#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 0.94 -1.49 -0.78 -0.00 -1.26 -5.07 120.64 112.98 1yic n GLU -4 Ca 0.00 -2.94 -0.45 0.00 -0.00 0.00 0.00 57.16 53.77 1yic n GLU -4 Cb 0.00 -1.48 -0.07 0.00 -0.00 0.00 0.00 31.44 29.89 1yic n GLU -4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1yic n PHE -3 N 0.51 1.43 -2.22 -1.84 7.35 -1.26 -4.85 117.46 116.59 1yic n PHE -3 Ca 0.19 0.22 -0.40 0.00 -0.76 0.00 0.00 57.45 56.71 1yic n PHE -3 Cb 0.65 -2.55 0.02 0.00 0.35 0.00 0.00 39.48 37.95 1yic n PHE -3 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1yic n LYS -2 N 8.48 4.08 0.00 -4.13 0.00 -1.26 -4.99 118.16 120.35 1yic n LYS -2 Ca 0.43 -3.95 0.00 0.00 0.00 0.00 0.00 58.31 54.79 1yic n LYS -2 Cb 0.29 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 32.94 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 -0.06 0.00 0.00 3.14 0.00 -1.26 -4.96 120.51 117.37 1yic n ALA -1 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1yic n ALA -1 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 0.85 2.49 0.00 0.00 -1.26 -4.35 105.19 102.92 1yic n GLY 1 Ca 0.00 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1yic n GLY 1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yic s SER 2 N -4.00 1.47 0.19 1.61 1.04 -1.18 -4.89 113.70 107.93 1yic s SER 2 Ca 0.00 -2.54 0.11 0.00 0.48 0.00 0.00 55.95 54.01 1yic s SER 2 Cb 0.00 -0.07 0.68 0.00 0.10 0.00 0.00 66.02 66.74 1yic s SER 2 CO 0.00 -0.20 0.79 0.00 0.98 0.00 0.00 173.24 174.81 1yic n ALA 3 N 3.32 0.53 -0.02 5.32 0.00 -1.25 -2.90 120.51 125.52 1yic n ALA 3 Ca 0.22 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1yic n ALA 3 Cb 0.46 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1yic n ALA 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1yic n LYS 4 N -4.08 0.00 0.00 0.00 2.85 -1.26 -1.28 118.16 114.39 1yic n LYS 4 Ca 0.19 -0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1yic n LYS 4 Cb 0.66 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.52 1yic n LYS 4 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1yic n LYS 5 N 3.37 0.00 -0.31 -1.58 4.81 -1.14 -4.97 118.16 118.33 1yic n LYS 5 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 1yic n LYS 5 Cb 0.00 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.33 1yic n LYS 5 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1yic h GLY 6 N 0.00 1.55 0.35 3.14 0.00 -1.29 -0.45 103.07 106.37 1yic h GLY 6 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.10 1yic h GLY 6 CO 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 176.54 176.04 1yic h ALA 7 N 1.63 -0.64 -0.51 3.60 0.00 -1.74 -0.09 119.26 121.51 1yic h ALA 7 Ca 0.53 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 1yic h ALA 7 Cb 0.87 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1yic h ALA 7 CO -0.43 -0.92 -0.04 1.79 0.00 0.00 0.00 179.25 179.65 1yic h THR 8 N -0.59 1.26 -0.36 0.00 1.35 -1.60 -0.92 112.91 112.04 1yic h THR 8 Ca 0.03 -1.13 0.04 0.00 -0.55 0.00 0.00 66.41 64.80 1yic h THR 8 Cb 0.63 0.91 -0.06 0.00 -1.73 0.00 0.00 68.15 67.89 1yic h THR 8 CO -0.22 0.40 -0.42 -0.07 -0.25 0.00 0.00 175.52 174.96 1yic h LEU 9 N 0.82 -1.41 -1.01 3.87 -0.00 -0.90 -1.61 115.31 115.07 1yic h LEU 9 Ca 0.15 0.19 0.14 0.00 -0.00 0.00 0.00 57.88 58.36 1yic h LEU 9 Cb 0.55 0.58 -0.09 0.00 -0.00 0.00 0.00 40.66 41.70 1yic h LEU 9 CO 0.03 -0.28 0.63 0.15 -0.00 0.00 0.00 178.44 178.97 1yic h PHE 10 N -0.25 1.12 -0.00 1.13 3.04 -0.27 0.38 