#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 0.00 -3.91 -2.82 4.71 -1.26 -4.50 120.64 112.86 1yic n GLU -4 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 1yic n GLU -4 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 31.44 30.29 1yic n GLU -4 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1yic s PHE -3 N 0.00 0.07 0.00 -0.32 2.19 -1.26 -4.90 117.98 113.76 1yic s PHE -3 Ca 0.00 -0.01 0.00 0.00 0.33 0.00 0.00 56.93 57.25 1yic s PHE -3 Cb 0.00 -0.06 0.00 0.00 -1.31 0.00 0.00 43.02 41.65 1yic s PHE -3 CO 0.00 -0.01 0.00 1.17 1.83 0.00 0.00 175.22 178.21 1yic n LYS -2 N 3.11 0.00 0.00 10.12 4.81 -1.26 -4.93 118.16 130.01 1yic n LYS -2 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1yic n LYS -2 Cb 0.59 -0.35 0.00 0.00 0.02 0.00 0.00 35.03 35.29 1yic n LYS -2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1yic n ALA -1 N -2.23 0.00 -0.85 3.14 0.00 -1.26 -5.15 120.51 114.16 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 -0.31 0.73 3.30 0.00 0.00 -1.26 -4.78 105.19 102.87 1yic n GLY 1 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.67 0.51 1.61 0.01 -1.26 -4.98 113.70 104.92 1yic s SER 2 Ca 0.00 1.02 0.19 0.00 1.31 0.00 0.00 55.95 58.47 1yic s SER 2 Cb 0.00 1.77 1.28 0.00 0.21 0.00 0.00 66.02 69.28 1yic s SER 2 CO 0.00 -0.25 2.08 0.00 0.41 0.00 0.00 173.24 175.48 1yic h ALA 3 N 8.09 2.17 0.00 1.44 0.00 -1.86 -3.21 119.26 125.89 1yic h ALA 3 Ca -0.19 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.12 1yic h ALA 3 Cb 1.12 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.94 1yic h ALA 3 CO 0.17 -0.24 2.53 1.17 0.00 0.00 0.00 179.25 182.88 1yic n LYS 4 N -4.47 1.88 0.00 0.00 4.81 -1.26 -1.57 118.16 117.55 1yic n LYS 4 Ca 0.03 -1.87 0.00 0.00 -0.87 0.00 0.00 58.31 55.60 1yic n LYS 4 Cb 0.30 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.49 1yic n LYS 4 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1yic n LYS 5 N 6.15 0.00 -0.33 1.64 4.81 -1.23 -5.00 118.16 124.20 1yic n LYS 5 Ca 0.50 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 58.05 1yic n LYS 5 Cb 0.34 0.00 0.30 0.00 0.02 0.00 0.00 35.03 35.68 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 1.66 0.96 3.14 0.00 -1.29 -0.41 103.07 107.13 1yic h GLY 6 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1yic h GLY 6 CO 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 176.54 176.03 1yic h ALA 7 N 1.64 -1.12 -0.70 3.60 0.00 -1.83 -0.22 119.26 120.62 1yic h ALA 7 Ca 0.55 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1yic h ALA 7 Cb 0.88 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1yic h ALA 7 CO -0.40 -1.13 0.44 0.00 0.00 0.00 0.00 179.25 178.15 1yic h THR 8 N -1.11 1.10 -0.68 0.00 1.03 -1.77 -1.44 112.91 110.04 1yic h THR 8 Ca -0.11 -0.30 0.10 0.00 -0.01 0.00 0.00 66.41 66.09 1yic h THR 8 Cb 0.86 0.16 -0.11 0.00 -1.07 0.00 0.00 68.15 67.99 1yic h THR 8 CO 0.16 0.16 -0.45 -0.07 -0.01 0.00 0.00 175.52 175.31 1yic h LEU 9 N 0.86 -1.57 -1.33 0.00 -0.00 -0.86 0.67 115.31 113.08 1yic h LEU 9 Ca 0.28 0.26 0.01 0.00 -0.00 0.00 0.00 57.88 58.44 1yic h LEU 9 Cb 0.02 0.72 -0.03 0.00 -0.00 0.00 0.00 40.66 41.37 1yic h LEU 9 CO -0.11 -0.32 0.45 0.15 -0.00 0.00 0.00 178.44 178.62 1yic h PHE 10 N -0.18 0.85 0.00 1.13 3.57 -0.15 0.46 116.94 122.63 1yic h PHE 10 Ca 0.20 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1yic h