#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 -2.81 -3.84 1.09 2.13 -1.26 -5.07 120.64 110.88 1yic n GLU -4 Ca 0.00 1.91 -0.03 0.00 0.66 0.00 0.00 57.16 59.70 1yic n GLU -4 Cb 0.00 -3.42 0.01 0.00 0.27 0.00 0.00 31.44 28.30 1yic n GLU -4 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1yic s PHE -3 N -2.41 0.02 1.05 4.31 -0.71 -1.26 -4.88 117.98 114.10 1yic s PHE -3 Ca 0.00 -0.39 -0.12 0.00 -1.04 0.00 0.00 56.93 55.39 1yic s PHE -3 Cb 0.00 0.68 0.22 0.00 -1.21 0.00 0.00 43.02 42.71 1yic s PHE -3 CO 0.00 -0.89 1.08 -1.59 -1.34 0.00 0.00 175.22 172.47 1yic s LYS -2 N -2.47 0.01 0.00 1.99 0.00 -1.26 -4.99 119.74 113.01 1yic s LYS -2 Ca 0.19 1.08 0.00 0.00 0.00 0.00 0.00 55.97 57.24 1yic s LYS -2 Cb -0.02 -1.64 0.00 0.00 0.00 0.00 0.00 37.83 36.17 1yic s LYS -2 CO 0.04 -3.17 0.17 0.00 0.00 0.00 0.00 175.35 172.40 1yic n ALA -1 N -4.56 0.39 -1.64 0.59 0.00 -1.26 -5.02 120.51 109.02 1yic n ALA -1 Ca 0.07 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 1yic n ALA -1 Cb 0.54 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.16 1yic n ALA -1 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yic s GLY 1 N -0.01 1.66 0.17 0.00 0.00 -1.26 -4.89 107.32 102.99 1yic s GLY 1 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1yic s GLY 1 CO 0.00 -0.20 0.00 1.44 0.00 0.00 0.00 173.10 174.34 1yic n SER 2 N -3.94 -4.40 0.00 1.64 7.64 -1.26 -4.02 113.62 109.28 1yic n SER 2 Ca 0.12 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1yic n SER 2 Cb 0.60 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1yic n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yic n ALA 3 N -0.53 0.00 -0.28 -0.43 0.00 -1.26 -4.16 120.51 113.86 1yic n ALA 3 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1yic n ALA 3 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 1yic n ALA 3 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1yic h LYS 4 N 0.00 0.64 0.13 0.00 1.63 -1.98 -2.42 116.57 114.57 1yic h LYS 4 Ca 0.00 -0.04 -0.29 0.00 -0.85 0.00 0.00 60.65 59.48 1yic h LYS 4 Cb 0.00 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1yic h LYS 4 CO 0.00 0.42 -1.45 0.87 -3.45 0.00 0.00 179.45 175.85 1yic h LYS 5 N 0.66 0.27 -0.91 1.90 1.79 -1.94 -3.40 116.57 114.96 1yic h LYS 5 Ca 0.47 -0.47 0.28 0.00 -2.18 0.00 0.00 60.65 58.75 1yic h LYS 5 Cb 0.82 0.17 -0.17 0.00 -1.58 0.00 0.00 32.23 31.48 1yic h LYS 5 CO -0.23 1.22 0.12 0.41 -1.08 0.00 0.00 179.45 179.89 1yic n GLY 6 N 1.76 -1.12 0.13 3.86 0.00 -0.92 0.43 105.19 109.35 1yic n GLY 6 Ca -0.24 0.86 -0.04 0.00 0.00 0.00 0.00 46.02 46.59 1yic n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yic h ALA 7 N 1.81 -0.60 -0.70 4.61 0.00 -1.76 0.19 119.26 122.81 1yic h ALA 7 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1yic h ALA 7 Cb 1.32 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 1yic h ALA 7 CO -0.82 -0.65 0.46 1.79 0.00 0.00 0.00 179.25 180.03 1yic h THR 8 N -0.18 1.18 -0.69 0.00 1.35 -0.26 -0.96 112.91 113.36 1yic h THR 8 Ca 0.01 -0.35 0.12 0.00 -0.55 0.00 0.00 66.41 65.64 1yic h THR 8 Cb 0.20 0.17 -0.13 0.00 -1.73 0.00 0.00 68.15 66.66 1yic h THR 8 CO -0.11 0.18 -0.30 -0.07 -0.25 0.00 0.00 175.52 174.97 1yic h LEU 9 N 0.95 -1.06 -0.62 3.87 -0.00 -0.57 0.45 115.31 118.33 1yic h LEU 9 Ca 0.26 0.24 -0.04 0.00 -0.00 0.00 0.00 57.88 58.33 