116.94 122.09 1yic h PHE 10 Ca 0.06 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1yic h PHE 10 Cb 0.42 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.58 1yic h PHE 10 CO -0.74 0.39 0.01 0.87 -2.02 0.00 0.00 178.31 176.82 1yic h LYS 11 N 0.93 0.00 0.00 1.11 1.57 -0.20 0.77 116.57 120.76 1yic h LYS 11 Ca 0.52 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.19 1yic h LYS 11 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1yic h LYS 11 CO -0.30 0.00 -1.42 0.25 -0.57 0.00 0.00 179.45 177.42 1yic n THR 12 N -3.08 0.42 0.08 -0.16 -2.24 -0.13 -4.58 114.28 104.58 1yic n THR 12 Ca -0.03 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 1yic n THR 12 Cb 0.08 -0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 67.36 1yic n THR 12 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1yic h ARG 13 N 0.00 0.20 0.00 -0.78 2.47 -0.10 -3.43 114.38 112.74 1yic h ARG 13 Ca -0.16 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1yic h ARG 13 Cb 1.33 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.77 1yic h ARG 13 CO -0.00 1.11 -0.48 0.00 0.56 0.00 0.00 179.97 181.15 1yic h LEU 15 N 0.00 0.00 -0.83 0.00 5.85 -1.44 0.32 115.31 119.22 1yic h LEU 15 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1yic h LEU 15 Cb 0.48 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1yic h LEU 15 CO 0.00 0.00 0.52 0.06 -0.34 0.00 0.00 178.44 178.68 1yic h GLN 16 N 0.00 1.11 0.00 1.25 3.07 -1.82 -3.21 115.11 115.51 1yic h GLN 16 Ca 0.07 -0.09 -0.35 0.00 0.09 0.00 0.00 58.65 58.37 1yic h GLN 16 Cb 1.15 -0.24 -0.07 0.00 0.08 0.00 0.00 27.48 28.40 1yic h GLN 16 CO -0.00 0.76 -2.32 0.00 0.09 0.00 0.00 178.83 177.37 1yic n HIS 18 N -2.81 -0.13 0.00 0.00 8.25 0.46 -0.52 115.22 120.47 1yic n HIS 18 Ca -0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1yic n HIS 18 Cb 1.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.19 1yic n HIS 18 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1yic n THR 19 N -0.04 0.00 -0.75 1.59 -1.04 -1.26 -4.38 114.28 108.39 1yic n THR 19 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1yic n THR 19 Cb 0.00 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1yic n THR 19 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1yic n VAL 20 N -1.77 0.00 -4.11 12.58 3.14 -1.26 -4.91 118.33 122.00 1yic n VAL 20 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 1yic n VAL 20 Cb 0.00 -0.09 -0.07 0.00 -1.06 0.00 0.00 33.84 32.61 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 -0.56 2.86 0.09 1.45 -1.05 -1.26 -0.81 118.70 119.42 1yic s GLU 21 Ca 0.00 -0.65 -0.30 0.00 -0.15 0.00 0.00 54.97 53.86 1yic s GLU 21 Cb 0.00 -2.72 -0.06 0.00 -0.44 0.00 0.00 34.13 30.91 1yic s GLU 21 CO 0.00 0.59 1.21 0.21 0.95 0.00 0.00 175.26 178.22 1yic s LYS 22 N -2.11 4.44 0.00 -4.83 2.36 -1.26 -2.52 119.74 115.83 1yic s LYS 22 Ca 0.26 1.81 0.00 0.00 -2.55 0.00 0.00 55.97 55.49 1yic s LYS 22 Cb -0.12 -3.32 0.00 0.00 -1.05 0.00 0.00 37.83 33.34 1yic s LYS 22 CO 0.18 -0.22 0.00 0.41 1.55 0.00 0.00 175.35 177.27 1yic n GLY 23 N 2.99 1.87 3.67 5.54 0.00 -1.26 -5.03 105.19 112.97 1yic n GLY 23 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1yic n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yic n GLY 24 N -2.00 0.09 0.00 -0.02 0.00 -1.05 -5.01 105.19 97.20 1yic n GLY 24 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1yic n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yic n PRO 25 N -1.24 0.95 -3.72 1.61 -0.04 -1.26 -4.74 135.00 126.56 1yic n PRO 25 Ca 0.14 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.31 1yic n PRO 25 Cb 0.47 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.77 1yic n PRO 25 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1yic s HIS 26 N -0.03 1.26 0.00 0.54 3.76 -1.26 -3.23 115.29 116.33 1yic s HIS 26 Ca 0.00 -1.24 0.00 0.00 -0.15 0.00 0.00 55.06 53.67 1yic s HIS 26 Cb 0.00 -1.30 0.00 0.00 1.11 0.00 0.00 32.58 32.39 1yic s HIS 26 CO 0.00 -0.75 0.00 1.63 -0.85 0.00 0.00 174.74 174.77 1yic n LYS 27 N 4.98 0.00 -0.06 1.40 5.02 -1.25 -4.88 118.16 123.37 1yic n LYS 27 Ca -0.06 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.19 1yic n LYS 27 Cb 0.44 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.42 1yic n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1yic h VAL 28 N 0.00 0.37 -2.47 -0.18 2.07 -1.66 -3.47 116.25 110.91 1yic h VAL 28 Ca 0.00 -1.30 -0.45 0.00 0.82 0.00 0.00 66.70 65.78 1yic h VAL 28 Cb 0.00 0.72 0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1yic h VAL 28 CO 0.00 0.13 -0.12 -0.83 0.02 0.00 0.00 177.57 176.77 1yic s GLY 29 N -3.81 1.68 0.40 2.17 0.00 0.32 -5.03 107.32 103.05 1yic s GLY 29 Ca -0.06 -1.23 -0.25 0.00 0.00 0.00 0.00 44.72 43.18 1yic s GLY 29 CO 0.18 -1.03 1.09 2.56 0.00 0.00 0.00 173.10 175.89 1yic s PRO 30 N -4.56 4.14 -0.31 2.90 0.04 -1.26 -4.53 135.00 131.42 1yic s PRO 30 Ca 0.51 1.62 -0.40 0.00 0.04 0.00 0.00 61.00 62.78 1yic s PRO 30 Cb -0.10 -2.61 -0.15 0.00 0.04 0.00 0.00 34.50 31.68 1yic s PRO 30 CO 0.37 -0.19 1.82 0.09 0.04 0.00 0.00 177.00 179.13 1yic n ASN 31 N 0.02 2.27 0.11 6.66 3.02 -1.20 -4.61 115.26 121.53 1yic n ASN 31 Ca 0.05 0.98 0.12 0.00 -0.03 0.00 0.00 54.58 55.69 1yic n ASN 31 Cb 0.48 -1.14 0.46 0.00 -0.61 0.00 0.00 39.78 38.98 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 6.01 0.63 -4.10 3.41 4.77 -1.26 -4.86 117.00 121.60 1yic n LEU 32 Ca 0.30 0.63 -0.46 0.00 -0.03 0.00 0.00 56.01 56.45 1yic n LEU 32 Cb 0.13 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1yic n LEU 32 CO 0.81 -0.45 -0.19 0.00 -1.33 0.00 0.00 177.39 176.23 1yic n HIS 33 N -2.17 -1.38 -2.89 -1.77 1.44 -1.22 -1.60 115.22 105.64 1yic n HIS 33 Ca 0.03 0.11 -0.07 0.00 -2.01 0.00 0.00 57.72 55.78 1yic n HIS 33 Cb 0.27 -2.79 0.01 0.00 0.12 0.00 0.00 29.99 27.59 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 -2.14 -2.27 0.75 -1.39 0.00 0.01 -4.77 105.19 95.38 1yic n GLY 34 Ca -0.13 0.84 -0.06 0.00 0.00 0.00 0.00 46.02 46.67 1yic n GLY 34 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1yic n ILE 35 N 0.24 0.00 -0.63 -0.61 3.06 -0.62 -4.88 119.36 115.92 1yic n ILE 35 Ca 0.04 -0.11 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1yic n ILE 35 Cb 0.30 -1.09 -0.00 0.00 0.54 0.00 0.00 39.64 39.40 1yic n ILE 35 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1yic n PHE 36 N -2.98 -1.72 0.00 9.51 3.72 -1.26 -4.79 117.46 119.94 1yic n PHE 36 Ca 0.03 0.93 0.00 0.00 -0.05 0.00 0.00 57.45 58.36 1yic n PHE 36 Cb 0.13 -1.74 0.00 0.00 -0.94 0.00 0.00 39.48 36.93 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 -1.98 1.21 3.90 1.37 0.00 0.66 -4.92 105.19 105.43 1yic n GLY 37 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1yic n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1yic s ARG 38 N 0.00 2.99 0.68 1.61 1.70 -1.26 -4.76 118.95 119.90 1yic s ARG 38 Ca 0.00 0.20 -0.07 0.00 -0.47 0.00 0.00 55.73 55.39 1yic s ARG 38 Cb 0.00 -2.19 0.05 