PHE 10 Cb 0.55 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1yic h PHE 10 CO -0.77 0.53 -0.24 0.87 -2.23 0.00 0.00 178.31 176.48 1yic h LYS 11 N 0.92 0.00 -0.01 1.11 1.57 0.30 0.30 116.57 120.75 1yic h LYS 11 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1yic h LYS 11 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1yic h LYS 11 CO -0.06 0.24 -0.38 0.25 -0.57 0.00 0.00 179.45 178.93 1yic n THR 12 N -3.24 0.00 0.00 -0.16 -2.24 0.20 -4.70 114.28 104.14 1yic n THR 12 Ca 0.02 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1yic n THR 12 Cb 0.54 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.09 0.00 0.00 -0.78 5.12 0.15 -5.02 116.66 116.04 1yic n ARG 13 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1yic n ARG 13 Cb 0.38 -0.63 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 1yic n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1yic n LEU 15 N 0.00 0.00 0.00 0.00 7.94 -0.76 -4.02 117.00 120.15 1yic n LEU 15 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1yic n LEU 15 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1yic n LEU 15 CO 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 177.39 175.95 1yic n GLN 16 N 0.00 0.00 0.02 1.96 10.64 -1.26 -4.67 117.38 124.07 1yic n GLN 16 Ca 0.00 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.28 1yic n GLN 16 Cb 0.00 -0.56 0.05 0.00 -0.86 0.00 0.00 30.24 28.88 1yic n GLN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yic s HIS 18 N -3.15 1.65 0.30 0.00 3.76 -1.26 -0.33 115.29 116.25 1yic s HIS 18 Ca 0.05 -1.49 -0.15 0.00 -0.15 0.00 0.00 55.06 53.32 1yic s HIS 18 Cb 0.15 -0.81 0.02 0.00 1.11 0.00 0.00 32.58 33.04 1yic s HIS 18 CO 0.79 -0.66 0.62 0.95 -0.85 0.00 0.00 174.74 175.59 1yic s THR 19 N -3.53 0.00 -0.31 1.30 -4.23 -1.26 -4.39 115.64 103.22 1yic s THR 19 Ca 0.36 -1.22 0.18 0.00 -1.18 0.00 0.00 61.69 59.84 1yic s THR 19 Cb 0.04 -2.32 0.47 0.00 1.34 0.00 0.00 72.50 72.03 1yic s THR 19 CO 0.21 0.00 1.03 0.52 -0.54 0.00 0.00 174.62 175.84 1yic n VAL 20 N -0.46 1.24 -0.05 2.29 0.31 -1.26 -1.40 118.33 119.00 1yic n VAL 20 Ca -0.03 -3.18 0.12 0.00 -0.01 0.00 0.00 64.34 61.23 1yic n VAL 20 Cb 0.60 0.68 0.27 0.00 -0.91 0.00 0.00 33.84 34.49 1yic n VAL 20 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1yic n GLU 21 N -0.30 2.63 -1.58 5.55 4.71 -1.26 -4.69 120.64 125.70 1yic n GLU 21 Ca 0.12 -2.49 -0.00 0.00 -0.01 0.00 0.00 57.16 54.77 1yic n GLU 21 Cb 0.81 -1.54 -0.00 0.00 -1.01 0.00 0.00 31.44 29.69 1yic n GLU 21 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1yic n LYS 22 N 1.58 -0.29 -3.82 3.49 4.81 -1.26 -4.48 118.16 118.19 1yic n LYS 22 Ca 0.22 0.69 -0.28 0.00 -0.87 0.00 0.00 58.31 58.07 1yic n LYS 22 Cb 0.62 -1.29 0.04 0.00 0.02 0.00 0.00 35.03 34.42 1yic n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yic n GLY 23 N 0.10 -0.51 3.44 3.14 0.00 -1.26 -4.98 105.19 105.11 1yic n GLY 23 Ca -0.02 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.34 1.52 0.00 -0.02 0.00 -1.26 -4.81 107.32 99.41 1yic s GLY 24 Ca 0.63 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1yic s GLY 24 CO 0.80 0.57 0.25 -1.55 0.00 0.00 0.00 173.10 173.17 1yic n PRO 25 N -5.13 0.29 0.00 2.90 -0.04 -1.26 -4.68 135.00 127.08 1yic n PRO 25 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1yic n PRO 25 Cb 0.55 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1yic