 Cb 0.50 0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 32.29 1yic h LYS 89 CO 0.02 -0.38 -0.03 -0.25 -2.27 0.00 0.00 179.45 176.54 1yic n ASP 90 N -3.84 -0.14 0.32 4.20 9.92 -1.26 -0.60 116.55 125.15 1yic n ASP 90 Ca -0.07 1.44 -0.18 0.00 -0.53 0.00 0.00 54.79 55.44 1yic n ASP 90 Cb 0.25 -0.50 -0.10 0.00 -0.64 0.00 0.00 41.12 40.13 1yic n ASP 90 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1yic h ARG 91 N 0.00 -0.98 -0.37 -1.24 2.43 -1.27 -1.02 114.38 111.93 1yic h ARG 91 Ca 0.49 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.74 1yic h ARG 91 Cb 0.96 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1yic h ARG 91 CO -0.81 -0.66 0.21 -0.91 -1.51 0.00 0.00 179.97 176.30 1yic h ASN 92 N -1.02 0.34 -0.58 -3.80 2.35 0.17 0.18 115.58 113.22 1yic h ASN 92 Ca -0.07 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.79 1yic h ASN 92 Cb 0.87 -0.07 -0.11 0.00 0.05 0.00 0.00 38.32 39.06 1yic h ASN 92 CO -0.02 0.25 -0.34 0.44 -1.65 0.00 0.00 177.43 176.11 1yic h ASP 93 N 0.43 -1.17 0.66 5.81 3.32 -0.88 0.12 116.42 124.71 1yic h ASP 93 Ca 0.15 0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 1yic h ASP 93 Cb 0.01 0.58 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1yic h ASP 93 CO -0.07 -0.31 -0.47 0.25 -1.72 0.00 0.00 179.24 176.93 1yic h LEU 94 N -0.17 -1.21 -0.21 1.55 5.85 0.29 -2.33 115.31 119.08 1yic h LEU 94 Ca 0.22 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.07 1yic h LEU 94 Cb 0.55 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1yic h LEU 94 CO -0.67 -0.69 -0.12 0.40 -0.34 0.00 0.00 178.44 177.02 1yic h ILE 95 N -1.08 0.63 -0.36 4.05 5.03 -0.33 -0.47 117.51 124.98 1yic h ILE 95 Ca -0.08 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.73 1yic h ILE 95 Cb 0.89 0.63 -0.08 0.00 -3.03 0.00 0.00 36.82 35.23 1yic h ILE 95 CO 0.05 0.00 -0.18 0.71 -0.68 0.00 0.00 178.15 178.05 1yic h THR 96 N -0.11 0.46 0.11 -0.27 1.35 -0.77 0.99 112.91 114.67 1yic h THR 96 Ca 0.12 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.99 1yic h THR 96 Cb 0.29 0.46 -0.05 0.00 -1.73 0.00 0.00 68.15 67.12 1yic h THR 96 CO -0.28 0.00 -0.51 0.22 -0.25 0.00 0.00 175.52 174.70 1yic h TYR 97 N -0.12 -1.49 -0.81 4.73 3.20 -0.83 -0.54 116.97 121.11 1yic h TYR 97 Ca 0.18 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.23 1yic h TYR 97 Cb 0.40 0.64 -0.09 0.00 1.54 0.00 0.00 36.73 39.22 1yic h TYR 97 CO -0.40 -0.58 0.40 -0.07 -1.64 0.00 0.00 178.16 175.87 1yic h LEU 98 N -0.73 0.48 -0.92 2.82 3.38 -0.28 0.21 115.31 120.28 1yic h LEU 98 Ca -0.00 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1yic h LEU 98 Cb 0.73 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1yic h LEU 98 CO -0.28 0.22 0.58 0.50 0.09 0.00 0.00 178.44 179.54 1yic h LYS 99 N 0.60 1.01 -0.08 1.13 1.63 -0.39 0.10 116.57 120.56 1yic h LYS 99 Ca 0.43 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 60.12 1yic h LYS 99 Cb 0.58 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1yic h LYS 99 CO -0.35 0.67 -0.13 -0.22 -3.45 0.00 0.00 179.45 175.97 1yic h LYS 100 N 1.04 0.23 -0.41 1.90 3.11 0.89 0.23 116.57 123.56 1yic h LYS 100 Ca 0.40 -0.14 0.09 0.00 -2.81 0.00 0.00 60.65 58.19 1yic h LYS 100 Cb 0.19 0.01 -0.09 0.00 -1.00 0.00 0.00 32.23 31.35 1yic h LYS 100 CO -0.18 0.71 -0.16 0.00 -2.81 0.00 0.00 179.45 177.00 1yic h ALA 101 N 0.53 0.17 -0.58 5.00 0.00 -0.39 -3.41 119.26 120.57 1yic h ALA 101 Ca 0.01 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1yic h ALA 101 Cb 0.68 0.42 -0.19 0.00 0.00 0.00 0.00 17.79 18.70 1yic h ALA 101 CO 0.03 -0.52 -0.23 -1.54 0.00 0.00 0.00 179.25 176.99 1yic s SER 102 N -5.17 -0.92 0.00 0.00 1.04 0.32 -5.00 113.70 103.97 1yic s SER 102 Ca -0.14 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1yic s SER 102 Cb 0.15 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.60 1yic s SER 102 CO 0.70 -0.13 0.09 1.21 0.98 0.00 0.00 173.24 176.09