0.00 -0.57 0.00 0.00 34.95 32.24 1yic s ARG 38 CO 0.00 -0.76 1.00 -1.01 -1.08 0.00 0.00 175.30 173.45 1yic s HIS 39 N -3.10 3.02 -1.26 5.89 3.76 -1.26 -1.96 115.29 120.38 1yic s HIS 39 Ca 0.55 0.55 -0.20 0.00 -0.15 0.00 0.00 55.06 55.81 1yic s HIS 39 Cb -0.11 -3.09 0.01 0.00 1.11 0.00 0.00 32.58 30.50 1yic s HIS 39 CO 0.48 -1.27 1.81 -1.54 -0.85 0.00 0.00 174.74 173.36 1yic s SER 40 N -4.46 6.19 0.00 1.40 1.04 0.14 -3.69 113.70 114.32 1yic s SER 40 Ca 0.59 -2.17 0.00 0.00 0.48 0.00 0.00 55.95 54.85 1yic s SER 40 Cb -0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1yic s SER 40 CO 0.45 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1yic n GLY 41 N 5.55 -0.25 0.91 7.32 0.00 -1.26 -2.74 105.19 114.71 1yic n GLY 41 Ca 0.47 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.37 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 2.09 -3.50 1.61 6.02 -1.24 -4.92 117.38 117.43 1yic n GLN 42 Ca 0.00 -3.01 -0.42 0.00 -0.01 0.00 0.00 57.00 53.56 1yic n GLN 42 Cb 0.00 -1.77 -0.10 0.00 1.02 0.00 0.00 30.24 29.38 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 -3.07 3.45 -1.27 -1.58 0.00 -1.26 -5.02 121.76 113.01 1yic s ALA 43 Ca 0.42 -1.66 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 1yic s ALA 43 Cb 0.37 -2.79 0.09 0.00 0.00 0.00 0.00 23.12 20.79 1yic s ALA 43 CO 0.02 -1.35 1.66 -1.83 0.00 0.00 0.00 175.76 174.26 1yic s GLU 44 N 1.66 4.00 0.00 0.00 -1.05 -1.26 -3.09 118.70 118.96 1yic s GLU 44 Ca 0.05 -2.10 0.00 0.00 -0.15 0.00 0.00 54.97 52.77 1yic s GLU 44 Cb -0.19 -5.42 0.00 0.00 -0.44 0.00 0.00 34.13 28.08 1yic s GLU 44 CO 0.09 -2.14 0.00 0.41 0.95 0.00 0.00 175.26 174.57 1yic n GLY 45 N 5.16 1.51 3.75 -3.83 0.00 -1.26 -5.15 105.19 105.38 1yic n GLY 45 Ca 0.45 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 1yic n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yic s TYR 46 N 0.00 2.42 -0.70 1.61 5.04 -1.18 -5.01 117.35 119.54 1yic s TYR 46 Ca 0.00 1.59 -0.08 0.00 -2.44 0.00 0.00 57.07 56.14 1yic s TYR 46 Cb 0.00 -3.18 0.18 0.00 0.35 0.00 0.00 41.96 39.31 1yic s TYR 46 CO 0.00 -1.97 0.57 -1.54 -1.34 0.00 0.00 175.55 171.27 1yic s SER 47 N -2.85 5.91 0.97 4.32 1.04 -1.26 -5.05 113.70 116.79 1yic s SER 47 Ca 0.66 -2.71 -0.11 0.00 0.48 0.00 0.00 55.95 54.26 1yic s SER 47 Cb -0.20 -2.02 0.17 0.00 0.10 0.00 0.00 66.02 64.07 1yic s SER 47 CO 0.50 -0.48 1.09 -0.31 0.98 0.00 0.00 173.24 175.01 1yic s TYR 48 N 0.15 1.89 -1.23 5.02 1.51 -1.26 -4.92 117.35 118.51 1yic s TYR 48 Ca 0.16 1.37 0.00 0.00 -1.01 0.00 0.00 57.07 57.60 1yic s TYR 48 Cb -0.17 -3.18 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 1yic s TYR 48 CO -0.05 -2.88 0.58 2.41 -1.11 0.00 0.00 175.55 174.49 1yic n THR 49 N -4.24 0.00 0.00 -0.71 -1.04 -1.26 -4.88 114.28 102.15 1yic n THR 49 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1yic n THR 49 Cb 0.54 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 1yic n THR 49 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1yic n ASP 50 N -0.09 0.00 -0.05 8.00 8.00 -1.26 -4.62 116.55 126.53 1yic n ASP 50 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1yic n ASP 50 Cb 0.18 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 1yic n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yic h ALA 51 N 0.00 -0.36 -0.49 2.24 0.00 -1.89 0.69 119.26 119.44 1yic h ALA 51 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1yic h ALA 51 Cb 0.00 0.86 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 