n PRO 25 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1yic n HIS 26 N -0.30 0.00 0.00 0.54 8.25 -1.26 -4.91 115.22 117.54 1yic n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1yic n HIS 26 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 0.00 0.00 0.03 -0.41 5.02 -1.26 -4.14 118.16 117.41 1yic n LYS 27 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1yic n LYS 27 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 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 1.00 -5.87 -0.18 2.07 -1.53 -3.45 116.25 108.28 1yic h VAL 28 Ca 0.00 -1.22 -0.44 0.00 0.82 0.00 0.00 66.70 65.86 1yic h VAL 28 Cb 0.00 1.68 0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1yic h VAL 28 CO 0.00 0.26 0.03 0.61 0.02 0.00 0.00 177.57 178.49 1yic n GLY 29 N 0.62 1.27 3.84 2.17 0.00 0.55 -5.04 105.19 108.58 1yic n GLY 29 Ca -0.08 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 1yic n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yic s PRO 30 N -4.70 4.10 0.46 1.61 0.04 -1.26 -4.53 135.00 130.72 1yic s PRO 30 Ca 0.59 0.86 -0.24 0.00 0.04 0.00 0.00 61.00 62.26 1yic s PRO 30 Cb -0.04 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 1yic s PRO 30 CO 0.39 0.08 1.15 0.09 0.04 0.00 0.00 177.00 178.75 1yic n ASN 31 N -0.46 1.91 -2.95 6.66 5.03 -1.26 -4.66 115.26 119.53 1yic n ASN 31 Ca 0.05 1.03 -0.36 0.00 0.87 0.00 0.00 54.58 56.17 1yic n ASN 31 Cb 0.53 -1.44 0.02 0.00 -1.02 0.00 0.00 39.78 37.87 1yic n ASN 31 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1yic n LEU 32 N 0.06 6.54 0.00 3.41 4.77 -0.50 -4.91 117.00 126.37 1yic n LEU 32 Ca 0.09 -5.11 0.00 0.00 -0.03 0.00 0.00 56.01 50.96 1yic n LEU 32 Cb 0.41 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1yic n LEU 32 CO 0.56 1.98 0.00 0.00 -1.33 0.00 0.00 177.39 178.61 1yic n HIS 33 N -0.41 0.00 -1.01 -1.77 1.44 -1.26 -4.10 115.22 108.11 1yic n HIS 33 Ca 0.47 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.85 1yic n HIS 33 Cb 0.35 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.43 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 0.00 3.08 0.06 -1.39 0.00 -1.26 -4.59 105.19 101.09 1yic n GLY 34 Ca 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 3.86 1.35 -1.43 -0.61 2.10 -1.90 -3.37 117.51 117.50 1yic h ILE 35 Ca 0.50 -1.04 -0.39 0.00 1.08 0.00 0.00 64.86 65.00 1yic h ILE 35 Cb 0.40 2.02 -0.03 0.00 -1.09 0.00 0.00 36.82 38.12 1yic h ILE 35 CO 1.70 0.27 1.10 -0.36 -1.08 0.00 0.00 178.15 179.79 1yic s PHE 36 N -4.46 1.59 0.00 2.19 0.08 -1.26 -1.18 117.98 114.94 1yic s PHE 36 Ca -0.15 0.94 0.00 0.00 0.12 0.00 0.00 56.93 57.83 1yic s PHE 36 Cb 0.02 -3.96 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 1yic s PHE 36 CO 0.68 -2.11 0.00 0.41 -0.10 0.00 0.00 175.22 174.10 1yic n GLY 37 N 6.17 1.15 3.76 4.36 0.00 -1.23 -5.07 105.19 114.34 1yic n GLY 37 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 2.17 0.11 1.61 1.04 -0.32 -4.99 118.95 118.58 1yic s ARG 38 Ca 0.00 -2.11 0.04 0.00 -1.04 0.00 0.00 55.73 52.62 1yic s ARG 38 Cb 0.00 -1.80 -0.04 0.00 -2.04 0.00 0.00 34.95 31.08 1yic s ARG 38 CO 0.00 -0.28 0.09 -1.01 -0.04 0.00 0.00 175.30 174.06 1yic s HIS 39 N -2.74 3.15 -1.21 5.89 3.76 -1.26 -1.91 115.29 120.97 1yic s HIS 39 Ca 0.27 0.03 -0.21 0.00 -0.15 0.00 0.00 55.06 55.00 1yic s HIS 39 Cb 0.03 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 