1yic h LEU 9 Cb -0.09 0.57 -0.03 0.00 -0.00 0.00 0.00 40.66 41.11 1yic h LEU 9 CO -0.05 -0.29 0.22 0.15 -0.00 0.00 0.00 178.44 178.47 1yic h PHE 10 N -0.09 0.97 -0.07 1.13 3.57 0.34 0.38 116.94 123.16 1yic h PHE 10 Ca 0.29 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1yic h PHE 10 Cb 0.56 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1yic h PHE 10 CO -0.66 0.79 -0.34 0.87 -2.23 0.00 0.00 178.31 176.74 1yic h LYS 11 N 0.88 0.14 0.00 1.11 1.79 0.33 0.37 116.57 121.18 1yic h LYS 11 Ca 0.20 -0.06 -0.30 0.00 -2.18 0.00 0.00 60.65 58.32 1yic h LYS 11 Cb 0.25 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 1yic h LYS 11 CO -0.01 0.47 -1.82 0.25 -1.08 0.00 0.00 179.45 177.27 1yic n THR 12 N -4.10 1.55 -1.11 -0.16 -2.24 0.14 -4.62 114.28 103.74 1yic n THR 12 Ca -0.01 -0.80 0.04 0.00 -2.27 0.00 0.00 64.05 61.00 1yic n THR 12 Cb 0.41 -0.92 0.06 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.98 1.09 0.14 -0.78 1.74 0.13 -4.93 116.66 111.06 1yic n ARG 13 Ca -0.19 -1.67 0.00 0.00 -0.77 0.00 0.00 57.85 55.22 1yic n ARG 13 Cb 1.06 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.50 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 -3.15 0.41 -0.04 0.00 7.94 -0.13 -0.49 117.00 121.55 1yic n LEU 15 Ca 0.00 0.63 -0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1yic n LEU 15 Cb 0.00 -0.64 0.29 0.00 0.53 0.00 0.00 43.42 43.60 1yic n LEU 15 CO 0.00 -0.77 0.99 0.06 -1.11 0.00 0.00 177.39 176.55 1yic h GLN 16 N 0.00 0.61 0.00 1.96 3.07 -1.82 -3.23 115.11 115.71 1yic h GLN 16 Ca 0.00 -0.11 -0.15 0.00 0.09 0.00 0.00 58.65 58.48 1yic h GLN 16 Cb 0.32 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.76 1yic h GLN 16 CO 0.00 0.57 -1.67 0.00 0.09 0.00 0.00 178.83 177.82 1yic n HIS 18 N -2.28 -0.04 0.00 0.00 8.25 -0.33 -0.56 115.22 120.26 1yic n HIS 18 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1yic n HIS 18 Cb 0.72 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.83 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 -0.01 0.00 -1.02 1.59 -2.24 -1.26 -4.42 114.28 106.91 1yic n THR 19 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1yic n THR 19 Cb 0.00 -0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.52 0.00 -4.87 2.28 3.14 -1.26 -4.92 118.33 111.18 1yic n VAL 20 Ca 0.00 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 1yic n VAL 20 Cb 0.00 -0.41 -0.16 0.00 -1.06 0.00 0.00 33.84 32.21 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 -1.48 1.73 0.46 1.45 2.02 -1.26 -4.22 118.70 117.39 1yic s GLU 21 Ca 0.00 -0.64 -0.24 0.00 0.02 0.00 0.00 54.97 54.11 1yic s GLU 21 Cb 0.00 -1.54 -0.08 0.00 0.10 0.00 0.00 34.13 32.60 1yic s GLU 21 CO 0.00 0.30 1.30 0.36 0.02 0.00 0.00 175.26 177.23 1yic n LYS 22 N 2.97 1.90 -0.81 1.61 2.85 -1.26 -0.96 118.16 124.46 1yic n LYS 22 Ca -0.17 0.68 0.00 0.00 -1.05 0.00 0.00 58.31 57.77 1yic n LYS 22 Cb 0.53 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 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 0.79 0.51 3.76 2.58 0.00 -1.26 -5.00 105.19 106.57 1yic n GLY 23 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 2.81 0.00 -0.02 0.00 -0.13 -5.04 107.32 102.94 1yic s GLY 24 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 44.72 45.81 1yic s GLY 24 CO 0.00 1.55 0.00 -1.55 0.00 0.00 0.00 173.10 173.10 1yic