#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 2.08 -0.84 -2.82 -0.58 -1.26 -4.83 120.64 112.39 1yic n GLU -4 Ca 0.00 0.65 -0.35 0.00 -0.42 0.00 0.00 57.16 57.04 1yic n GLU -4 Cb 0.00 -3.02 0.10 0.00 -0.57 0.00 0.00 31.44 27.96 1yic n GLU -4 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1yic n PHE -3 N 9.92 -2.10 -1.06 -0.32 -1.74 -1.26 -4.79 117.46 116.11 1yic n PHE -3 Ca 0.28 0.26 -0.18 0.00 -0.56 0.00 0.00 57.45 57.25 1yic n PHE -3 Cb 0.39 -1.55 -0.13 0.00 1.52 0.00 0.00 39.48 39.71 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 -0.05 2.39 0.00 3.97 3.00 -1.26 -4.93 118.16 121.28 1yic n LYS -2 Ca 0.01 -1.28 0.00 0.00 -0.00 0.00 0.00 58.31 57.04 1yic n LYS -2 Cb 0.62 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 33.47 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 2.77 0.00 0.00 3.14 0.00 -1.26 -5.00 120.51 120.16 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 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.62 3.15 0.00 0.00 -1.25 -4.77 105.19 101.70 1yic n GLY 1 Ca 0.00 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 5.61 0.41 1.61 0.01 0.23 -4.88 113.70 116.69 1yic s SER 2 Ca 0.00 -2.90 0.21 0.00 1.31 0.00 0.00 55.95 54.57 1yic s SER 2 Cb 0.00 -1.94 1.17 0.00 0.21 0.00 0.00 66.02 65.47 1yic s SER 2 CO 0.00 -0.40 1.76 0.00 0.41 0.00 0.00 173.24 175.02 1yic h ALA 3 N 7.10 2.35 0.00 1.44 0.00 -1.85 -3.13 119.26 125.17 1yic h ALA 3 Ca 0.03 0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 1yic h ALA 3 Cb 0.96 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1yic h ALA 3 CO 0.73 -0.77 1.69 1.17 0.00 0.00 0.00 179.25 182.06 1yic n LYS 4 N -4.59 2.04 0.00 0.00 0.00 -1.26 -1.84 118.16 112.50 1yic n LYS 4 Ca 0.26 -1.25 0.00 0.00 0.00 0.00 0.00 58.31 57.32 1yic n LYS 4 Cb 0.96 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.73 1yic n LYS 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1yic n LYS 5 N 3.47 0.00 -0.31 1.64 4.81 -1.23 -4.97 118.16 121.57 1yic n LYS 5 Ca 0.43 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 58.01 1yic n LYS 5 Cb 0.35 0.00 0.32 0.00 0.02 0.00 0.00 35.03 35.72 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 1.58 -0.10 3.14 0.00 -1.30 -0.25 103.07 106.14 1yic h GLY 6 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1yic h GLY 6 CO 0.00 -0.27 -0.47 0.00 0.00 0.00 0.00 176.54 175.80 1yic h ALA 7 N 1.72 -0.67 -0.74 3.60 0.00 -1.74 0.67 119.26 122.10 1yic h ALA 7 Ca 0.57 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 1yic h ALA 7 Cb 1.09 0.89 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 1yic h ALA 7 CO -0.53 -0.98 0.34 1.79 0.00 0.00 0.00 179.25 179.87 1yic h THR 8 N -0.50 1.24 -0.09 0.00 1.35 -1.40 -0.91 112.91 112.61 1yic h THR 8 Ca 0.07 -0.69 0.04 0.00 -0.55 0.00 0.00 66.41 65.28 1yic h THR 8 Cb 0.64 0.31 -0.06 0.00 -1.73 0.00 0.00 68.15 67.31 1yic h THR 8 CO -0.44 0.29 -0.38 -0.07 -0.25 0.00 0.00 175.52 174.67 1yic h LEU 9 N 1.05 -1.16 -1.09 3.87 -0.00 -0.66 -1.35 115.31 115.97 1yic h LEU 9 Ca 0.25 0.16 0.12 0.00 -0.00 0.00 0.00 57.88 58.40 1yic h LEU 9 Cb 0.13 0.47 -0.08 0.00 -0.00 0.00 0.00 40.66 41.19 1yic h LEU 9 CO -0.03 -0.41 0.61 0.15 -0.00 0.00 0.00 178.44 178.77 1yic h PHE 10 N -0.48 1.06 0.00 1.13 3.04 -0.05 0.58 116.94 122.23 1yic h PHE 10 Ca 0.07 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1yic