32.16 1yic s HIS 39 CO 0.15 0.52 1.79 0.45 -0.85 0.00 0.00 174.74 176.80 1yic s SER 40 N -2.67 6.08 0.00 1.40 0.15 0.13 -3.06 113.70 115.73 1yic s SER 40 Ca 0.30 -1.97 0.00 0.00 0.70 0.00 0.00 55.95 54.98 1yic s SER 40 Cb -0.11 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1yic s SER 40 CO 0.22 -1.95 0.00 0.61 1.20 0.00 0.00 173.24 173.32 1yic n GLY 41 N 5.79 0.00 0.10 9.45 0.00 -1.26 -2.86 105.19 116.40 1yic n GLY 41 Ca 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 0.52 0.00 1.61 1.13 -1.17 -4.85 117.38 114.62 1yic n GLN 42 Ca 0.00 0.42 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1yic n GLN 42 Cb 0.00 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.74 1yic n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yic n ALA 43 N -3.87 0.00 -2.54 -1.58 0.00 -1.26 -4.60 120.51 106.66 1yic n ALA 43 Ca -0.24 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.18 1yic n ALA 43 Cb 0.54 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.06 1yic n ALA 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yic n GLU 44 N 4.75 1.03 0.00 0.00 0.28 -1.26 -4.95 120.64 120.50 1yic n GLU 44 Ca 0.00 -1.61 0.00 0.00 -0.16 0.00 0.00 57.16 55.39 1yic n GLU 44 Cb 0.00 0.07 0.00 0.00 1.43 0.00 0.00 31.44 32.94 1yic n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yic n GLY 45 N -0.91 0.95 3.37 -1.84 0.00 -1.26 -5.12 105.19 100.37 1yic n GLY 45 Ca -0.14 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.49 -3.80 1.61 9.36 -1.26 -5.02 117.16 116.56 1yic n TYR 46 Ca 0.00 0.20 -0.30 0.00 3.32 0.00 0.00 57.90 61.12 1yic n TYR 46 Cb 0.00 -1.72 -0.14 0.00 -0.63 0.00 0.00 39.34 36.85 1yic n TYR 46 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1yic s SER 47 N -1.96 4.09 0.94 2.98 0.15 -1.26 -4.98 113.70 113.67 1yic s SER 47 Ca 0.56 -2.10 -0.12 0.00 0.70 0.00 0.00 55.95 54.99 1yic s SER 47 Cb -0.19 -1.11 0.16 0.00 -1.71 0.00 0.00 66.02 63.17 1yic s SER 47 CO 0.67 -0.36 1.09 -0.31 1.20 0.00 0.00 173.24 175.54 1yic s TYR 48 N 1.01 2.16 0.77 3.44 1.51 -1.26 -5.05 117.35 119.93 1yic s TYR 48 Ca 0.13 1.19 -0.11 0.00 -1.01 0.00 0.00 57.07 57.27 1yic s TYR 48 Cb -0.20 -3.19 0.05 0.00 -0.11 0.00 0.00 41.96 38.51 1yic s TYR 48 CO -0.13 -2.66 1.09 -0.08 -1.11 0.00 0.00 175.55 172.66 1yic s THR 49 N -2.90 3.38 0.32 -0.71 -1.32 -1.26 -4.90 115.64 108.25 1yic s THR 49 Ca 0.64 0.45 0.10 0.00 -1.21 0.00 0.00 61.69 61.67 1yic s THR 49 Cb -0.19 -2.96 0.32 0.00 -1.51 0.00 0.00 72.50 68.15 1yic s THR 49 CO 0.58 -0.58 1.69 0.44 -2.21 0.00 0.00 174.62 174.54 1yic h ASP 50 N -1.10 0.54 0.73 8.08 5.19 -1.96 -2.04 116.42 125.85 1yic h ASP 50 Ca -0.44 0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.10 1yic h ASP 50 Cb 1.23 0.10 0.01 0.00 0.18 0.00 0.00 39.33 40.85 1yic h ASP 50 CO 0.52 -0.02 -0.35 0.00 -3.12 0.00 0.00 179.24 176.27 1yic h ALA 51 N 1.78 -0.98 -0.14 3.45 0.00 -1.89 0.13 119.26 121.61 1yic h ALA 51 Ca 0.67 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.40 1yic h ALA 51 Cb 1.37 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 1yic h ALA 51 CO -0.54 -0.98 -0.35 -0.97 0.00 0.00 0.00 179.25 176.40 1yic h ASN 52 N -1.12 -1.09 -0.24 0.00 -1.24 -1.83 0.27 115.58 110.33 1yic h ASN 52 Ca -0.10 0.16 0.06 0.00 0.71 0.00 0.00 56.30 57.13 1yic h ASN 52 Cb 0.77 0.46 -0.07 0.00 0.73 0.00 0.00 38.32 40.22 1yic h ASN 52 CO 0.16 -0.38 -0.23 0.40 -1.29 0.00 