n PRO 25 N -0.92 1.21 -3.73 2.90 -0.04 -1.26 -4.77 135.00 128.40 1yic n PRO 25 Ca 0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.29 1yic n PRO 25 Cb 0.47 0.00 -0.17 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 0.00 0.92 0.00 0.54 3.76 -1.26 -3.28 115.29 115.97 1yic s HIS 26 Ca 0.00 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.16 1yic s HIS 26 Cb 0.00 -0.98 0.00 0.00 1.11 0.00 0.00 32.58 32.71 1yic s HIS 26 CO 0.00 -0.58 0.00 1.63 -0.85 0.00 0.00 174.74 174.94 1yic n LYS 27 N 5.08 0.00 0.08 1.40 5.02 -1.26 -4.90 118.16 123.59 1yic n LYS 27 Ca -0.09 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.13 1yic n LYS 27 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.30 -2.21 -0.18 2.07 -1.76 -3.46 116.25 111.00 1yic h VAL 28 Ca 0.00 -0.92 -0.45 0.00 0.82 0.00 0.00 66.70 66.16 1yic h VAL 28 Cb 0.00 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1yic h VAL 28 CO 0.00 0.08 -0.24 -0.83 0.02 0.00 0.00 177.57 176.60 1yic s GLY 29 N -3.23 1.56 0.50 2.17 0.00 0.27 -5.04 107.32 103.55 1yic s GLY 29 Ca -0.08 -1.28 -0.19 0.00 0.00 0.00 0.00 44.72 43.17 1yic s GLY 29 CO 0.26 -1.17 1.02 2.56 0.00 0.00 0.00 173.10 175.77 1yic s PRO 30 N -4.32 3.82 0.07 2.90 0.04 -1.26 -4.55 135.00 131.70 1yic s PRO 30 Ca 0.46 1.23 -0.35 0.00 0.04 0.00 0.00 61.00 62.38 1yic s PRO 30 Cb -0.10 -2.11 -0.14 0.00 0.04 0.00 0.00 34.50 32.20 1yic s PRO 30 CO 0.34 -0.40 1.61 0.09 0.04 0.00 0.00 177.00 178.69 1yic n ASN 31 N -1.16 2.90 -1.57 6.66 3.02 -1.21 -4.67 115.26 119.23 1yic n ASN 31 Ca 0.08 1.06 -0.07 0.00 -0.03 0.00 0.00 54.58 55.63 1yic n ASN 31 Cb 0.53 -1.36 0.02 0.00 -0.61 0.00 0.00 39.78 38.36 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 4.07 5.31 -4.45 3.41 4.77 -1.26 -4.87 117.00 123.98 1yic n LEU 32 Ca 0.19 -2.59 -0.50 0.00 -0.03 0.00 0.00 56.01 53.08 1yic n LEU 32 Cb 0.26 -0.95 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 1yic n LEU 32 CO 0.66 0.98 1.81 1.57 -1.33 0.00 0.00 177.39 181.08 1yic n HIS 33 N 0.73 1.61 -3.88 -1.77 -0.00 -1.26 -0.69 115.22 109.96 1yic n HIS 33 Ca 0.14 0.25 -0.24 0.00 -0.00 0.00 0.00 57.72 57.86 1yic n HIS 33 Cb 0.60 -2.54 -0.01 0.00 -0.00 0.00 0.00 29.99 28.04 1yic n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1yic n GLY 34 N 6.50 -0.25 0.00 1.57 0.00 -1.26 -4.96 105.19 106.79 1yic n GLY 34 Ca 0.41 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -4.36 0.00 -3.64 -0.61 0.13 0.13 -4.53 119.36 106.48 1yic n ILE 35 Ca -0.31 0.00 -0.21 0.00 -1.10 0.00 0.00 62.75 61.14 1yic n ILE 35 Cb 0.68 -0.87 0.04 0.00 -0.84 0.00 0.00 39.64 38.66 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 -1.10 -1.97 0.07 9.51 3.72 -1.26 -4.76 117.46 121.68 1yic n PHE 36 Ca 0.00 0.85 0.00 0.00 -0.05 0.00 0.00 57.45 58.25 1yic n PHE 36 Cb 0.00 -4.47 0.00 0.00 -0.94 0.00 0.00 39.48 34.07 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 -1.50 -1.20 3.92 1.37 0.00 -0.50 -4.77 105.19 102.51 1yic n GLY 37 Ca -0.29 0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 1.38 0.72 1.61 1.70 -1.26 -4.69 118.95 116.41 1yic s ARG 38 Ca 0.00 -0.20 -0.06 0.00 -0.47 0.00 0.00 55.73 55.00 1yic s ARG 38 Cb 0.00 -1.94 0.08 0.00 -0.57 0.00 0.00 34.95 32.52 1yic s ARG 38 CO 0.00 -1.92 1.02 -1.01 -1.08 0.00 0.00 175.30 172.30 1yic s HIS 39 N -3.67 2.55 -0.41 5.89 3.76 -1.26 -2.37 115.29 119.78 1yic s HIS 39 Ca 0.67 0.26 -0.28 0.00 -0.15 0.00 0.00 55.06 55.57 1yic s HIS 39 Cb -0.08 -3.22 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 1yic s HIS 39 CO 0.50 -1.53 1.94 -1.54 -0.85 0.00 0.00 174.74 173.26 1yic s SER 40 N -4.58 5.51 0.00 1.40 1.04 0.15 -3.93 113.70 113.28 1yic s SER 40 Ca 0.62 1.11 0.00 0.00 0.48 0.00 0.00 55.95 58.16 1yic s SER 40 Cb -0.09 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1yic s SER 40 CO 0.45 -2.05 0.00 0.61 0.98 0.00 0.00 173.24 173.23 1yic n GLY 41 N 5.60 0.65 0.00 7.32 0.00 -1.26 -3.77 105.19 113.73 1yic n GLY 41 Ca 0.25 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.25 -2.20 1.61 6.02 -1.25 -4.87 117.38 117.95 1yic n GLN 42 Ca 0.00 -0.20 -0.43 0.00 -0.01 0.00 0.00 57.00 56.36 1yic n GLN 42 Cb 0.00 -0.63 -0.02 0.00 1.02 0.00 0.00 30.24 30.61 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 -0.24 3.18 -1.09 -1.58 0.00 -1.26 -4.90 121.76 115.88 1yic s ALA 43 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 1yic s ALA 43 Cb 0.00 -3.88 -0.07 0.00 0.00 0.00 0.00 23.12 19.17 1yic s ALA 43 CO 0.00 -2.11 1.94 -0.85 0.00 0.00 0.00 175.76 174.74 1yic n GLU 44 N 7.80 1.99 0.00 0.00 -0.00 -1.26 -2.36 120.64 126.81 1yic n GLU 44 Ca 0.18 -2.38 0.00 0.00 -0.00 0.00 0.00 57.16 54.96 1yic n GLU 44 Cb 0.46 -3.32 0.00 0.00 -0.00 0.00 0.00 31.44 28.58 1yic n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1yic n GLY 45 N 5.00 0.72 3.74 -1.84 0.00 -1.26 -5.15 105.19 106.39 1yic n GLY 45 Ca 0.48 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 2.35 -0.77 1.61 5.04 -1.00 -5.01 117.35 119.57 1yic s TYR 46 Ca 0.00 0.96 0.03 0.00 -2.44 0.00 0.00 57.07 55.62 1yic s TYR 46 Cb 0.00 -3.30 0.28 0.00 0.35 0.00 0.00 41.96 39.30 1yic s TYR 46 CO 0.00 -2.56 1.04 -1.13 -1.34 0.00 0.00 175.55 171.56 1yic n SER 47 N -3.93 4.80 -4.55 4.32 3.41 -1.26 -5.01 113.62 111.40 1yic n SER 47 Ca 0.06 -3.50 -0.35 0.00 -0.26 0.00 0.00 58.87 54.82 1yic n SER 47 Cb 0.58 -0.84 0.09 0.00 -0.26 0.00 0.00 64.21 63.78 1yic n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1yic n TYR 48 N 0.72 -0.03 -2.26 7.33 4.01 -1.26 -4.96 117.16 120.71 1yic n TYR 48 Ca 0.30 0.37 -0.36 0.00 -0.16 0.00 0.00 57.90 58.04 1yic n TYR 48 Cb 0.38 -1.99 -0.01 0.00 -0.31 0.00 0.00 39.34 37.41 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 -1.94 3.13 0.29 -0.72 -4.23 -1.26 -4.88 115.64 106.04 1yic s THR 49 Ca 0.69 0.81 0.02 0.00 -1.18 0.00 0.00 61.69 62.03 1yic s THR 49 Cb -0.33 -3.39 0.30 0.00 1.34 0.00 0.00 72.50 70.43 1yic s THR 49 CO 0.55 -0.05 1.66 -2.24 -0.54 0.00 0.00 174.62 173.99 1yic h ASP 50 N 1.81 0.06 0.00 3.99 2.03 -1.93 -0.16 116.42 122.23 1yic h ASP 50 Ca -0.50 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1yic h ASP 50 Cb 1.25 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1yic h ASP 50 CO 0.59 -0.13 0.00 0.00 -1.03 0.00 0.00 179.24 178.67 1yic n ALA 51 N -2.66 -0.22 -0.27 4.15 0.00 -1.26 -0.20 120.51 120.05 1yic n ALA 51 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1yic n ALA 51 Cb 0.68 0.17 0.02 0.00 0.00 0.00 0.00 19.45 20.31 1yic n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1yic h ASN 52 N 0.00 -1.27 0.04 0.00 -0.73 -1.70 0.11 115.58 112.03 1yic h ASN 52 Ca 0.00 0.26 -0.00 0.00 1.87 0.00 0.00 56.30 58.43 1yic h ASN 52 Cb 0.00 0.65 -0.00 0.00 0.27 0.00 0.00 38.32 39.23 1yic h ASN 52 CO 0.00 -0.30 -0.06 0.40 -0.37 0.00 0.00 177.43 177.10 1yic h ILE 53 N -0.10 0.00 -0.63 2.57 2.04 -0.99 -2.81 117.51 117.59 1yic h ILE 53 Ca 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 1yic h ILE 53 Cb 0.57 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1yic h ILE 53 CO -0.80 0.00 0.34 0.50 0.00 0.00 0.00 178.15 178.20 1yic h LYS 54 N -0.11 0.86 -0.79 2.37 3.64 -0.15 0.07 116.57 122.46 1yic h LYS 54 Ca -0.00 -0.09 0.16 0.00 -1.27 0.00 0.00 60.65 59.44 1yic h LYS 54 Cb 0.10 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1yic h LYS 54 CO -0.02 0.63 0.53 -0.22 -2.27 0.00 0.00 179.45 178.10 1yic h LYS 55 N 0.87 0.43 -6.93 1.90 1.63 -0.75 -3.46 116.57 110.25 1yic h LYS 55 Ca 0.22 -0.03 -0.60 0.00 -0.85 0.00 0.00 60.65 59.40 1yic h LYS 55 Cb 0.02 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 1yic h LYS 55 CO -0.04 0.29 -1.01 0.09 -3.45 0.00 0.00 179.45 175.33 1yic n ASN 56 N -4.49 -3.79 -4.68 4.20 3.02 0.01 -4.91 115.26 104.61 1yic n ASN 56 Ca 0.15 -1.30 -0.40 0.00 -0.03 0.00 0.00 54.58 53.01 1yic n ASN 56 Cb 0.55 -1.71 -0.05 0.00 -0.61 0.00 0.00 39.78 37.96 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 -3.59 5.03 0.28 2.41 1.01 -1.26 -4.68 120.40 119.61 1yic s VAL 57 Ca 0.46 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 1yic s VAL 57 Cb -0.25 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1yic s VAL 57 CO 0.97 0.17 1.36 -0.22 0.00 0.00 0.00 175.10 177.37 1yic s LEU 58 N 1.47 4.41 -0.33 3.92 2.96 -1.26 0.31 118.68 130.16 1yic s LEU 58 Ca 0.32 2.64 -0.20 0.00 -0.22 0.00 0.00 54.13 56.67 1yic s LEU 58 Cb -0.16 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 42.89 1yic s LEU 58 CO 0.13 -0.59 0.61 0.26 -1.32 0.00 0.00 176.35 175.43 1yic s TRP 59 N -0.56 3.18 0.06 5.38 0.23 -1.00 -4.64 118.94 121.58 1yic s TRP 59 Ca 0.54 0.41 -0.07 0.00 -2.03 0.00 0.00 56.10 54.94 1yic s TRP 59 Cb -0.40 -3.03 -0.01 0.00 0.03 0.00 0.00 33.47 30.06 1yic s TRP 59 CO 0.48 -0.55 0.15 -0.51 0.96 0.00 0.00 176.95 177.47 1yic s ASP 60 N 1.73 0.15 0.47 2.95 1.11 -1.26 -1.41 116.67 120.41 1yic s ASP 60 Ca 0.23 -0.60 0.21 0.00 0.18 0.00 0.00 52.55 52.58 1yic s ASP 60 Cb -0.15 0.29 1.22 0.00 1.07 0.00 0.00 42.92 45.35 1yic s ASP 60 CO 0.13 -0.62 1.92 -0.33 1.18 0.00 0.00 175.17 177.45 1yic h GLU 61 N 3.17 0.23 0.00 8.23 3.07 -1.96 0.25 114.58 127.57 1yic h GLU 61 Ca -0.33 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1yic h GLU 61 Cb 1.19 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1yic h GLU 61 CO 0.54 0.15 0.00 0.27 -1.40 0.00 0.00 179.01 178.57 1yic n ASN 62 N -4.42 0.00 0.08 1.42 0.23 -1.26 -2.25 115.26 109.06 1yic n ASN 62 Ca 0.15 0.87 -0.12 0.00 -0.53 0.00 0.00 54.58 54.96 1yic n ASN 62 Cb 0.66 -0.49 -0.05 0.00 -2.08 0.00 0.00 39.78 37.82 1yic n ASN 62 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1yic h ASN 63 N 0.00 -0.55 -0.86 0.53 -1.24 -1.78 -2.42 115.58 109.25 1yic h ASN 63 Ca 0.00 0.07 0.17 0.00 0.71 0.00 0.00 56.30 57.25 1yic h ASN 63 Cb 0.00 0.22 -0.10 0.00 0.73 0.00 0.00 38.32 39.16 1yic h ASN 63 CO 0.00 -0.27 0.42 -0.03 -1.29 0.00 0.00 177.43 176.27 1yic h MET 64 N -0.34 0.53 -0.36 6.67 4.05 -0.66 -0.47 114.93 124.35 1yic h MET 64 Ca 0.04 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 1yic