h PHE 10 Cb 0.60 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1yic h PHE 10 CO -0.43 0.44 0.00 1.63 -2.02 0.00 0.00 178.31 177.93 1yic n LYS 11 N -4.58 0.12 -0.20 1.11 5.02 -0.42 -0.59 118.16 118.61 1yic n LYS 11 Ca 0.18 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 1yic n LYS 11 Cb 0.35 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1yic n LYS 11 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1yic n THR 12 N -2.16 0.06 -0.02 -0.18 5.66 0.13 -4.62 114.28 113.14 1yic n THR 12 Ca -0.01 -0.06 -0.03 0.00 -3.05 0.00 0.00 64.05 60.90 1yic n THR 12 Cb 0.03 0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 69.55 1yic n THR 12 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1yic n ARG 13 N -0.04 1.69 0.03 1.09 5.12 0.18 -4.98 116.66 119.76 1yic n ARG 13 Ca 0.00 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1yic n ARG 13 Cb 0.58 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 1yic n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1yic h LEU 15 N 0.00 0.00 -1.17 0.00 5.85 -1.20 0.23 115.31 119.02 1yic h LEU 15 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1yic h LEU 15 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1yic h LEU 15 CO 0.00 0.00 -0.16 0.06 -0.34 0.00 0.00 178.44 178.00 1yic h GLN 16 N 0.00 0.38 0.00 1.25 -0.00 -1.82 -3.18 115.11 111.75 1yic h GLN 16 Ca 0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.65 58.47 1yic h GLN 16 Cb 0.67 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 28.09 1yic h GLN 16 CO 0.00 0.54 -1.63 0.00 -0.00 0.00 0.00 178.83 177.74 1yic n HIS 18 N -2.08 0.11 0.00 0.00 8.25 0.11 -0.56 115.22 121.04 1yic n HIS 18 Ca -0.07 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 1yic n HIS 18 Cb 0.50 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1yic n HIS 18 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1yic n THR 19 N -0.18 0.00 -2.36 1.59 -2.24 -1.26 -4.31 114.28 105.51 1yic n THR 19 Ca -0.02 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 1yic n THR 19 Cb 0.10 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.27 1yic n THR 19 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1yic n VAL 20 N -1.72 -0.95 -4.03 2.28 3.14 -1.26 -4.88 118.33 110.91 1yic n VAL 20 Ca 0.00 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 1yic n VAL 20 Cb 0.00 -2.92 -0.03 0.00 -1.06 0.00 0.00 33.84 29.83 1yic n VAL 20 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1yic s GLU 21 N -4.98 3.19 0.00 1.45 8.01 -1.26 -4.50 118.70 120.60 1yic s GLU 21 Ca 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 54.97 54.07 1yic s GLU 21 Cb 0.00 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 27.09 1yic s GLU 21 CO 0.00 0.41 1.20 0.36 0.01 0.00 0.00 175.26 177.24 1yic n LYS 22 N -1.30 0.69 0.00 1.61 2.85 -1.26 -3.22 118.16 117.52 1yic n LYS 22 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1yic n LYS 22 Cb 0.57 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.80 1yic n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1yic n GLY 23 N 1.40 0.00 3.65 2.58 0.00 -1.26 -5.13 105.19 106.43 1yic n GLY 23 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 1.99 0.00 -0.02 0.00 -1.20 -4.98 107.32 103.12 1yic s GLY 24 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 43.83 1yic s GLY 24 CO 0.00 0.52 2.85 -1.55 0.00 0.00 0.00 