#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 -2.43 1.09 -0.58 -1.26 -5.16 120.64 112.30 1yic n GLU -4 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1yic n GLU -4 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1yic n GLU -4 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1yic s PHE -3 N 0.00 3.22 -0.11 -0.32 2.19 -1.26 -5.05 117.98 116.65 1yic s PHE -3 Ca 0.00 1.61 -0.04 0.00 0.33 0.00 0.00 56.93 58.84 1yic s PHE -3 Cb 0.00 -3.26 0.05 0.00 -1.31 0.00 0.00 43.02 38.50 1yic s PHE -3 CO 0.00 -0.91 0.11 0.15 1.83 0.00 0.00 175.22 176.39 1yic s LYS -2 N -2.26 0.02 -0.06 10.12 3.01 -1.26 -4.91 119.74 124.41 1yic s LYS -2 Ca 0.56 0.24 -0.35 0.00 -1.01 0.00 0.00 55.97 55.40 1yic s LYS -2 Cb -0.27 -1.00 -0.13 0.00 -1.01 0.00 0.00 37.83 35.42 1yic s LYS -2 CO 0.34 -0.48 1.77 0.00 0.51 0.00 0.00 175.35 177.49 1yic n ALA -1 N 5.30 0.71 -2.38 5.17 0.00 -1.26 -4.85 120.51 123.21 1yic n ALA -1 Ca -0.05 0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.71 1yic n ALA -1 Cb 0.50 -2.40 0.05 0.00 0.00 0.00 0.00 19.45 17.59 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 4.07 0.94 3.58 0.00 0.00 -1.16 -5.10 105.19 107.52 1yic n GLY 1 Ca 0.22 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1yic n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yic s SER 2 N -0.81 -0.19 0.00 1.61 0.15 -1.09 -4.94 113.70 108.43 1yic s SER 2 Ca 0.04 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1yic s SER 2 Cb 0.22 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1yic s SER 2 CO -0.06 -0.37 0.00 0.00 1.20 0.00 0.00 173.24 174.01 1yic n ALA 3 N -0.19 0.00 -1.00 5.45 0.00 -1.26 -4.33 120.51 119.18 1yic n ALA 3 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 1yic n ALA 3 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 1yic n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1yic n LYS 4 N -0.77 1.83 0.00 0.00 4.81 -1.26 -1.78 118.16 120.99 1yic n LYS 4 Ca 0.00 -1.71 0.00 0.00 -0.87 0.00 0.00 58.31 55.73 1yic n LYS 4 Cb 0.00 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.32 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 5.73 0.00 -0.19 1.64 4.81 -1.26 -5.03 118.16 123.86 1yic n LYS 5 Ca 0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1yic n LYS 5 Cb 0.28 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.43 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 0.69 -0.02 3.14 0.00 -1.40 0.18 103.07 105.67 1yic h GLY 6 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1yic h GLY 6 CO 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 176.54 176.01 1yic h ALA 7 N 1.48 -0.82 -0.64 3.60 0.00 -1.82 0.51 119.26 121.57 1yic h ALA 7 Ca 0.30 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1yic h ALA 7 Cb 0.45 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1yic h ALA 7 CO -0.41 -0.95 0.37 0.00 0.00 0.00 0.00 179.25 178.26 1yic h THR 8 N -0.49 1.02 -0.71 0.00 1.03 -1.64 0.66 112.91 112.78 1yic h THR 8 Ca 0.01 -0.24 0.16 0.00 -0.01 0.00 0.00 66.41 66.32 1yic h THR 8 Cb 0.53 0.25 -0.12 0.00 -1.07 0.00 0.00 68.15 67.73 1yic h THR 8 CO -0.28 0.13 -0.02 -0.07 -0.01 0.00 0.00 175.52 175.28 1yic h LEU 9 N 0.71 -0.36 -0.25 0.00 -0.00 -0.33 0.57 115.31 115.65 1yic