0.00 177.43 176.10 1yic h ILE 53 N -0.42 0.41 0.00 2.57 2.04 -1.27 0.16 117.51 121.00 1yic h ILE 53 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1yic h ILE 53 Cb 0.57 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1yic h ILE 53 CO -0.37 0.00 -0.24 0.50 0.00 0.00 0.00 178.15 178.04 1yic h LYS 54 N -0.24 0.00 0.86 2.37 1.63 -0.35 -2.90 116.57 117.94 1yic h LYS 54 Ca 0.14 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1yic h LYS 54 Cb 0.45 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1yic h LYS 54 CO -0.38 0.24 -0.42 -0.22 -3.45 0.00 0.00 179.45 175.22 1yic h LYS 55 N 0.00 -1.13 -6.44 1.90 1.63 0.14 -3.48 116.57 109.20 1yic h LYS 55 Ca -0.00 0.08 -0.43 0.00 -0.85 0.00 0.00 60.65 59.45 1yic h LYS 55 Cb 0.55 0.26 0.02 0.00 -0.60 0.00 0.00 32.23 32.46 1yic h LYS 55 CO 0.03 -0.75 -0.88 0.09 -3.45 0.00 0.00 179.45 174.49 1yic n ASN 56 N -5.17 -5.27 -4.65 4.20 3.02 -0.33 -4.94 115.26 102.13 1yic n ASN 56 Ca -0.14 -0.93 -0.36 0.00 -0.03 0.00 0.00 54.58 53.11 1yic n ASN 56 Cb 0.46 -2.70 -0.10 0.00 -0.61 0.00 0.00 39.78 36.84 1yic n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1yic s VAL 57 N -3.25 5.23 0.27 2.41 1.01 -1.26 -4.52 120.40 120.29 1yic s VAL 57 Ca 0.25 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1yic s VAL 57 Cb -0.11 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 32.74 1yic s VAL 57 CO 0.88 0.37 1.60 -0.22 0.00 0.00 0.00 175.10 177.74 1yic s LEU 58 N 0.91 4.35 -0.46 3.92 2.96 -1.26 0.17 118.68 129.27 1yic s LEU 58 Ca 0.07 2.89 -0.21 0.00 -0.22 0.00 0.00 54.13 56.66 1yic s LEU 58 Cb -0.13 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.96 1yic s LEU 58 CO 0.03 -0.90 0.71 0.26 -1.32 0.00 0.00 176.35 175.13 1yic s TRP 59 N 0.26 3.02 0.30 5.38 0.23 -0.80 -4.75 118.94 122.58 1yic s TRP 59 Ca 0.65 -0.06 0.10 0.00 -2.03 0.00 0.00 56.10 54.76 1yic s TRP 59 Cb -0.47 -3.53 -0.05 0.00 0.03 0.00 0.00 33.47 29.45 1yic s TRP 59 CO 0.44 -0.97 -0.04 -0.51 0.96 0.00 0.00 176.95 176.82 1yic s ASP 60 N 2.21 4.17 0.31 2.95 1.01 -1.26 -3.47 116.67 122.60 1yic s ASP 60 Ca 0.24 -0.88 0.03 0.00 0.71 0.00 0.00 52.55 52.66 1yic s ASP 60 Cb -0.14 -0.59 0.63 0.00 1.01 0.00 0.00 42.92 43.83 1yic s ASP 60 CO 0.19 -0.09 1.87 -0.33 0.21 0.00 0.00 175.17 177.02 1yic h GLU 61 N 1.94 0.88 0.27 8.23 5.08 -1.97 0.20 114.58 129.22 1yic h GLU 61 Ca -0.43 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1yic h GLU 61 Cb 1.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1yic h GLU 61 CO 0.63 0.58 -0.13 -0.91 -1.00 0.00 0.00 179.01 178.18 1yic h ASN 62 N 0.91 -0.31 0.03 1.42 4.21 -1.91 -3.03 115.58 116.91 1yic h ASN 62 Ca 0.45 0.01 0.02 0.00 1.21 0.00 0.00 56.30 58.00 1yic h ASN 62 Cb 0.47 0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.72 1yic h ASN 62 CO -0.21 -0.17 -0.22 -1.13 -1.29 0.00 0.00 177.43 174.41 1yic h ASN 63 N -0.46 -0.62 -0.81 5.81 -1.24 -1.84 -2.09 115.58 114.32 1yic h ASN 63 Ca -0.04 0.08 0.12 0.00 0.71 0.00 0.00 56.30 57.18 1yic h ASN 63 Cb 0.28 0.25 -0.13 0.00 0.73 0.00 0.00 38.32 39.45 1yic h ASN 63 CO 0.06 -0.29 -0.40 -0.03 -1.29 0.00 0.00 177.43 175.48 1yic h MET 64 N -0.36 -0.09 -0.14 6.67 4.05 -0.74 -0.60 114.93 123.73 1yic h MET 64 Ca 0.05 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 1yic h MET 64 Cb 0.42 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.18 1yic h MET 64 CO -0.17 -0.06 -0.39 1.03 0.23 0.00 0.00 176.91 177.55 1yic h SER 65 N -0.09 -1.21 -0.46 1.39 0.87 -1.25 0.14 113.55 112.94 1yic h SER 65 Ca 0.27 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 61.03 1yic h SER 65 Cb 0.56 0.50 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1yic h SER 65 CO -0.85 -0.40 0.23 1.05 -0.53 0.00 0.00 176.83 176.33 1yic h GLU 66 N -0.45 0.45 -0.09 2.24 4.11 -1.01 -2.04 114.58 117.79 1yic h GLU 66 Ca 0.09 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.53 1yic h GLU 66 Cb 0.60 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1yic h GLU 66 CO -0.39 0.30 -0.23 1.88 0.07 0.00 0.00 179.01 180.64 1yic h TYR 67 N 0.46 -0.61 0.00 2.06 0.05 -0.61 0.22 116.97 118.54 1yic h TYR 67 Ca 0.20 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.01 1yic h TYR 67 Cb 0.10 0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1yic h TYR 67 CO -0.10 -0.31 0.00 1.28 -1.05 0.00 0.00 178.16 177.98 1yic n LEU 68 N -5.36 1.02 -0.05 3.88 4.77 0.43 -0.57 117.00 121.12 1yic n LEU 68 Ca -0.03 -0.51 -0.01 0.00 -0.03 0.00 0.00 56.01 55.42 1yic n LEU 68 Cb 0.27 -0.36 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1yic n LEU 68 CO 0.20 0.22 -0.89 0.41 -1.33 0.00 0.00 177.39 175.99 1yic n THR 69 N 0.25 0.65 -2.72 -5.08 -1.04 0.06 -0.63 114.28 105.77 1yic n THR 69 Ca 0.00 -0.56 -0.07 0.00 -2.04 0.00 0.00 64.05 61.37 1yic n THR 69 Cb 0.22 -0.30 0.08 0.00 -1.82 0.00 0.00 70.33 68.50 1yic n THR 69 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1yic n ASN 70 N -2.39 -2.33 -0.95 8.00 2.85 0.26 -4.51 115.26 116.20 1yic n ASN 70 Ca -0.17 -3.13 0.00 0.00 -0.11 0.00 0.00 54.58 51.17 1yic n ASN 70 Cb 0.79 1.68 0.00 0.00 1.24 0.00 0.00 39.78 43.48 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 1.02 0.30 0.00 1.20 -0.04 -0.36 -2.37 135.00 134.76 1yic n PRO 71 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1yic n PRO 71 Cb 0.68 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.80 0.00 -0.10 0.54 4.81 -1.26 -0.41 118.16 122.53 1yic n LYS 73 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1yic n LYS 73 Cb 0.14 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.16 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 0.72 -3.41 5.64 5.03 -1.85 -3.30 116.97 119.80 1yic h TYR 74 Ca 0.00 -0.17 -0.73 0.00 2.58 0.00 0.00 58.73 60.41 1yic h TYR 74 Cb 0.00 -0.17 -0.33 0.00 1.55 0.00 0.00 36.73 37.78 1yic h TYR 74 CO 0.00 0.84 0.00 0.42 -1.32 0.00 0.00 178.16 178.11 1yic s ILE 75 N -4.65 4.69 -0.96 1.81 1.01 0.45 -5.02 121.20 118.53 1yic s ILE 75 Ca -0.13 -3.65 -0.25 0.00 0.00 0.00 0.00 60.65 56.63 1yic s ILE 75 Cb 0.09 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 1yic s ILE 75 CO 0.80 -1.09 2.04 -2.16 0.00 0.00 0.00 174.94 174.53 1yic s PRO 76 N -1.17 2.24 0.00 2.79 0.04 -1.25 -0.73 135.00 136.92 1yic s PRO 76 Ca 0.27 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1yic s PRO 76 Cb -0.09 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1yic s PRO 76 CO -0.11 -3.91 0.00 0.41 0.04 0.00 0.00 177.00 173.43 1yic n GLY 77 N 6.54 0.73 3.62 0.56 0.00 -1.26 -4.86 105.19 110.53 1yic n GLY 77 Ca 0.43 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.95 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 0.10 -0.16 2.61 5.66 0.09 -4.83 114.28 117.75 1yic n THR 78 Ca 0.00 -0.03 -0.12 0.00 -3.05 0.00 0.00 64.05 60.85 1yic n THR 78 Cb 