173.10 174.92 1yic n PRO 25 N 4.45 1.52 -2.63 2.90 -0.04 -1.26 -4.77 135.00 135.17 1yic n PRO 25 Ca -0.14 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1yic n PRO 25 Cb 0.52 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.29 0.00 0.00 0.54 8.25 -1.26 -4.87 115.22 120.16 1yic n HIS 26 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1yic n HIS 26 Cb 0.71 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.82 1yic n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1yic n LYS 27 N -0.59 0.00 0.05 -0.41 2.85 -1.26 -4.66 118.16 114.14 1yic n LYS 27 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1yic n LYS 27 Cb 0.00 -0.12 -0.01 0.00 -0.65 0.00 0.00 35.03 34.24 1yic n LYS 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1yic h VAL 28 N 0.00 0.00 -2.22 0.58 2.07 -1.79 -3.47 116.25 111.42 1yic h VAL 28 Ca 0.00 -0.53 -0.45 0.00 0.82 0.00 0.00 66.70 66.54 1yic h VAL 28 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1yic h VAL 28 CO 0.00 0.00 -0.31 -0.83 0.02 0.00 0.00 177.57 176.45 1yic s GLY 29 N -2.74 1.43 0.44 2.17 0.00 0.27 -5.05 107.32 103.84 1yic s GLY 29 Ca -0.03 -1.24 -0.23 0.00 0.00 0.00 0.00 44.72 43.22 1yic s GLY 29 CO 0.09 -1.18 1.10 2.56 0.00 0.00 0.00 173.10 175.66 1yic s PRO 30 N -4.19 3.92 0.18 2.90 0.04 -1.26 -4.57 135.00 132.02 1yic s PRO 30 Ca 0.41 1.59 -0.33 0.00 0.04 0.00 0.00 61.00 62.72 1yic s PRO 30 Cb -0.09 -2.40 -0.14 0.00 0.04 0.00 0.00 34.50 31.91 1yic s PRO 30 CO 0.32 -0.37 1.55 0.09 0.04 0.00 0.00 177.00 178.63 1yic n ASN 31 N -0.41 3.10 -1.58 6.66 3.02 -1.26 -4.70 115.26 120.09 1yic n ASN 31 Ca 0.07 1.10 -0.10 0.00 -0.03 0.00 0.00 54.58 55.61 1yic n ASN 31 Cb 0.49 -1.44 0.05 0.00 -0.61 0.00 0.00 39.78 38.28 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 3.15 5.04 -4.69 3.41 4.77 -1.26 -4.75 117.00 122.66 1yic n LEU 32 Ca 0.16 -2.57 -0.42 0.00 -0.03 0.00 0.00 56.01 53.14 1yic n LEU 32 Cb 0.30 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1yic n LEU 32 CO 0.63 0.88 1.16 -1.38 -1.33 0.00 0.00 177.39 177.34 1yic s HIS 33 N -1.26 2.83 -1.64 -1.77 -3.43 -1.26 -1.76 115.29 107.00 1yic s HIS 33 Ca 0.22 0.73 -0.03 0.00 -0.80 0.00 0.00 55.06 55.18 1yic s HIS 33 Cb 0.18 -3.73 0.00 0.00 -1.43 0.00 0.00 32.58 27.60 1yic s HIS 33 CO 0.02 -2.75 0.32 0.41 -2.00 0.00 0.00 174.74 170.74 1yic n GLY 34 N 3.69 -0.51 0.00 -1.38 0.00 -1.26 -4.86 105.19 100.87 1yic n GLY 34 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.25 0.00 -4.10 -0.61 0.13 -0.72 -4.63 119.36 105.17 1yic n ILE 35 Ca -0.17 0.00 -0.33 0.00 -1.10 0.00 0.00 62.75 61.14 1yic n ILE 35 Cb 0.65 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.44 1yic n ILE 35 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1yic n PHE 36 N 0.00 -1.89 0.00 9.51 3.72 -1.25 -4.11 117.46 123.43 1yic n PHE 36 Ca 0.00 0.83 0.00 0.00 -0.05 0.00 0.00 57.45 58.23 1yic n PHE 36 Cb 0.00 -3.34 0.00 0.00 -0.94 0.00 0.00 39.48 35.20 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 -1.54 0.08 3.97 1.37 0.00 0.11 -4.71 105.19 104.47 1yic n GLY 37 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 2.17 0.53 1.61 0.52 -1.26 -4.72 118.95 117.80 1yic s ARG 38 Ca 0.00 -0.78 -0.05 0.00 -0.52 0.00 0.00 55.73 54.38 1yic s ARG 38 Cb 0.00 -2.37 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 1yic s ARG 38 CO 0.00 -1.08 0.84 -1.01 0.02 0.00 