h LEU 9 Ca 0.27 0.19 -0.20 0.00 -0.00 0.00 0.00 57.88 58.14 1yic h LEU 9 Cb 0.10 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1yic h LEU 9 CO -0.14 -0.17 -0.61 0.15 -0.00 0.00 0.00 178.44 177.67 1yic h PHE 10 N 0.10 1.10 0.00 1.13 3.04 0.06 0.29 116.94 122.65 1yic h PHE 10 Ca 0.38 -0.42 -0.04 0.00 3.98 0.00 0.00 57.97 61.87 1yic h PHE 10 Cb 0.65 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1yic h PHE 10 CO -0.42 1.25 -0.18 0.87 -2.02 0.00 0.00 178.31 177.81 1yic h LYS 11 N 0.63 0.00 0.00 1.11 1.79 0.10 0.15 116.57 120.35 1yic h LYS 11 Ca -0.01 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 1yic h LYS 11 Cb 1.23 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.84 1yic h LYS 11 CO 0.13 0.18 -1.94 0.25 -1.08 0.00 0.00 179.45 176.99 1yic n THR 12 N -3.71 0.97 -3.02 -0.16 -2.24 0.18 -4.56 114.28 101.74 1yic n THR 12 Ca -0.02 -0.71 -0.18 0.00 -2.27 0.00 0.00 64.05 60.88 1yic n THR 12 Cb 0.30 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.68 0.73 0.00 -0.78 1.74 1.00 -4.95 116.66 111.72 1yic n ARG 13 Ca -0.17 -2.65 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 1yic n ARG 13 Cb 0.90 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 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 0.00 0.34 -0.13 0.00 7.94 0.03 -0.48 117.00 124.70 1yic n LEU 15 Ca 0.00 0.63 -0.06 0.00 -1.11 0.00 0.00 56.01 55.47 1yic n LEU 15 Cb 0.00 -0.65 0.03 0.00 0.53 0.00 0.00 43.42 43.32 1yic n LEU 15 CO 0.00 -0.74 0.99 1.56 -1.11 0.00 0.00 177.39 178.09 1yic h GLN 16 N 0.00 0.41 0.00 1.96 4.20 -1.80 -3.26 115.11 116.62 1yic h GLN 16 Ca 0.00 -0.02 -0.28 0.00 0.06 0.00 0.00 58.65 58.41 1yic h GLN 16 Cb 0.13 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1yic h GLN 16 CO 0.00 0.27 -2.13 0.00 -0.67 0.00 0.00 178.83 176.30 1yic n HIS 18 N -2.58 -0.55 -3.54 0.00 8.25 -0.08 -0.84 115.22 115.89 1yic n HIS 18 Ca -0.25 -0.63 -0.11 0.00 -0.26 0.00 0.00 57.72 56.47 1yic n HIS 18 Cb 1.00 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.97 1yic n HIS 18 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1yic s THR 19 N -1.06 0.04 -0.42 1.59 -4.23 -1.26 -4.30 115.64 106.01 1yic s THR 19 Ca 0.04 -0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.29 1yic s THR 19 Cb -0.00 -1.09 0.48 0.00 1.34 0.00 0.00 72.50 73.23 1yic s THR 19 CO 0.03 -0.17 1.57 0.55 -0.54 0.00 0.00 174.62 176.06 1yic n VAL 20 N -0.27 2.92 -4.49 2.29 3.14 -1.26 -1.22 118.33 119.43 1yic n VAL 20 Ca -0.17 -3.30 -0.33 0.00 -2.96 0.00 0.00 64.34 57.58 1yic n VAL 20 Cb 0.64 -0.88 -0.10 0.00 -1.06 0.00 0.00 33.84 32.44 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 -3.56 2.71 -0.03 1.45 0.41 -1.26 -4.49 118.70 113.94 1yic s GLU 21 Ca 0.54 -0.60 -0.37 0.00 -0.41 0.00 0.00 54.97 54.12 1yic s GLU 21 Cb 0.44 -2.59 -0.16 0.00 -1.78 0.00 0.00 34.13 30.04 1yic s GLU 21 CO 0.02 0.64 1.50 1.17 -0.49 0.00 0.00 175.26 178.10 1yic n LYS 22 N 1.86 1.26 0.00 1.61 4.81 -1.26 -2.12 118.16 124.31 1yic n LYS 22 Ca -0.17 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1yic n LYS 22 Cb 0.53 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.45 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 3.17 0.80 0.87 3.14 0.00 -1.26 -4.92 