0.00 -1.14 0.09 0.00 -1.55 0.00 0.00 70.33 67.74 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 2.80 1.65 -2.44 1.09 0.00 -1.26 -4.72 118.16 115.28 1yic n LYS 79 Ca 0.17 -1.56 -0.38 0.00 -0.00 0.00 0.00 58.31 56.54 1yic n LYS 79 Cb 0.24 -1.61 -0.03 0.00 -0.00 0.00 0.00 35.03 33.63 1yic n LYS 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1yic s MET 80 N -1.71 3.46 -0.08 -1.58 1.75 -1.26 -4.88 119.30 115.01 1yic s MET 80 Ca 0.29 -1.32 -0.06 0.00 -1.25 0.00 0.00 55.69 53.36 1yic s MET 80 Cb 0.25 -5.37 -0.24 0.00 2.84 0.00 0.00 34.83 32.30 1yic s MET 80 CO 0.06 -2.59 3.40 0.00 -0.65 0.00 0.00 175.02 175.24 1yic n ALA 81 N 10.03 6.11 -0.50 4.11 0.00 -1.26 -4.69 120.51 134.30 1yic n ALA 81 Ca 0.41 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1yic n ALA 81 Cb 0.48 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1yic n ALA 81 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yic n PHE 82 N 2.59 0.00 0.00 0.00 7.35 -1.26 -5.07 117.46 121.07 1yic n PHE 82 Ca 0.42 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1yic n PHE 82 Cb 0.83 -0.25 0.00 0.00 0.35 0.00 0.00 39.48 40.41 1yic n PHE 82 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yic n GLY 83 N 1.61 0.32 0.00 7.13 0.00 -1.26 -5.08 105.19 107.91 1yic n GLY 83 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1yic n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yic n GLY 84 N 0.00 0.74 3.35 -0.02 0.00 -1.26 -4.46 105.19 103.54 1yic n GLY 84 Ca 0.00 -0.64 -0.59 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 0.70 0.06 0.99 4.77 0.20 -4.72 117.00 119.01 1yic n LEU 85 Ca 0.00 1.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.93 1yic n LEU 85 Cb 0.00 -0.82 -0.09 0.00 -2.33 0.00 0.00 43.42 40.19 1yic n LEU 85 CO 0.00 -1.12 0.55 0.07 -1.33 0.00 0.00 177.39 175.56 1yic h LYS 86 N 3.91 -0.18 -6.56 3.23 -0.00 -1.88 -3.40 116.57 111.69 1yic h LYS 86 Ca -0.43 0.01 -0.60 0.00 -0.00 0.00 0.00 60.65 59.64 1yic h LYS 86 Cb 1.27 0.04 0.09 0.00 -0.00 0.00 0.00 32.23 33.64 1yic h LYS 86 CO 0.79 0.22 0.43 1.63 -0.00 0.00 0.00 179.45 182.52 1yic n LYS 87 N -4.97 1.76 -0.06 0.07 5.02 -1.26 -4.96 118.16 113.77 1yic n LYS 87 Ca -0.09 0.62 -0.02 0.00 -2.02 0.00 0.00 58.31 56.81 1yic n LYS 87 Cb 0.25 -2.18 -0.01 0.00 -0.02 0.00 0.00 35.03 33.08 1yic n LYS 87 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1yic h GLU 88 N 3.24 0.00 -0.15 1.97 9.09 -1.99 -3.21 114.58 123.53 1yic h GLU 88 Ca -0.44 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 58.93 1yic h GLU 88 Cb 1.30 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.40 1yic h GLU 88 CO 0.69 0.04 -0.09 -0.22 0.05 0.00 0.00 179.01 179.47 1yic h LYS 89 N -1.00 0.33 -0.40 1.06 3.64 -1.98 0.55 116.57 118.77 1yic h LYS 89 Ca -0.00 -0.15 0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1yic h LYS 89 Cb 0.19 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 1yic h LYS 89 CO -0.00 0.67 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.31 1yic h ASP 90 N -0.02 -0.37 0.39 4.20 5.19 -1.99 0.15 116.42 123.97 1yic h ASP 90 Ca 0.03 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1yic h ASP 90 Cb 0.58 0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1yic h ASP 90 CO 0.03 -0.13 -0.19 -0.09 -3.12 0.00 0.00 179.24 175.74 1yic h ARG 91 N 0.00 -0.50 -0.75 3.56 2.43 -1.52 0.40 114.38 118.00 1yic h ARG 91 Ca 0.19 