0.00 175.30 174.07 1yic s HIS 39 N -2.99 3.43 -1.06 -0.53 3.76 -1.26 -0.70 115.29 115.93 1yic s HIS 39 Ca 0.61 0.74 -0.24 0.00 -0.15 0.00 0.00 55.06 56.02 1yic s HIS 39 Cb -0.09 -2.49 -0.11 0.00 1.11 0.00 0.00 32.58 31.00 1yic s HIS 39 CO 0.42 -0.52 2.01 -1.54 -0.85 0.00 0.00 174.74 174.26 1yic s SER 40 N -4.19 4.68 0.00 1.40 1.04 0.96 -3.44 113.70 114.15 1yic s SER 40 Ca 0.50 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1yic s SER 40 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1yic s SER 40 CO 0.45 -3.36 0.00 0.61 0.98 0.00 0.00 173.24 171.92 1yic n GLY 41 N 6.22 0.00 2.24 7.32 0.00 -1.26 -3.45 105.19 116.26 1yic n GLY 41 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 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 0.78 -2.87 1.61 6.02 -1.22 -5.00 117.38 116.69 1yic n GLN 42 Ca 0.00 -3.13 -0.19 0.00 -0.01 0.00 0.00 57.00 53.67 1yic n GLN 42 Cb 0.00 -1.34 0.03 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.32 4.31 0.26 -1.58 0.00 -1.26 -4.90 121.76 117.28 1yic s ALA 43 Ca 0.36 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 1yic s ALA 43 Cb 0.22 -1.76 0.46 0.00 0.00 0.00 0.00 23.12 22.04 1yic s ALA 43 CO -0.11 -0.59 1.84 1.49 0.00 0.00 0.00 175.76 178.39 1yic h GLU 44 N 0.32 0.96 0.00 0.00 4.81 -1.89 -3.45 114.58 115.33 1yic h GLU 44 Ca -0.39 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1yic h GLU 44 Cb 1.29 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1yic h GLU 44 CO 0.46 0.64 0.00 0.41 -0.73 0.00 0.00 179.01 179.79 1yic n GLY 45 N -1.34 4.20 2.02 1.92 0.00 -1.26 -5.18 105.19 105.55 1yic n GLY 45 Ca 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.45 -3.45 1.61 9.36 -1.26 -4.85 117.16 117.11 1yic n TYR 46 Ca 0.00 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.97 1yic n TYR 46 Cb 0.00 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.59 1yic n TYR 46 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1yic s SER 47 N -2.49 2.58 0.93 2.98 0.01 -1.26 -5.12 113.70 111.33 1yic s SER 47 Ca 0.00 -1.66 -0.11 0.00 1.31 0.00 0.00 55.95 55.49 1yic s SER 47 Cb 0.00 -0.08 0.15 0.00 0.21 0.00 0.00 66.02 66.31 1yic s SER 47 CO 0.00 -0.34 1.12 -0.31 0.41 0.00 0.00 173.24 174.12 1yic s TYR 48 N 1.56 1.77 0.52 2.43 2.02 -1.26 -5.02 117.35 119.38 1yic s TYR 48 Ca 0.14 1.64 -0.19 0.00 -0.37 0.00 0.00 57.07 58.30 1yic s TYR 48 Cb -0.19 -3.25 -0.07 0.00 -0.40 0.00 0.00 41.96 38.05 1yic s TYR 48 CO -0.14 -2.78 1.04 0.95 -1.57 0.00 0.00 175.55 173.05 1yic s THR 49 N -2.68 3.82 0.39 -0.71 -4.23 -1.26 -4.86 115.64 106.11 1yic s THR 49 Ca 0.66 1.03 0.15 0.00 -1.18 0.00 0.00 61.69 62.35 1yic s THR 49 Cb -0.22 -3.44 0.37 0.00 1.34 0.00 0.00 72.50 70.55 1yic s THR 49 CO 0.59 -0.35 1.82 -0.78 -0.54 0.00 0.00 174.62 175.36 1yic h ASP 50 N 1.15 0.50 0.50 3.99 3.58 -1.95 0.12 116.42 124.32 1yic h ASP 50 Ca -0.48 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.00 1yic h ASP 50 Cb 1.22 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1yic h ASP 50 CO 0.59 0.18 -0.24 0.00 -2.88 0.00 0.00 179.24 176.88 1yic h ALA 51 N 1.61 -1.14 0.16 -0.78 0.00 -1.88 -2.07 119.26 115.16 1yic h ALA 51 Ca 0.52 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1yic h ALA 51 Cb 1.18 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1yic h ALA 51 CO -0.24 -1.09 -0.30 -0.97 0.00 0.00 0.00 179.25 176.64 1yic