105.19 106.99 1yic n GLY 23 Ca 0.21 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 0.00 -3.68 3.72 -0.02 0.00 -0.90 -4.67 105.19 99.64 1yic n GLY 24 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1yic n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yic s PRO 25 N -4.75 4.36 -1.18 1.61 0.04 -1.26 -4.73 135.00 129.10 1yic s PRO 25 Ca 0.00 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 1yic s PRO 25 Cb 0.00 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.28 1yic s PRO 25 CO 0.00 -0.37 1.75 -1.01 0.04 0.00 0.00 177.00 177.42 1yic s HIS 26 N 1.04 2.42 0.00 0.56 3.76 -1.26 -4.48 115.29 117.33 1yic s HIS 26 Ca 0.62 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1yic s HIS 26 Cb -0.34 -4.48 0.00 0.00 1.11 0.00 0.00 32.58 28.87 1yic s HIS 26 CO 0.30 -1.67 0.00 1.63 -0.85 0.00 0.00 174.74 174.15 1yic n LYS 27 N 8.51 0.00 0.05 1.40 5.02 -1.26 -4.85 118.16 127.03 1yic n LYS 27 Ca 0.44 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 1yic n LYS 27 Cb 0.47 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.41 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 0.73 -2.35 -0.18 2.07 -1.70 -3.45 116.25 111.38 1yic h VAL 28 Ca 0.00 -1.14 -0.50 0.00 0.82 0.00 0.00 66.70 65.88 1yic h VAL 28 Cb 0.00 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1yic h VAL 28 CO 0.00 0.20 -0.45 -0.83 0.02 0.00 0.00 177.57 176.51 1yic s GLY 29 N -3.33 1.43 0.46 2.17 0.00 -0.02 -5.03 107.32 103.00 1yic s GLY 29 Ca -0.11 -1.15 -0.22 0.00 0.00 0.00 0.00 44.72 43.23 1yic s GLY 29 CO 0.42 -1.17 1.08 2.56 0.00 0.00 0.00 173.10 175.99 1yic s PRO 30 N -3.65 3.85 0.35 2.90 0.04 -1.26 -4.45 135.00 132.78 1yic s PRO 30 Ca 0.34 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.65 1yic s PRO 30 Cb -0.10 -2.30 -0.12 0.00 0.04 0.00 0.00 34.50 32.02 1yic s PRO 30 CO 0.29 -0.42 1.11 -1.71 0.04 0.00 0.00 177.00 176.31 1yic n ASN 31 N -0.60 1.82 -1.34 6.66 2.85 -1.26 -4.64 115.26 118.74 1yic n ASN 31 Ca 0.08 1.14 -0.09 0.00 -0.11 0.00 0.00 54.58 55.60 1yic n ASN 31 Cb 0.50 -1.38 0.16 0.00 1.24 0.00 0.00 39.78 40.30 1yic n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1yic n LEU 32 N 0.81 4.37 -0.79 1.20 4.32 -0.36 -4.71 117.00 121.84 1yic n LEU 32 Ca 0.08 -4.02 0.00 0.00 -0.02 0.00 0.00 56.01 52.05 1yic n LEU 32 Cb 0.36 -0.60 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 1yic n LEU 32 CO 0.60 1.46 0.22 0.00 -1.22 0.00 0.00 177.39 178.44 1yic n HIS 33 N -1.04 0.00 0.00 -1.77 1.44 -1.26 -2.24 115.22 110.34 1yic n HIS 33 Ca 0.36 -0.16 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 1yic n HIS 33 Cb 0.96 -0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.94 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 0.51 0.00 0.00 -1.39 0.00 -1.26 -4.86 105.19 98.20 1yic n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -2.96 -0.61 3.06 -0.95 -4.59 119.36 113.30 1yic n ILE 35 Ca 0.00 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 60.05 1yic n ILE 35 Cb 0.00 -0.82 0.00 0.00 0.54 0.00 0.00 39.64 39.36 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 0.00 -1.68 0.16 9.51 3.72 -1.26 -4.54 117.46 123.37 1yic n PHE 36 Ca 0.00 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 1yic