h MET 64 Cb 0.39 -0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 1yic h MET 64 CO -0.14 0.35 -0.02 1.03 0.23 0.00 0.00 176.91 178.36 1yic h SER 65 N 0.55 -0.19 -0.44 1.39 0.87 -0.97 0.23 113.55 114.98 1yic h SER 65 Ca 0.50 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 61.09 1yic h SER 65 Cb 0.79 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1yic h SER 65 CO -0.42 -0.06 0.08 -0.33 -0.53 0.00 0.00 176.83 175.57 1yic h GLU 66 N 0.07 0.73 0.30 2.24 4.39 -1.18 0.51 114.58 121.65 1yic h GLU 66 Ca 0.18 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1yic h GLU 66 Cb 0.25 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1yic h GLU 66 CO -0.31 0.76 -0.40 -0.92 -1.16 0.00 0.00 179.01 176.97 1yic h TYR 67 N 0.60 -1.12 -0.44 4.33 3.20 -0.52 -2.60 116.97 120.41 1yic h TYR 67 Ca 0.14 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.07 1yic h TYR 67 Cb 0.38 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1yic h TYR 67 CO 0.03 -0.51 0.30 -0.07 -1.64 0.00 0.00 178.16 176.27 1yic h LEU 68 N -0.73 0.35 -1.16 2.82 3.38 -0.52 0.28 115.31 119.74 1yic h LEU 68 Ca -0.04 -0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.16 1yic h LEU 68 Cb 0.65 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1yic h LEU 68 CO -0.10 0.24 0.62 0.74 0.09 0.00 0.00 178.44 180.03 1yic h THR 69 N 0.40 0.62 -0.62 0.22 2.02 -0.52 0.20 112.91 115.23 1yic h THR 69 Ca 0.19 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1yic h THR 69 Cb 0.24 -0.02 -0.16 0.00 -1.74 0.00 0.00 68.15 66.47 1yic h THR 69 CO -0.05 0.11 -0.32 0.21 0.37 0.00 0.00 175.52 175.84 1yic s ASN 70 N -5.35 -0.90 0.00 4.18 3.84 0.68 -3.82 114.94 113.57 1yic s ASN 70 Ca -0.10 -1.07 0.00 0.00 0.21 0.00 0.00 52.86 51.90 1yic s ASN 70 Cb 0.25 1.18 0.00 0.00 -0.55 0.00 0.00 41.25 42.13 1yic s ASN 70 CO 0.80 -0.03 0.70 -0.81 -2.79 0.00 0.00 177.10 174.97 1yic n PRO 71 N 2.79 0.59 0.00 0.43 -0.04 0.46 -0.92 135.00 138.32 1yic n PRO 71 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1yic n PRO 71 Cb 0.60 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.88 0.00 -0.15 0.54 4.81 -1.26 -0.24 118.16 122.74 1yic n LYS 73 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1yic n LYS 73 Cb 0.30 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.35 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 0.60 -3.29 5.64 5.03 -1.35 -3.29 116.97 120.31 1yic h TYR 74 Ca 0.00 -0.01 -0.69 0.00 2.58 0.00 0.00 58.73 60.61 1yic h TYR 74 Cb 0.00 -0.20 -0.36 0.00 1.55 0.00 0.00 36.73 37.72 1yic h TYR 74 CO 0.00 0.44 -0.18 0.42 -1.32 0.00 0.00 178.16 177.52 1yic s ILE 75 N -5.94 4.10 -1.03 1.81 1.01 0.66 -5.03 121.20 116.79 1yic s ILE 75 Ca -0.13 -3.91 -0.24 0.00 0.00 0.00 0.00 60.65 56.37 1yic s ILE 75 Cb 0.11 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 1yic s ILE 75 CO 0.74 -1.07 1.96 -2.16 0.00 0.00 0.00 174.94 174.42 1yic s PRO 76 N -1.33 2.46 0.00 2.79 0.04 -1.24 -1.71 135.00 136.01 1yic s PRO 76 Ca 0.27 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1yic s PRO 76 Cb -0.07 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1yic s PRO 76 CO -0.13 -3.74 0.00 0.41 0.04 0.00 0.00 177.00 173.58 1yic n GLY 77 N 6.38 0.50 3.62 0.56 0.00 -1.26 -4.97 105.19 110.03 1yic n GLY 77 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 2.26 -0.18 2.61 5.66 -0.69 -4.75 114.28 119.19 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 -1.20 0.24 0.00 -1.55 0.00 0.00 70.33 67.82 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 0.34 3.34 -1.98 1.09 0.00 -1.26 -4.85 118.16 114.85 1yic n LYS 79 Ca 0.08 -1.95 -0.39 0.00 -0.00 0.00 0.00 58.31 56.06 1yic n LYS 79 Cb 0.37 -1.97 -0.03 0.00 -0.00 0.00 0.00 35.03 33.40 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 -2.09 2.62 -0.22 -1.58 1.75 -1.26 -4.87 119.30 113.64 1yic s MET 80 Ca 0.34 0.78 -0.04 0.00 -1.25 0.00 0.00 55.69 55.52 1yic s MET 80 Cb 0.26 -4.40 -0.06 0.00 2.84 0.00 0.00 34.83 33.48 1yic s MET 80 CO 0.10 -2.73 2.96 0.00 -0.65 0.00 0.00 175.02 174.70 1yic n ALA 81 N 12.95 6.07 -2.36 4.11 0.00 -1.26 -4.94 120.51 135.08 1yic n ALA 81 Ca 0.23 -2.15 -0.38 0.00 0.00 0.00 0.00 53.44 51.13 1yic n ALA 81 Cb 0.52 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.50 3.78 0.18 0.00 5.36 -1.26 -5.00 117.98 120.53 1yic s PHE 82 Ca 0.54 1.17 -0.28 0.00 -0.96 0.00 0.00 56.93 57.41 1yic s PHE 82 Cb 0.31 -2.43 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 1yic s PHE 82 CO -0.09 0.60 1.54 0.41 -1.46 0.00 0.00 175.22 176.22 1yic n GLY 83 N 1.78 -2.47 0.00 13.12 0.00 -1.26 -4.85 105.19 111.51 1yic n GLY 83 Ca -0.12 1.17 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 -1.30 0.09 0.00 -0.02 0.00 -1.26 -4.92 105.19 97.77 1yic n GLY 84 Ca 0.04 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.95 0.00 0.00 0.99 4.77 0.70 -4.96 117.00 117.55 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 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1yic n LEU 85 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.23 1yic n LYS 86 N -0.96 0.00 -0.76 3.23 0.00 -1.25 -4.94 118.16 113.48 1yic n LYS 86 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.97 1yic n LYS 86 Cb 0.00 -0.55 0.14 0.00 0.00 0.00 0.00 35.03 34.61 1yic n LYS 86 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1yic n LYS 87 N 0.00 -1.04 0.00 1.64 4.01 -1.26 -5.00 118.16 116.51 1yic n LYS 87 Ca 0.00 -0.29 0.00 0.00 -0.51 0.00 0.00 58.31 57.51 1yic n LYS 87 Cb 0.00 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 32.94 1yic n LYS 87 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1yic n GLU 88 N -1.07 0.00 0.07 1.97 4.71 -1.26 -4.09 120.64 120.96 1yic n GLU 88 Ca 0.01 0.01 -0.06 0.00 -0.01 0.00 0.00 57.16 57.11 1yic n GLU 88 Cb 0.62 -0.18 -0.03 0.00 -1.01 0.00 0.00 31.44 30.84 1yic n GLU 88 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1yic h LYS 89 N 0.00 -0.29 -0.88 3.49 1.63 -1.98 0.36 116.57 118.90 1yic h LYS 89 Ca 0.00 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.94 1yic h LYS 89 Cb 0.00 0.06 -0.14 0.00 -0.60 0.00 0.00 32.23 31.56 1yic h LYS 89 CO 0.00 -0.19 -0.44 -0.44 -3.45 0.00 0.00 179.45 174.93 1yic h ASP 90 N -0.30 -1.59 0.29 4.20 5.19 -1.99 0.22 116.42 122.44 1yic h ASP 90 Ca -0.01 0.30 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1yic h ASP 90 Cb 0.28 0.77 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1yic h ASP 90 CO -0.06 -0.29 -0.23 -0.09 -3.12 0.00 0.00 179.24 175.45 1yic h ARG 91 N -0.06 -0.50 -0.47 3.56 2.43 -1.65 0.79 114.38 118.47 1yic h ARG 91 Ca 0.26 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.55 1yic h ARG 91 Cb 0.55 