h ASN 52 N -0.70 -0.86 -0.06 0.00 -1.24 -1.53 0.17 115.58 111.36 1yic h ASN 52 Ca -0.07 0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.06 1yic h ASN 52 Cb 0.52 0.32 -0.06 0.00 0.73 0.00 0.00 38.32 39.83 1yic h ASN 52 CO 0.11 -0.40 -0.51 0.40 -1.29 0.00 0.00 177.43 175.74 1yic h ILE 53 N -0.55 0.00 -0.77 2.57 2.04 -0.84 -2.79 117.51 117.17 1yic h ILE 53 Ca 0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1yic h ILE 53 Cb 0.56 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1yic h ILE 53 CO -0.15 0.00 0.29 0.50 0.00 0.00 0.00 178.15 178.78 1yic h LYS 54 N -0.60 1.17 -4.28 2.37 3.64 -1.15 -3.15 116.57 114.58 1yic h LYS 54 Ca 0.02 -0.22 -0.68 0.00 -1.27 0.00 0.00 60.65 58.50 1yic h LYS 54 Cb 0.66 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1yic h LYS 54 CO -0.37 0.96 2.72 1.17 -2.27 0.00 0.00 179.45 181.66 1yic n LYS 55 N -4.28 2.26 -1.64 1.90 3.00 0.58 -4.91 118.16 115.07 1yic n LYS 55 Ca 0.07 -2.29 -0.29 0.00 -0.00 0.00 0.00 58.31 55.79 1yic n LYS 55 Cb 0.20 -3.15 -0.04 0.00 0.00 0.00 0.00 35.03 32.04 1yic n LYS 55 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1yic s ASN 56 N 4.05 4.39 -0.23 3.14 -0.87 -1.19 -4.61 114.94 119.63 1yic s ASN 56 Ca 0.52 0.59 -0.06 0.00 -1.57 0.00 0.00 52.86 52.34 1yic s ASN 56 Cb 0.14 -2.52 -0.02 0.00 -0.02 0.00 0.00 41.25 38.82 1yic s ASN 56 CO 0.01 -3.13 0.02 -0.69 -2.57 0.00 0.00 177.10 170.75 1yic s VAL 57 N 12.55 4.00 0.21 1.60 1.01 -1.26 -4.81 120.40 133.70 1yic s VAL 57 Ca 0.91 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1yic s VAL 57 Cb -0.15 -2.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 1yic s VAL 57 CO 0.18 0.38 1.41 -0.22 0.00 0.00 0.00 175.10 176.86 1yic s LEU 58 N 1.40 4.39 -0.43 3.92 2.96 -1.26 -0.03 118.68 129.63 1yic s LEU 58 Ca 0.05 2.55 -0.22 0.00 -0.22 0.00 0.00 54.13 56.30 1yic s LEU 58 Cb -0.15 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.95 1yic s LEU 58 CO 0.01 -0.66 0.70 0.26 -1.32 0.00 0.00 176.35 175.34 1yic s TRP 59 N 0.24 3.05 0.04 5.38 0.23 0.12 -4.55 118.94 123.45 1yic s TRP 59 Ca 0.60 0.07 -0.01 0.00 -2.03 0.00 0.00 56.10 54.73 1yic s TRP 59 Cb -0.40 -3.44 -0.04 0.00 0.03 0.00 0.00 33.47 29.62 1yic s TRP 59 CO 0.39 -0.89 -0.03 -0.51 0.96 0.00 0.00 176.95 176.88 1yic s ASP 60 N 2.03 0.44 0.43 2.95 1.01 -1.26 0.08 116.67 122.34 1yic s ASP 60 Ca 0.25 -0.90 0.22 0.00 0.71 0.00 0.00 52.55 52.84 1yic s ASP 60 Cb -0.13 0.18 1.21 0.00 1.01 0.00 0.00 42.92 45.18 1yic s ASP 60 CO 0.20 -0.54 1.79 -0.08 0.21 0.00 0.00 175.17 176.74 1yic h GLU 61 N 3.43 0.29 0.16 8.23 4.81 -1.95 0.44 114.58 129.99 1yic h GLU 61 Ca -0.34 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1yic h GLU 61 Cb 1.15 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1yic h GLU 61 CO 0.61 0.19 -0.08 -0.91 -0.73 0.00 0.00 179.01 178.10 1yic h ASN 62 N 0.30 -0.18 0.80 1.04 2.35 -1.96 -2.95 115.58 114.97 1yic h ASN 62 Ca 0.57 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.29 1yic h ASN 62 Cb 1.64 0.05 0.01 0.00 0.05 0.00 0.00 38.32 40.07 1yic h ASN 62 CO -0.22 -0.10 -0.38 -1.13 -1.65 0.00 0.00 177.43 173.94 1yic h ASN 63 N -0.26 -0.91 -0.85 5.81 -1.24 -1.58 -2.82 115.58 113.74 1yic h ASN 63 Ca -0.02 0.02 0.17 0.00 0.71 0.00 0.00 56.30 57.18 1yic h ASN 63 Cb 0.16 0.24 -0.16 0.00 0.73 0.00 0.00 38.32 39.29 1yic h ASN 63 CO 0.04 -0.63 -0.22 -0.03 -1.29 