n PHE 36 Cb 0.00 -3.33 0.00 0.00 -0.94 0.00 0.00 39.48 35.21 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 -1.15 -1.36 0.00 1.37 0.00 -1.03 -4.68 105.19 98.34 1yic n GLY 37 Ca -0.09 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1yic n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yic n ARG 38 N -3.16 0.25 -3.22 1.61 3.00 -1.26 -4.72 116.66 109.16 1yic n ARG 38 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.65 1yic n ARG 38 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 1yic n ARG 38 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1yic s HIS 39 N -0.74 2.26 -0.61 -1.55 3.76 -1.26 -2.08 115.29 115.07 1yic s HIS 39 Ca 0.00 -0.56 -0.26 0.00 -0.15 0.00 0.00 55.06 54.09 1yic s HIS 39 Cb 0.00 -2.24 -0.07 0.00 1.11 0.00 0.00 32.58 31.38 1yic s HIS 39 CO 0.00 -0.58 2.27 -1.54 -0.85 0.00 0.00 174.74 174.05 1yic s SER 40 N -4.39 4.52 0.00 1.40 1.04 0.17 -3.87 113.70 112.57 1yic s SER 40 Ca 0.53 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1yic s SER 40 Cb -0.06 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1yic s SER 40 CO 0.32 -3.00 0.00 0.61 0.98 0.00 0.00 173.24 172.15 1yic n GLY 41 N 6.19 0.04 1.14 7.32 0.00 -1.26 -4.01 105.19 114.62 1yic n GLY 41 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 1.61 6.02 -1.25 -4.86 117.38 118.90 1yic n GLN 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1yic n GLN 42 Cb 0.00 -0.43 0.00 0.00 1.02 0.00 0.00 30.24 30.83 1yic n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yic n ALA 43 N -3.05 0.00 -0.06 -1.58 0.00 -1.26 -4.29 120.51 110.28 1yic n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yic n ALA 43 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1yic n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yic n GLU 44 N 4.89 1.91 0.00 0.00 1.02 -1.26 -4.94 120.64 122.26 1yic n GLU 44 Ca 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1yic n GLU 44 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1yic n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yic n GLY 45 N 0.35 0.00 3.97 0.62 0.00 -1.26 -5.17 105.19 103.70 1yic n GLY 45 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.04 -0.66 1.61 5.04 -1.26 -5.05 117.35 119.08 1yic s TYR 46 Ca 0.00 -0.01 0.06 0.00 -2.44 0.00 0.00 57.07 54.67 1yic s TYR 46 Cb 0.00 -3.15 0.21 0.00 0.35 0.00 0.00 41.96 39.37 1yic s TYR 46 CO 0.00 -1.65 0.61 0.45 -1.34 0.00 0.00 175.55 173.62 1yic n SER 47 N -2.90 3.18 -4.70 4.32 2.88 -1.26 -5.05 113.62 110.09 1yic n SER 47 Ca 0.13 -3.28 -0.31 0.00 -1.33 0.00 0.00 58.87 54.07 1yic n SER 47 Cb 0.60 -0.71 0.15 0.00 -0.75 0.00 0.00 64.21 63.50 1yic n SER 47 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1yic s TYR 48 N -1.89 1.85 0.87 0.66 2.02 -1.26 -5.02 117.35 114.57 1yic s TYR 48 Ca 0.33 1.74 -0.12 0.00 -0.37 0.00 0.00 57.07 58.65 1yic s TYR 48 Cb 0.06 -3.28 0.11 0.00 -0.40 0.00 0.00 41.96 38.45 1yic s TYR 48 CO -0.09 -2.58 1.10 -0.08 -1.57 0.00 0.00 175.55 172.33 1yic s THR 49 N -2.68 2.66 0.40 -0.71 -1.32 -1.26 -4.84 115.64 107.88 1yic s THR 49 Ca 0.66 0.21 0.12 0.00 -1.21 0.00 0.00 61.69 61.48 1yic s THR 49 Cb -0.22 -2.84 0.33 0.00 -1.51 0.00 0.00 72.50 68.27 1yic s THR 49 CO 0.57 -0.28 1.92 -2.24 -2.21 0.00 0.00 174.62 172.38 1yic h ASP 50 N -1.40 0.49 0.04 8.08 2.03 -1.95 -1.47 116.42 122.24 1yic h ASP 50 Ca -0.49 0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1yic h ASP 50 Cb 1.29 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1yic h ASP 50 CO 0.58 0.27 -0.02 0.00 -1.03 0.00 0.00 179.24 179.03 1yic h ALA 51 N 1.64 -0.60 -1.00 4.15 0.00 -1.88 0.00 119.26 121.57 1yic h ALA 51 Ca 0.37 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.40 1yic h ALA 51 Cb 0.69 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.35 1yic h ALA 51 CO -0.13 -0.60 -0.45 -0.97 0.00 0.00 0.00 179.25 177.10 1yic h ASN 52 N -0.08 -1.66 0.17 0.00 -1.24 -1.86 0.23 115.58 111.13 1yic h ASN 52 Ca -0.01 0.32 -0.00 0.00 0.71 0.00 0.00 56.30 57.32 1yic h ASN 52 Cb 0.04 0.82 -0.02 0.00 0.73 0.00 0.00 38.32 39.90 1yic h ASN 52 CO 0.01 -0.27 -0.25 0.40 -1.29 0.00 0.00 177.43 176.02 1yic h ILE 53 N -0.00 0.00 -0.81 2.57 2.04 -1.30 -3.10 117.51 116.91 1yic h ILE 53 Ca 0.29 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.11 1yic h ILE 53 Cb 0.54 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1yic h ILE 53 CO -0.97 0.00 0.36 0.50 0.00 0.00 0.00 178.15 178.03 1yic h LYS 54 N -0.45 1.18 -4.97 2.37 3.64 -0.53 -3.24 116.57 114.57 1yic h LYS 54 Ca -0.02 -0.19 -0.56 0.00 -1.27 0.00 0.00 60.65 58.61 1yic h LYS 54 Cb 0.41 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1yic h LYS 54 CO -0.08 0.93 1.99 1.17 -2.27 0.00 0.00 179.45 181.20 1yic n LYS 55 N -4.29 1.99 -1.51 1.90 0.00 0.76 -4.92 118.16 112.09 1yic n LYS 55 Ca 0.08 -2.39 -0.48 0.00 0.00 0.00 0.00 58.31 55.52 1yic n LYS 55 Cb 0.16 -3.34 -0.06 0.00 0.00 0.00 0.00 35.03 31.80 1yic n LYS 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1yic n ASN 56 N 9.77 2.57 -4.00 3.14 0.23 -1.23 -4.56 115.26 121.19 1yic n ASN 56 Ca 0.48 0.36 -0.28 0.00 -0.53 0.00 0.00 54.58 54.61 1yic n ASN 56 Cb 0.43 -1.37 -0.17 0.00 -2.08 0.00 0.00 39.78 36.60 1yic n ASN 56 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1yic s VAL 57 N 7.54 1.35 0.39 3.53 1.01 -1.26 -4.90 120.40 128.06 1yic s VAL 57 Ca 1.06 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 62.26 1yic s VAL 57 Cb -0.67 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 1yic s VAL 57 CO 0.44 0.42 1.16 -0.22 0.00 0.00 0.00 175.10 176.90 1yic s LEU 58 N 1.30 4.21 -0.28 3.92 2.96 -1.26 0.46 118.68 129.99 1yic s LEU 58 Ca -0.01 2.33 -0.17 0.00 -0.22 0.00 0.00 54.13 56.06 1yic s LEU 58 Cb -0.14 -4.00 -0.02 0.00 0.50 0.00 0.00 46.19 42.53 1yic s LEU 58 CO -0.06 -0.64 0.49 0.26 -1.32 0.00 0.00 176.35 175.08 1yic s TRP 59 N -1.41 3.24 0.04 5.38 0.23 -0.88 -4.59 118.94 120.95 1yic s TRP 59 Ca 0.56 0.49 -0.02 0.00 -2.03 0.00 0.00 56.10 55.10 1yic s TRP 59 Cb -0.30 -2.74 -0.03 0.00 0.03 0.00 0.00 33.47 30.42 1yic s TRP 59 CO 0.38 -0.33 -0.00 -0.51 0.96 0.00 0.00 176.95 177.45 1yic s ASP 60 N 1.62 0.35 0.37 2.95 1.01 -1.26 -2.48 116.67 119.22 1yic s ASP 60 Ca 0.19 -0.76 0.20 0.00 0.71 0.00 0.00 52.55 52.90 1yic s ASP 60 Cb -0.16 0.18 1.31 0.00 1.01 0.00 0.00 42.92 45.26 1yic s ASP 60 CO 0.10 -0.49 1.58 -0.08 0.21 0.00 0.00 175.17 176.49 1yic h GLU 61 N 3.70 0.01 0.04 8.23 4.81 -1.97 0.21 114.58 129.62 1yic h GLU 61 Ca -0.33 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1yic h GLU 61 Cb 1.