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.55 1yic h ARG 91 Cb 0.29 0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 29.81 1yic h ARG 91 CO -0.41 -0.29 -0.14 -0.97 -1.51 0.00 0.00 179.97 176.65 1yic h ASN 92 N -0.59 -0.62 -0.51 -3.80 -1.24 -0.54 -0.73 115.58 107.55 1yic h ASN 92 Ca -0.05 0.22 0.01 0.00 0.71 0.00 0.00 56.30 57.18 1yic h ASN 92 Cb 0.44 0.44 -0.03 0.00 0.73 0.00 0.00 38.32 39.90 1yic h ASN 92 CO 0.09 -0.24 0.34 0.44 -1.29 0.00 0.00 177.43 176.77 1yic h ASP 93 N 0.02 0.58 -0.83 1.15 5.19 -0.42 -2.80 116.42 119.30 1yic h ASP 93 Ca 0.37 -0.01 0.16 0.00 -0.62 0.00 0.00 57.03 56.93 1yic h ASP 93 Cb 0.59 -0.14 -0.16 0.00 0.18 0.00 0.00 39.33 39.81 1yic h ASP 93 CO -0.75 0.42 -0.24 0.25 -3.12 0.00 0.00 179.24 175.80 1yic h LEU 94 N 0.68 -0.87 -0.62 1.55 5.85 0.64 0.72 115.31 123.27 1yic h LEU 94 Ca 0.19 0.25 0.08 0.00 0.84 0.00 0.00 57.88 59.24 1yic h LEU 94 Cb -0.07 0.54 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1yic h LEU 94 CO -0.05 -0.28 0.28 0.40 -0.34 0.00 0.00 178.44 178.46 1yic h ILE 95 N -0.02 0.86 -0.44 4.05 5.03 -1.33 -0.97 117.51 124.70 1yic h ILE 95 Ca 0.38 -0.18 -0.04 0.00 -0.12 0.00 0.00 64.86 64.91 1yic h ILE 95 Cb 0.61 0.30 -0.02 0.00 -3.03 0.00 0.00 36.82 34.68 1yic h ILE 95 CO -0.86 0.09 0.12 0.71 -0.68 0.00 0.00 178.15 177.54 1yic h THR 96 N 0.51 1.23 0.27 -0.27 1.35 -0.89 0.11 112.91 115.22 1yic h THR 96 Ca 0.30 -0.77 0.01 0.00 -0.55 0.00 0.00 66.41 65.39 1yic h THR 96 Cb 0.29 0.89 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 1yic h THR 96 CO -0.24 0.28 -0.41 0.22 -0.25 0.00 0.00 175.52 175.11 1yic h TYR 97 N 0.58 -1.14 -0.74 4.73 3.20 -1.08 -2.52 116.97 120.00 1yic h TYR 97 Ca 0.14 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.16 1yic h TYR 97 Cb 0.29 0.46 -0.09 0.00 1.54 0.00 0.00 36.73 38.94 1yic h TYR 97 CO 0.02 -0.54 0.32 -0.07 -1.64 0.00 0.00 178.16 176.25 1yic h LEU 98 N -0.75 0.35 -0.42 2.82 3.38 -0.56 0.71 115.31 120.85 1yic h LEU 98 Ca -0.01 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1yic h LEU 98 Cb 0.71 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 1yic h LEU 98 CO -0.15 0.16 -0.43 0.50 0.09 0.00 0.00 178.44 178.61 1yic h LYS 99 N 0.50 -0.31 -0.31 1.13 1.63 -0.52 0.72 116.57 119.40 1yic h LYS 99 Ca 0.39 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.19 1yic h LYS 99 Cb 0.54 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1yic h LYS 99 CO -0.36 -0.21 0.10 -0.22 -3.45 0.00 0.00 179.45 175.31 1yic h LYS 100 N -0.32 0.49 -0.27 1.90 3.11 -0.65 0.41 116.57 121.24 1yic h LYS 100 Ca 0.14 -0.11 0.06 0.00 -2.81 0.00 0.00 60.65 57.94 1yic h LYS 100 Cb 0.58 -0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 31.67 1yic h LYS 100 CO -0.58 0.53 -0.25 0.00 -2.81 0.00 0.00 179.45 176.34 1yic h ALA 101 N 0.93 -0.13 0.05 5.00 0.00 -0.17 -2.49 119.26 122.45 1yic h ALA 101 Ca 0.10 0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.85 1yic h ALA 101 Cb 0.25 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1yic h ALA 101 CO -0.00 -0.67 -1.12 0.66 0.00 0.00 0.00 179.25 178.12 1yic h SER 102 N -0.25 0.17 0.00 0.00 4.64 -0.89 -3.49 113.55 113.73 1yic h SER 102 Ca 0.14 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1yic h SER 102 Cb 0.47 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1yic h SER 102 CO -0.41 1.15 0.00 1.21 -0.87 0.00 0.00 176.83 177.91