1yic h ALA 51 CO 0.00 -0.43 -0.17 -0.97 0.00 0.00 0.00 179.25 177.68 1yic h ASN 52 N -0.08 -0.61 0.02 0.00 -1.24 -1.87 0.25 115.58 112.06 1yic h ASN 52 Ca 0.02 0.16 0.01 0.00 0.71 0.00 0.00 56.30 57.20 1yic h ASN 52 Cb 0.13 0.36 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 1yic h ASN 52 CO -0.16 -0.21 -0.26 0.40 -1.29 0.00 0.00 177.43 175.91 1yic h ILE 53 N -0.06 0.00 -0.06 2.57 2.04 -1.31 -2.54 117.51 118.16 1yic h ILE 53 Ca 0.24 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.98 1yic h ILE 53 Cb 0.42 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1yic h ILE 53 CO -0.54 0.00 -0.50 0.50 0.00 0.00 0.00 178.15 177.61 1yic h LYS 54 N -0.34 0.16 -0.93 2.37 3.64 -0.25 -1.09 116.57 120.13 1yic h LYS 54 Ca 0.00 -0.09 0.12 0.00 -1.27 0.00 0.00 60.65 59.41 1yic h LYS 54 Cb 0.36 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 1yic h LYS 54 CO -0.17 0.63 0.59 -0.22 -2.27 0.00 0.00 179.45 178.02 1yic h LYS 55 N 0.13 0.85 -5.86 1.90 1.63 -0.50 -3.47 116.57 111.25 1yic h LYS 55 Ca 0.00 -0.05 -0.33 0.00 -0.85 0.00 0.00 60.65 59.42 1yic h LYS 55 Cb 0.93 -0.19 0.12 0.00 -0.60 0.00 0.00 32.23 32.49 1yic h LYS 55 CO 0.07 0.56 -0.84 -1.71 -3.45 0.00 0.00 179.45 174.08 1yic n ASN 56 N -4.56 -6.05 -4.69 4.20 2.85 -0.41 -4.96 115.26 101.63 1yic n ASN 56 Ca 0.17 -0.82 -0.37 0.00 -0.11 0.00 0.00 54.58 53.45 1yic n ASN 56 Cb 0.36 -4.22 -0.08 0.00 1.24 0.00 0.00 39.78 37.08 1yic n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1yic s VAL 57 N -3.39 5.31 0.18 3.44 1.01 -1.26 -4.74 120.40 120.95 1yic s VAL 57 Ca 0.42 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 1yic s VAL 57 Cb -0.11 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 1yic s VAL 57 CO 0.81 0.34 1.31 -0.22 0.00 0.00 0.00 175.10 177.33 1yic s LEU 58 N 0.90 4.41 -0.41 3.92 2.96 -1.26 0.27 118.68 129.48 1yic s LEU 58 Ca 0.13 2.35 -0.23 0.00 -0.22 0.00 0.00 54.13 56.17 1yic s LEU 58 Cb -0.13 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.97 1yic s LEU 58 CO 0.04 -0.53 0.76 0.26 -1.32 0.00 0.00 176.35 175.56 1yic s TRP 59 N 0.33 3.06 0.13 5.38 0.23 -0.83 -4.71 118.94 122.54 1yic s TRP 59 Ca 0.58 0.32 0.06 0.00 -2.03 0.00 0.00 56.10 55.03 1yic s TRP 59 Cb -0.36 -3.48 -0.04 0.00 0.03 0.00 0.00 33.47 29.62 1yic s TRP 59 CO 0.36 -0.84 -0.14 0.34 0.96 0.00 0.00 176.95 177.63 1yic s ASP 60 N 1.98 2.12 0.32 2.95 2.15 -1.26 -0.25 116.67 124.68 1yic s ASP 60 Ca 0.29 -0.84 0.10 0.00 0.43 0.00 0.00 52.55 52.54 1yic s ASP 60 Cb -0.13 -0.08 0.92 0.00 -0.30 0.00 0.00 42.92 43.33 1yic s ASP 60 CO 0.19 -0.14 1.71 -0.08 -0.17 0.00 0.00 175.17 176.68 1yic h GLU 61 N 3.39 0.49 0.20 4.34 4.81 -1.97 0.32 114.58 126.16 1yic h GLU 61 Ca -0.40 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1yic h GLU 61 Cb 1.20 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1yic h GLU 61 CO 0.52 0.32 -0.09 -0.97 -0.73 0.00 0.00 179.01 178.06 1yic h ASN 62 N 0.50 -0.22 0.76 1.04 -1.24 -1.99 -3.10 115.58 111.33 1yic h ASN 62 Ca 0.66 -0.30 -0.04 0.00 0.71 0.00 0.00 56.30 57.33 1yic h ASN 62 Cb 1.31 0.06 0.01 0.00 0.73 0.00 0.00 38.32 40.43 1yic h ASN 62 CO -0.51 0.29 -0.36 -1.13 -1.29 0.00 0.00 177.43 174.43 1yic h ASN 63 N -0.86 -0.86 -1.00 1.15 -1.24 -1.78 -3.01 115.58 107.97 1yic h ASN 63 Ca -0.03 0.02 0.38 0.00 0.71 0.00 0.00 56.30 57.39 1yic h ASN 63 Cb 0.51 0.22 -0.18 0.00 0.73 0.00 0.00 38.32 39.61 1yic h ASN 63 CO 0.04 -0.49 0.43 -0.03 -1.29 0.00 0.00 177.43 176.09 1yic h MET 64 N -1.26 0.02 -0.56 6.67 4.05 -0.56 0.33 114.93 123.62 1yic h MET 64 Ca -0.10 -0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.42 1yic h MET 64 Cb 0.79 -0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.47 1yic h MET 64 CO 0.17 0.01 -0.25 1.03 0.23 0.00 0.00 176.91 178.10 1yic h SER 65 N 0.02 -0.87 -0.15 1.39 0.87 -1.44 0.26 113.55 113.62 1yic h SER 65 Ca 0.79 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 61.55 1yic h SER 65 Cb 2.01 0.47 -0.01 0.00 -0.44 0.00 0.00 62.40 64.43 1yic h SER 65 CO -0.79 -0.27 0.08 1.05 -0.53 0.00 0.00 176.83 176.37 1yic h GLU 66 N -0.11 0.22 0.19 2.24 4.11 -0.44 -0.24 114.58 120.55 1yic h GLU 66 Ca 0.25 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1yic h GLU 66 Cb 0.51 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1yic h GLU 66 CO -0.63 0.23 -0.35 -0.92 0.07 0.00 0.00 179.01 177.41 1yic h TYR 67 N 0.15 -0.99 -0.64 2.06 3.20 -1.08 -2.54 116.97 117.13 1yic h TYR 67 Ca 0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1yic h TYR 67 Cb 0.07 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 1yic h TYR 67 CO -0.04 -0.42 0.38 -0.07 -1.64 0.00 0.00 178.16 176.37 1yic h LEU 68 N -0.58 0.76 -1.57 2.82 3.38 -0.47 0.38 115.31 120.03 1yic h LEU 68 Ca -0.02 -0.04 0.27 0.00 0.09 0.00 0.00 57.88 58.18 1yic h LEU 68 Cb 0.54 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1yic h LEU 68 CO -0.13 0.58 0.69 0.74 0.09 0.00 0.00 178.44 180.41 1yic h THR 69 N 0.87 0.53 -0.61 0.22 2.02 -0.71 0.28 112.91 115.52 1yic h THR 69 Ca 0.23 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.22 1yic h THR 69 Cb -0.03 0.22 -0.15 0.00 -1.74 0.00 0.00 68.15 66.45 1yic h THR 69 CO -0.04 0.05 -0.35 -3.20 0.37 0.00 0.00 175.52 172.35 1yic n ASN 70 N -4.49 -2.66 -1.24 4.18 2.85 0.97 -3.15 115.26 111.73 1yic n ASN 70 Ca 0.24 -2.24 0.00 0.00 -0.11 0.00 0.00 54.58 52.47 1yic n ASN 70 Cb 0.92 1.37 0.00 0.00 1.24 0.00 0.00 39.78 43.31 1yic n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1yic n PRO 71 N 2.66 0.58 0.00 1.20 -0.04 0.76 -1.25 135.00 138.91 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 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1yic n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1yic n LYS 73 N 1.05 0.00 -0.06 0.54 4.81 -1.26 -0.10 118.16 123.13 1yic n LYS 73 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1yic n LYS 73 Cb 0.29 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.27 1yic n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1yic h TYR 74 N 0.00 0.70 -3.34 5.64 3.20 -1.50 -3.35 116.97 118.31 1yic h TYR 74 Ca 0.00 -0.24 -0.70 0.00 3.14 0.00 0.00 58.73 60.93 1yic h TYR 74 Cb 0.00 -0.13 -0.36 0.00 1.54 0.00 0.00 36.73 37.78 1yic h TYR 74 CO 0.00 0.97 -0.16 0.42 -1.64 0.00 0.00 178.16 177.75 1yic s ILE 75 N -4.11 4.19 -0.95 1.81 1.01 0.85 -5.03 121.20 118.98 1yic s ILE 75 Ca -0.13 -3.76 -0.24 0.00 0.00 0.00 0.00 60.65 56.52 1yic s ILE 75 Cb 0.07 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.85 1yic s ILE 75 CO 0.81 -1.05 1.97 -2.16 0.00 0.00 0.00 174.94 174.51 1yic s PRO 76 N -1.17 2.47 0.00 2.79 0.04 -1.26 -1.81 135.00 136.06 1yic s PRO 76 Ca 0.26 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1yic s PRO 76 Cb -0.09 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.37 1yic s PRO 76 CO -0.11 -3.59 0.00 0.41 0.04 0.00 0.00 177.00 173.75 1yic n GLY 77 N 6.65 0.48 3.72 0.56 0.00 -1.26 -5.05 105.19 110.29 1yic n GLY 77 Ca 0.41 