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1yic h GLU 61 CO 0.55 0.01 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.91 1yic h ASN 62 N 0.01 -0.04 -0.25 1.04 2.35 -1.96 -3.15 115.58 113.58 1yic h ASN 62 Ca 0.83 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.65 1yic h ASN 62 Cb 2.18 0.01 -0.07 0.00 0.05 0.00 0.00 38.32 40.48 1yic h ASN 62 CO -0.77 0.00 -0.25 -1.13 -1.65 0.00 0.00 177.43 173.62 1yic h ASN 63 N -0.11 -0.81 -0.99 5.81 -1.24 -1.74 0.11 115.58 116.62 1yic h ASN 63 Ca -0.00 0.14 0.31 0.00 0.71 0.00 0.00 56.30 57.46 1yic h ASN 63 Cb 0.04 0.38 -0.15 0.00 0.73 0.00 0.00 38.32 39.32 1yic h ASN 63 CO 0.01 -0.29 0.53 -0.03 -1.29 0.00 0.00 177.43 176.36 1yic h MET 64 N -0.26 0.31 0.69 6.67 4.05 -0.78 -2.11 114.93 123.52 1yic h MET 64 Ca 0.14 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1yic h MET 64 Cb 0.47 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1yic h MET 64 CO -0.40 0.21 -0.50 0.66 0.23 0.00 0.00 176.91 177.11 1yic h SER 65 N 0.32 -1.30 -0.31 1.39 4.64 -0.72 0.26 113.55 117.84 1yic h SER 65 Ca 0.71 0.08 0.07 0.00 -0.47 0.00 0.00 61.79 62.18 1yic h SER 65 Cb 1.58 0.40 -0.08 0.00 -0.31 0.00 0.00 62.40 63.99 1yic h SER 65 CO -0.61 -0.73 -0.24 -0.33 -0.87 0.00 0.00 176.83 174.05 1yic h GLU 66 N -1.14 -0.21 -0.61 4.77 4.39 -1.46 0.52 114.58 120.84 1yic h GLU 66 Ca -0.09 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.74 1yic h GLU 66 Cb 0.94 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.52 1yic h GLU 66 CO 0.05 -0.14 -0.18 -0.92 -1.16 0.00 0.00 179.01 176.66 1yic h TYR 67 N -0.22 -0.40 0.00 4.33 3.20 -1.10 0.77 116.97 123.57 1yic h TYR 67 Ca 0.16 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1yic h TYR 67 Cb 0.47 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1yic h TYR 67 CO -0.43 -0.28 -0.15 -0.07 -1.64 0.00 0.00 178.16 175.58 1yic h LEU 68 N -0.02 0.00 -1.06 2.82 3.38 0.11 0.35 115.31 120.88 1yic h LEU 68 Ca 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1yic h LEU 68 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1yic h LEU 68 CO -0.64 0.15 -0.01 0.71 0.09 0.00 0.00 178.44 178.74 1yic h THR 69 N 0.00 1.22 -0.60 0.22 1.35 0.21 0.23 112.91 115.55 1yic h THR 69 Ca -0.00 -0.92 -0.11 0.00 -0.55 0.00 0.00 66.41 64.83 1yic h THR 69 Cb 0.89 0.93 -0.15 0.00 -1.73 0.00 0.00 68.15 68.09 1yic h THR 69 CO 0.02 0.32 -0.37 -3.20 -0.25 0.00 0.00 175.52 172.04 1yic n ASN 70 N -4.24 -2.74 -1.15 5.36 2.85 -0.03 -4.10 115.26 111.21 1yic n ASN 70 Ca 0.02 -2.38 0.00 0.00 -0.11 0.00 0.00 54.58 52.11 1yic n ASN 70 Cb 0.28 1.44 0.00 0.00 1.24 0.00 0.00 39.78 42.74 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 2.59 0.63 0.00 1.20 -0.04 0.12 -2.31 135.00 137.19 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 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1yic n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1yic n LYS 73 N 0.91 0.00 0.01 0.54 4.76 -1.26 -0.32 118.16 122.80 1yic n LYS 73 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1yic n LYS 73 Cb 0.31 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.47 1yic n LYS 73 