0.00 0.00 177.43 175.30 1yic h MET 64 N -1.12 -0.01 -0.85 6.67 4.05 -0.35 0.31 114.93 123.64 1yic h MET 64 Ca -0.11 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.44 1yic h MET 64 Cb 0.83 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.54 1yic h MET 64 CO 0.18 -0.00 0.46 0.77 0.23 0.00 0.00 176.91 178.55 1yic h SER 65 N -0.01 0.59 -0.18 1.39 0.02 -1.32 0.23 113.55 114.28 1yic h SER 65 Ca 0.40 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.37 1yic h SER 65 Cb 0.62 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1yic h SER 65 CO -0.87 0.27 -0.11 1.05 -1.14 0.00 0.00 176.83 176.03 1yic h GLU 66 N 0.68 0.38 0.32 3.45 4.11 -0.31 -2.63 114.58 120.59 1yic h GLU 66 Ca 0.45 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 59.70 1yic h GLU 66 Cb 0.58 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1yic h GLU 66 CO -0.33 0.71 -0.37 -0.92 0.07 0.00 0.00 179.01 178.17 1yic h TYR 67 N 0.06 -1.01 -0.52 2.06 3.20 -0.36 -3.03 116.97 117.38 1yic h TYR 67 Ca 0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1yic h TYR 67 Cb 0.61 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 1yic h TYR 67 CO 0.07 -0.51 0.28 -0.07 -1.64 0.00 0.00 178.16 176.29 1yic h LEU 68 N -0.73 0.63 -1.37 2.82 3.38 -0.59 0.28 115.31 119.72 1yic h LEU 68 Ca -0.02 -0.04 0.31 0.00 0.09 0.00 0.00 57.88 58.23 1yic h LEU 68 Cb 0.67 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1yic h LEU 68 CO -0.09 0.51 0.72 0.74 0.09 0.00 0.00 178.44 180.40 1yic h THR 69 N 0.71 0.40 -0.79 0.22 2.02 -1.34 0.12 112.91 114.26 1yic h THR 69 Ca 0.18 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 1yic h THR 69 Cb 0.02 0.08 -0.17 0.00 -1.74 0.00 0.00 68.15 66.34 1yic h THR 69 CO -0.03 0.06 -0.38 0.21 0.37 0.00 0.00 175.52 175.74 1yic s ASN 70 N -5.04 -1.18 0.00 4.18 3.84 0.84 -4.12 114.94 113.46 1yic s ASN 70 Ca -0.08 -1.12 0.00 0.00 0.21 0.00 0.00 52.86 51.87 1yic s ASN 70 Cb 0.27 1.53 0.00 0.00 -0.55 0.00 0.00 41.25 42.49 1yic s ASN 70 CO 0.80 -0.07 0.49 -0.81 -2.79 0.00 0.00 177.10 174.72 1yic n PRO 71 N 3.33 0.53 0.00 0.43 -0.04 -0.39 -1.96 135.00 136.90 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 0.58 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.67 0.00 -0.01 0.54 0.00 -1.26 -0.52 118.16 117.58 1yic n LYS 73 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.19 1yic n LYS 73 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.21 1yic n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1yic h TYR 74 N 0.00 0.11 -3.33 5.64 3.20 -1.72 -3.36 116.97 117.51 1yic h TYR 74 Ca 0.00 -0.01 -0.66 0.00 3.14 0.00 0.00 58.73 61.20 1yic h TYR 74 Cb 0.00 -0.03 -0.39 0.00 1.54 0.00 0.00 36.73 37.85 1yic h TYR 74 CO 0.00 0.21 -0.45 0.42 -1.64 0.00 0.00 178.16 176.70 1yic s ILE 75 N -5.64 3.28 -0.49 1.81 1.01 0.32 -5.06 121.20 116.43 1yic s ILE 75 Ca -0.14 -3.62 -0.27 0.00 0.00 0.00 0.00 60.65 56.62 1yic s ILE 75 Cb 0.06 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1yic s ILE 75 CO 0.68 -0.93 1.85 -2.16 0.00 0.00 0.00 174.94 174.38 1yic s PRO 76 N -0.77 2.90 0.00 2.79 0.04 -1.26 -0.93 135.00 137.77 1yic s PRO 76 Ca 0.21 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1yic s PRO 76 Cb -0.15 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1yic s PRO 76 CO -0.08 -2.39 0.00 0.41 0.04 0.00 0.00 177.00 174.99 1yic n GLY 77 N 5.59 0.98 