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 2.04 0.47 2.61 5.66 -0.75 -4.81 114.28 119.50 1yic n THR 78 Ca 0.00 -0.50 0.03 0.00 -3.05 0.00 0.00 64.05 60.53 1yic n THR 78 Cb 0.00 -1.70 0.14 0.00 -1.55 0.00 0.00 70.33 67.22 1yic n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1yic n LYS 79 N 0.48 2.24 -1.99 1.09 2.85 -1.26 -4.79 118.16 116.78 1yic n LYS 79 Ca 0.04 -1.07 -0.30 0.00 -1.05 0.00 0.00 58.31 55.93 1yic n LYS 79 Cb 0.37 -1.68 -0.04 0.00 -0.65 0.00 0.00 35.03 33.02 1yic n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1yic s MET 80 N -1.62 2.49 -0.76 -1.58 1.75 -1.26 -4.86 119.30 113.45 1yic s MET 80 Ca 0.19 0.12 -0.07 0.00 -1.25 0.00 0.00 55.69 54.68 1yic s MET 80 Cb 0.14 -4.81 -0.13 0.00 2.84 0.00 0.00 34.83 32.86 1yic s MET 80 CO 0.06 -3.25 2.78 0.00 -0.65 0.00 0.00 175.02 173.97 1yic n ALA 81 N 14.01 5.92 -2.69 4.11 0.00 -1.26 -4.92 120.51 135.68 1yic n ALA 81 Ca 0.34 -2.28 -0.37 0.00 0.00 0.00 0.00 53.44 51.14 1yic n ALA 81 Cb 0.49 -2.83 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 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 2.15 3.64 0.19 0.00 5.36 -1.26 -5.00 117.98 123.06 1yic s PHE 82 Ca 0.56 0.73 -0.21 0.00 -0.96 0.00 0.00 56.93 57.05 1yic s PHE 82 Cb 0.19 -2.10 0.13 0.00 -0.34 0.00 0.00 43.02 40.90 1yic s PHE 82 CO -0.03 0.66 1.57 0.78 -1.46 0.00 0.00 175.22 176.75 1yic h GLY 83 N 4.59 -0.16 0.00 13.12 0.00 -1.91 -3.47 103.07 115.25 1yic h GLY 83 Ca -0.52 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1yic h GLY 83 CO 0.61 -0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1yic n GLY 84 N -1.43 0.23 2.47 4.60 0.00 -1.26 -4.74 105.19 105.06 1yic n GLY 84 Ca 0.05 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.86 4.93 -4.05 0.99 4.77 0.99 -4.90 117.00 118.87 1yic n LEU 85 Ca 0.00 -5.16 -0.40 0.00 -0.03 0.00 0.00 56.01 50.43 1yic n LEU 85 Cb 0.00 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1yic n LEU 85 CO 0.00 2.19 2.13 0.29 -1.33 0.00 0.00 177.39 180.67 1yic n LYS 86 N -0.50 2.26 0.00 3.23 5.02 -1.19 -3.78 118.16 123.20 1yic n LYS 86 Ca 0.40 -2.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.21 1yic n LYS 86 Cb 0.65 -3.31 0.00 0.00 -0.02 0.00 0.00 35.03 32.36 1yic n LYS 86 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1yic n LYS 87 N 7.30 2.99 0.00 1.97 4.81 -1.26 -5.06 118.16 128.91 1yic n LYS 87 Ca 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1yic n LYS 87 Cb 0.42 -0.25 0.00 0.00 0.02 0.00 0.00 35.03 35.23 1yic n LYS 87 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1yic n GLU 88 N 0.00 0.00 -0.07 1.64 0.00 -1.25 -4.28 120.64 116.68 1yic n GLU 88 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 1yic n GLU 88 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.44 1yic n GLU 88 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1yic h LYS 89 N 0.00 -0.09 -0.10 5.31 3.64 -1.93 0.15 116.57 123.55 1yic h LYS 89 Ca 0.00 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1yic h LYS 89 Cb 0.