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1yic h TYR 74 N 0.00 -0.34 -3.41 2.13 5.03 -1.81 -3.32 116.97 115.25 1yic h TYR 74 Ca 0.00 0.02 -0.68 0.00 2.58 0.00 0.00 58.73 60.65 1yic h TYR 74 Cb 0.00 0.17 -0.37 0.00 1.55 0.00 0.00 36.73 38.08 1yic h TYR 74 CO 0.00 -0.20 -0.35 0.42 -1.32 0.00 0.00 178.16 176.72 1yic s ILE 75 N -6.15 3.66 -0.77 1.81 1.01 0.57 -5.04 121.20 116.28 1yic s ILE 75 Ca -0.14 -3.44 -0.25 0.00 0.00 0.00 0.00 60.65 56.82 1yic s ILE 75 Cb 0.10 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1yic s ILE 75 CO 0.67 -0.95 1.93 -2.16 0.00 0.00 0.00 174.94 174.44 1yic s PRO 76 N -0.64 2.56 0.00 2.79 0.04 -1.25 -1.71 135.00 136.79 1yic s PRO 76 Ca 0.21 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1yic s PRO 76 Cb -0.15 -4.77 0.00 0.00 0.04 0.00 0.00 34.50 29.62 1yic s PRO 76 CO -0.07 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.25 1yic n GLY 77 N 6.36 0.88 3.65 0.56 0.00 -1.26 -4.84 105.19 110.54 1yic n GLY 77 Ca 0.32 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.89 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 1.38 0.67 2.61 5.66 -0.69 -4.78 114.28 119.14 1yic n THR 78 Ca 0.00 -0.35 0.03 0.00 -3.05 0.00 0.00 64.05 60.68 1yic n THR 78 Cb 0.00 -1.33 0.12 0.00 -1.55 0.00 0.00 70.33 67.58 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 1.40 2.03 -1.79 1.09 0.00 -1.26 -4.79 118.16 114.84 1yic n LYS 79 Ca 0.10 -0.98 -0.29 0.00 -0.00 0.00 0.00 58.31 57.14 1yic n LYS 79 Cb 0.32 -1.56 -0.04 0.00 -0.00 0.00 0.00 35.03 33.75 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 -1.61 2.21 0.00 -1.58 1.75 -1.26 -4.83 119.30 113.97 1yic s MET 80 Ca 0.17 0.62 -0.02 0.00 -1.25 0.00 0.00 55.69 55.21 1yic s MET 80 Cb 0.12 -4.69 -0.10 0.00 2.84 0.00 0.00 34.83 33.01 1yic s MET 80 CO 0.07 -3.45 2.53 0.00 -0.65 0.00 0.00 175.02 173.53 1yic n ALA 81 N 15.37 4.78 -2.62 4.11 0.00 -1.26 -4.90 120.51 135.99 1yic n ALA 81 Ca 0.36 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.74 1yic n ALA 81 Cb 0.50 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 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 0.42 3.64 0.25 0.00 5.36 -1.26 -4.96 117.98 121.43 1yic s PHE 82 Ca 0.24 1.42 -0.11 0.00 -0.96 0.00 0.00 56.93 57.52 1yic s PHE 82 Cb 0.11 -2.88 0.35 0.00 -0.34 0.00 0.00 43.02 40.26 1yic s PHE 82 CO 0.00 0.12 1.59 0.78 -1.46 0.00 0.00 175.22 176.25 1yic h GLY 83 N 6.44 0.59 -0.84 13.12 0.00 -1.96 -3.46 103.07 116.97 1yic h GLY 83 Ca -0.42 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1yic h GLY 83 CO 0.74 -0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.58 1yic n GLY 84 N -1.53 -0.71 3.52 4.60 0.00 -1.26 -4.81 105.19 105.00 1yic n GLY 84 Ca 0.12 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 1.07 0.10 0.99 4.77 0.80 -4.69 117.00 120.03 1yic n LEU 85 Ca 0.00 -1.88 0.04 0.00 -0.03 0.00 0.00 56.01 54.15 1yic n LEU 85 Cb 0.00 -0.98 0.46 0.00 -2.33 0.00 0.00 43.42 40.57 1yic n LEU 85 CO 0.00 -2.66 1.04 0.07 -1.33 0.00 0.00 177.39 174.52 1yic h LYS 86 N 10.62 0.32 -6.97 3.23 2.10 -1.81 -3.37 116.57 120.68 1yic h LYS 86 Ca 0.15 -0.04 -0.51 0.00 -2.00 0.00 0.00 60.65 58.26 1yic h LYS 86 Cb 0.82 -0.06 0.06 0.00 -0.90 0.00 0.00 32.23 32.15 1yic h LYS 86 CO 1.60 0.29 