3.65 0.56 0.00 -1.26 -4.84 105.19 109.86 1yic n GLY 77 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.44 2.60 0.63 2.61 5.66 -0.11 -4.85 114.28 120.37 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 -1.31 0.12 0.00 -1.55 0.00 0.00 70.33 67.60 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 0.01 2.07 -1.59 1.09 4.01 -1.26 -4.71 118.16 117.77 1yic n LYS 79 Ca 0.09 -0.98 -0.14 0.00 -0.51 0.00 0.00 58.31 56.77 1yic n LYS 79 Cb 0.40 -1.59 -0.11 0.00 -0.51 0.00 0.00 35.03 33.22 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 -1.60 1.23 -0.05 1.97 1.75 -1.26 -4.75 119.30 116.58 1yic s MET 80 Ca 0.17 -0.22 -0.03 0.00 -1.25 0.00 0.00 55.69 54.36 1yic s MET 80 Cb 0.12 -4.93 -0.12 0.00 2.84 0.00 0.00 34.83 32.74 1yic s MET 80 CO 0.07 -5.34 2.87 0.00 -0.65 0.00 0.00 175.02 171.98 1yic n ALA 81 N 19.65 5.42 -1.27 4.11 0.00 -1.26 -4.67 120.51 142.48 1yic n ALA 81 Ca 0.42 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1yic n ALA 81 Cb 0.46 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.91 0.00 0.00 0.00 7.35 -1.26 -5.07 117.46 120.38 1yic n PHE 82 Ca 0.26 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 1yic n PHE 82 Cb 0.72 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.55 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 4.10 -0.30 0.00 7.13 0.00 -1.26 -5.17 105.19 109.69 1yic n GLY 83 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 2.13 2.33 -0.02 0.00 -1.26 -4.75 105.19 103.62 1yic n GLY 84 Ca 0.00 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 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 5.49 0.00 0.99 4.77 0.42 -4.67 117.00 123.99 1yic n LEU 85 Ca 0.00 -4.87 0.03 0.00 -0.03 0.00 0.00 56.01 51.14 1yic n LEU 85 Cb 0.00 -0.55 0.17 0.00 -2.33 0.00 0.00 43.42 40.72 1yic n LEU 85 CO 0.00 2.04 0.49 1.17 -1.33 0.00 0.00 177.39 179.76 1yic n LYS 86 N -0.63 0.13 0.26 3.23 0.00 -1.26 -1.05 118.16 118.84 1yic n LYS 86 Ca 0.46 0.14 0.14 0.00 0.00 0.00 0.00 58.31 59.05 1yic n LYS 86 Cb 0.74 -1.50 0.83 0.00 0.00 0.00 0.00 35.03 35.10 1yic n LYS 86 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1yic h LYS 87 N 0.00 0.00 0.00 1.64 1.79 -1.96 -3.46 116.57 114.58 1yic h LYS 87 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1yic h LYS 87 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1yic h LYS 87 CO 0.00 0.00 0.00 -1.91 -1.08 0.00 0.00 179.45 176.46 1yic n GLU 88 N -4.00 0.00 -0.29 3.15 2.13 -0.22 -3.85 120.64 117.55 1yic n GLU 88 Ca -0.02 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.85 1yic n GLU 88 Cb 0.15 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.05 1yic n GLU 88 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1yic h LYS 89 N 0.00 0.71 -0.46 5.31 1.63 -1.89 -0.60 116.57 121.28 1yic h LYS 89 Ca 0.00 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.67 1yic h LYS 89 Cb 0.00 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 1yic h LYS 89 CO 0.00 0.47 -0.03 -0.44 -3.45 0.00 0.00 179.45 176.00 1yic h ASP 90 N 0.74 0.83 0.03 4.20 3.32 -1.87 -3.13 116.42 120.54 1yic h ASP 90 Ca 0.42 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1yic h ASP 90 Cb 0.47 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1yic h ASP 90 CO -0.29 0.96 -0.20 -0.09 -1.72 0.00 0.00 179.24 177.90 1yic h ARG 91 N 0.69 -0.32 -1.52 3.56 2.43 -1.51 0.14 114.38 117.85 