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.14 1yic h ARG 91 CO -0.89 -0.34 0.04 -0.91 -1.51 0.00 0.00 179.97 176.36 1yic h ASN 92 N -0.52 -0.12 -0.25 -3.80 -0.26 -0.15 0.14 115.58 110.61 1yic h ASN 92 Ca -0.02 0.10 0.05 0.00 -0.56 0.00 0.00 56.30 55.87 1yic h ASN 92 Cb 0.46 0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.84 1yic h ASN 92 CO -0.01 -0.03 -0.03 -0.78 -1.06 0.00 0.00 177.43 175.52 1yic h ASP 93 N 0.16 -0.16 0.63 5.81 1.82 0.01 -0.79 116.42 123.91 1yic h ASP 93 Ca 0.24 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.91 1yic h ASP 93 Cb 0.34 0.13 0.01 0.00 0.68 0.00 0.00 39.33 40.48 1yic h ASP 93 CO -0.36 -0.05 -0.30 0.25 -1.61 0.00 0.00 179.24 177.17 1yic h LEU 94 N 0.04 -0.72 -1.02 2.28 5.85 -0.09 0.35 115.31 121.99 1yic h LEU 94 Ca 0.12 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1yic h LEU 94 Cb 0.17 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 1yic h LEU 94 CO -0.23 -0.43 0.65 0.40 -0.34 0.00 0.00 178.44 178.48 1yic h ILE 95 N -0.98 1.08 -0.22 4.05 2.04 -0.74 0.24 117.51 122.99 1yic h ILE 95 Ca -0.09 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1yic h ILE 95 Cb 0.69 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1yic h ILE 95 CO 0.14 0.21 -0.01 0.74 0.00 0.00 0.00 178.15 179.23 1yic h THR 96 N 1.17 1.26 -0.36 -0.27 2.02 -1.08 -1.05 112.91 114.59 1yic h THR 96 Ca 0.43 -0.93 0.08 0.00 0.77 0.00 0.00 66.41 66.77 1yic h THR 96 Cb 0.18 1.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 1yic h THR 96 CO -0.17 0.29 -0.19 0.22 0.37 0.00 0.00 175.52 176.03 1yic h TYR 97 N 0.15 -0.48 -0.65 3.16 3.20 -0.34 -2.57 116.97 119.44 1yic h TYR 97 Ca 0.06 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.06 1yic h TYR 97 Cb 0.43 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.90 1yic h TYR 97 CO 0.04 -0.27 0.30 -0.07 -1.64 0.00 0.00 178.16 176.52 1yic h LEU 98 N -0.13 0.36 -0.65 2.82 3.38 -0.25 0.20 115.31 121.03 1yic h LEU 98 Ca 0.18 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.35 1yic h LEU 98 Cb 0.41 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 1yic h LEU 98 CO -0.45 0.22 -0.13 0.50 0.09 0.00 0.00 178.44 178.67 1yic h LYS 99 N 0.52 0.02 -0.25 1.13 1.63 -0.79 0.31 116.57 119.15 1yic h LYS 99 Ca 0.32 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.09 1yic h LYS 99 Cb 0.34 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1yic h LYS 99 CO -0.27 0.01 0.04 -0.22 -3.45 0.00 0.00 179.45 175.56 1yic h LYS 100 N 0.02 0.41 -0.37 1.90 3.64 -0.58 -2.30 116.57 119.28 1yic h LYS 100 Ca 0.32 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1yic h LYS 100 Cb 0.50 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1yic h LYS 100 CO -0.65 0.54 0.25 0.00 -2.27 0.00 0.00 179.45 177.32 1yic h ALA 101 N 0.85 1.89 0.06 5.00 0.00 0.13 -2.94 119.26 124.25 1yic h ALA 101 Ca 0.07 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1yic h ALA 101 Cb 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1yic h ALA 101 CO 0.01 0.06 -1.10 0.66 0.00 0.00 0.00 179.25 178.87 1yic h SER 102 N 0.37 0.63 0.00 0.00 4.64 -0.15 -3.43 113.55 115.60 1yic h SER 102 Ca 0.15 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1yic h SER 102 Cb 0.16 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1yic h SER 102 CO -0.04 1.38 0.00 -1.84 -0.87 0.00 0.00 176.83 175.47