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1yic h LYS 89 CO 0.00 -0.06 -0.57 -0.44 -2.27 0.00 0.00 179.45 176.10 1yic h ASP 90 N -0.10 0.34 0.20 4.20 3.32 -1.94 -3.33 116.42 119.12 1yic h ASP 90 Ca 0.15 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1yic h ASP 90 Cb 0.33 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1yic h ASP 90 CO -0.36 0.84 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.81 1yic h ARG 91 N 0.23 -0.26 -3.82 3.56 2.43 -1.52 -3.01 114.38 111.98 1yic h ARG 91 Ca -0.00 0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.59 1yic h ARG 91 Cb 1.07 0.06 0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1yic h ARG 91 CO 0.09 0.09 2.85 0.09 -1.51 0.00 0.00 179.97 181.58 1yic n ASN 92 N -5.04 4.58 0.04 -3.80 3.02 0.41 -2.41 115.26 112.06 1yic n ASN 92 Ca -0.09 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 51.86 1yic n ASN 92 Cb 0.25 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 1yic n ASN 92 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1yic n ASP 93 N 5.57 -0.73 -0.05 6.41 8.00 -1.24 -3.10 116.55 131.41 1yic n ASP 93 Ca 0.54 0.27 -0.09 0.00 0.71 0.00 0.00 54.79 56.22 1yic n ASP 93 Cb 0.29 0.92 -0.03 0.00 -0.02 0.00 0.00 41.12 42.28 1yic n ASP 93 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1yic h LEU 94 N 0.00 -1.03 -0.36 0.64 5.85 -1.33 -0.34 115.31 118.74 1yic h LEU 94 Ca 0.00 0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1yic h LEU 94 Cb 0.00 0.46 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1yic h LEU 94 CO 0.00 -0.34 0.02 0.40 -0.34 0.00 0.00 178.44 178.18 1yic h ILE 95 N -0.34 0.75 -0.53 4.05 5.03 -1.84 -0.24 117.51 124.40 1yic h ILE 95 Ca 0.13 -0.04 0.01 0.00 -0.12 0.00 0.00 64.86 64.83 1yic h ILE 95 Cb 0.54 0.62 -0.03 0.00 -3.03 0.00 0.00 36.82 34.92 1yic h ILE 95 CO -0.43 0.02 0.34 0.71 -0.68 0.00 0.00 178.15 178.12 1yic h THR 96 N 0.12 1.11 0.34 -0.27 1.35 -1.51 0.14 112.91 114.19 1yic h THR 96 Ca 0.18 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1yic h THR 96 Cb 0.23 0.36 -0.03 0.00 -1.73 0.00 0.00 68.15 66.98 1yic h THR 96 CO -0.28 0.13 -0.50 0.22 -0.25 0.00 0.00 175.52 174.84 1yic h TYR 97 N 0.69 -1.39 -0.96 4.73 3.20 -0.74 -2.72 116.97 119.76 1yic h TYR 97 Ca 0.20 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.20 1yic h TYR 97 Cb -0.05 0.56 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 1yic h TYR 97 CO -0.05 -0.63 0.60 -0.07 -1.64 0.00 0.00 178.16 176.37 1yic h LEU 98 N -0.88 0.89 -1.19 2.82 3.38 -0.29 0.55 115.31 120.59 1yic h LEU 98 Ca -0.03 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1yic h LEU 98 Cb 0.81 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 1yic h LEU 98 CO -0.15 0.50 0.60 0.50 0.09 0.00 0.00 178.44 179.97 1yic h LYS 99 N 0.98 0.76 0.09 1.13 1.63 -0.51 0.40 116.57 121.05 1yic h LYS 99 Ca 0.46 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 60.09 1yic h LYS 99 Cb 0.41 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1yic h LYS 99 CO -0.25 0.50 -0.55 -0.22 -3.45 0.00 0.00 179.45 175.49 1yic h LYS 100 N 0.78 0.21 -0.33 1.90 3.64 -0.69 -3.27 116.57 118.82 1yic h LYS 100 Ca 0.47 -0.35 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1yic h LYS 100 Cb 0.67 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1yic h LYS 100 CO -0.24 1.16 0.24 0.00 -2.27 0.00 0.00 179.45 178.34 1yic h ALA 101 N 0.07 2.31 -0.67 5.00 0.00 -0.51 -2.05 119.26 123.41 1yic h ALA 101 Ca -0.09 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.28 1yic h ALA 101 Cb 1.42 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 19.04 1yic h ALA 101 CO 0.10 -0.40 0.59 -1.13 0.00 0.00 0.00 179.25 178.41 1yic n SER 102 N -4.43 6.85 0.00 0.00 3.41 0.14 -4.78 113.62 114.80 1yic n SER 102 Ca 0.05 -3.36 0.03 0.00 -0.26 0.00 0.00 58.87 55.32 1yic n SER 102 Cb 0.41 -1.12 0.17 0.00 -0.26 0.00 0.00 64.21 63.42 1yic n SER 102 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04