1yic h ARG 91 Ca 0.13 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1yic h ARG 91 Cb 0.55 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1yic h ARG 91 CO 0.03 -0.21 0.00 0.09 -1.51 0.00 0.00 179.97 178.37 1yic n ASN 92 N -5.33 2.20 0.10 -3.80 3.02 -0.30 -2.99 115.26 108.17 1yic n ASN 92 Ca -0.05 -1.39 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 1yic n ASN 92 Cb 0.24 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 0.91 -0.44 0.06 6.41 9.92 -0.63 -0.60 116.55 132.18 1yic n ASP 93 Ca 0.00 0.36 -0.15 0.00 -0.53 0.00 0.00 54.79 54.48 1yic n ASP 93 Cb 0.31 0.57 -0.08 0.00 -0.64 0.00 0.00 41.12 41.28 1yic n ASP 93 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1yic h LEU 94 N 0.00 -1.47 -0.78 0.64 5.85 -0.66 -2.21 115.31 116.68 1yic h LEU 94 Ca 0.00 0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.98 1yic h LEU 94 Cb 0.00 0.56 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1yic h LEU 94 CO 0.00 -0.50 0.43 0.40 -0.34 0.00 0.00 178.44 178.43 1yic h ILE 95 N -0.64 0.89 -0.26 4.05 5.03 -1.80 -0.32 117.51 124.47 1yic h ILE 95 Ca 0.03 -0.25 -0.02 0.00 -0.12 0.00 0.00 64.86 64.50 1yic h ILE 95 Cb 0.70 0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 34.58 1yic h ILE 95 CO -0.33 0.13 0.08 0.71 -0.68 0.00 0.00 178.15 178.05 1yic h THR 96 N 0.72 1.20 0.09 -0.27 1.35 -1.70 0.12 112.91 114.43 1yic h THR 96 Ca 0.38 -0.64 0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1yic h THR 96 Cb 0.36 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 1yic h THR 96 CO -0.25 0.21 -0.12 0.22 -0.25 0.00 0.00 175.52 175.32 1yic h TYR 97 N 0.25 -0.32 -0.60 4.73 3.20 -0.98 -2.68 116.97 120.57 1yic h TYR 97 Ca 0.08 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.08 1yic h TYR 97 Cb 0.25 0.13 -0.10 0.00 1.54 0.00 0.00 36.73 38.55 1yic h TYR 97 CO 0.01 -0.19 0.02 -0.07 -1.64 0.00 0.00 178.16 176.29 1yic h LEU 98 N -0.26 -0.22 -2.25 2.82 3.38 -0.62 0.34 115.31 118.51 1yic h LEU 98 Ca 0.02 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1yic h LEU 98 Cb 0.26 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1yic h LEU 98 CO -0.06 -0.09 0.24 0.50 0.09 0.00 0.00 178.44 179.12 1yic h LYS 99 N 0.14 0.00 0.03 1.13 1.63 -0.66 0.92 116.57 119.76 1yic h LYS 99 Ca 0.31 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.89 1yic h LYS 99 Cb 0.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1yic h LYS 99 CO -0.49 0.00 -1.22 -0.22 -3.45 0.00 0.00 179.45 174.07 1yic h LYS 100 N 0.00 0.06 -0.72 1.90 1.63 -0.21 -2.65 116.57 116.58 1yic h LYS 100 Ca 0.07 -0.10 0.14 0.00 -0.85 0.00 0.00 60.65 59.91 1yic h LYS 100 Cb 0.55 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 32.12 1yic h LYS 100 CO -0.00 1.05 0.22 0.00 -3.45 0.00 0.00 179.45 177.26 1yic h ALA 101 N -0.32 0.95 -0.40 5.00 0.00 0.09 -3.39 119.26 121.19 1yic h ALA 101 Ca -0.31 0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1yic h ALA 101 Cb 1.41 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 19.18 1yic h ALA 101 CO -0.12 -0.28 -0.16 -1.54 0.00 0.00 0.00 179.25 177.15 1yic s SER 102 N -5.29 -0.63 0.00 0.00 1.04 0.24 -5.07 113.70 103.99 1yic s SER 102 Ca -0.13 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1yic s SER 102 Cb 0.20 0.99 0.00 0.00 0.10 0.00 0.00 66.02 67.31 1yic s SER 102 CO 0.76 -0.08 0.20 1.21 0.98 0.00 0.00 173.24 176.30