0.50 0.15 -2.00 0.00 0.00 179.45 179.99 1yic s LYS 87 N -5.13 3.91 0.00 0.07 1.02 -1.26 -5.03 119.74 113.33 1yic s LYS 87 Ca -0.07 1.83 0.00 0.00 0.02 0.00 0.00 55.97 57.75 1yic s LYS 87 Cb 0.17 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1yic s LYS 87 CO 0.72 -0.44 0.04 0.39 -0.92 0.00 0.00 175.35 175.14 1yic n GLU 88 N -0.19 0.00 -0.26 1.68 4.71 -1.26 -2.63 120.64 122.68 1yic n GLU 88 Ca 0.06 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.28 1yic n GLU 88 Cb 0.47 -0.43 0.19 0.00 -1.01 0.00 0.00 31.44 30.66 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 0.16 -0.32 3.49 3.11 -1.95 0.62 116.57 121.67 1yic h LYS 89 Ca 0.00 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.86 1yic h LYS 89 Cb 0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.14 1yic h LYS 89 CO 0.00 0.11 -0.33 -0.44 -2.81 0.00 0.00 179.45 175.98 1yic h ASP 90 N 0.17 -1.12 -0.96 4.20 5.19 -1.99 0.16 116.42 122.06 1yic h ASP 90 Ca 0.44 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 57.01 1yic h ASP 90 Cb 0.80 0.47 -0.05 0.00 0.18 0.00 0.00 39.33 40.74 1yic h ASP 90 CO -0.62 -0.21 0.62 0.08 -3.12 0.00 0.00 179.24 175.99 1yic h ARG 91 N -0.17 1.28 0.00 3.56 0.11 -0.84 0.67 114.38 118.98 1yic h ARG 91 Ca 0.05 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1yic h ARG 91 Cb 0.32 -0.28 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1yic h ARG 91 CO -0.39 0.86 0.00 0.09 0.10 0.00 0.00 179.97 180.62 1yic n ASN 92 N -4.40 0.00 -0.11 0.08 4.13 0.04 -1.12 115.26 113.88 1yic n ASN 92 Ca 0.11 0.09 -0.17 0.00 1.68 0.00 0.00 54.58 56.29 1yic n ASN 92 Cb 0.02 -0.23 -0.10 0.00 -1.54 0.00 0.00 39.78 37.93 1yic n ASN 92 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1yic n ASP 93 N -1.23 2.18 0.27 6.41 -0.08 0.51 -2.69 116.55 121.91 1yic n ASP 93 Ca 0.04 -0.04 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1yic n ASP 93 Cb 0.06 -0.41 -0.05 0.00 2.34 0.00 0.00 41.12 43.06 1yic n ASP 93 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1yic h LEU 94 N -0.17 -0.58 -1.06 -2.67 5.85 0.07 -2.80 115.31 113.95 1yic h LEU 94 Ca -0.51 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.31 1yic h LEU 94 Cb 1.70 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 1yic h LEU 94 CO -0.13 -0.38 0.63 0.40 -0.34 0.00 0.00 178.44 178.61 1yic h ILE 95 N -0.73 1.05 0.01 4.05 2.04 -1.40 -1.11 117.51 121.40 1yic h ILE 95 Ca -0.07 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1yic h ILE 95 Cb 0.52 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 1yic h ILE 95 CO 0.11 0.20 -0.26 0.71 0.00 0.00 0.00 178.15 178.91 1yic h THR 96 N 1.09 0.41 0.01 -0.27 1.35 -1.77 0.18 112.91 113.90 1yic h THR 96 Ca 0.43 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.32 1yic h THR 96 Cb 0.25 0.41 -0.05 0.00 -1.73 0.00 0.00 68.15 67.03 1yic h THR 96 CO -0.18 0.00 -0.34 0.22 -0.25 0.00 0.00 175.52 174.97 1yic h TYR 97 N -0.40 -0.93 -0.79 4.73 3.20 -1.08 -2.62 116.97 119.08 1yic h TYR 97 Ca 0.06 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.08 1yic h TYR 97 Cb 0.48 0.41 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 1yic h TYR 97 CO -0.29 -0.43 0.52 -0.07 -1.64 0.00 0.00 178.16 176.25 1yic h LEU 98 N -0.49 0.58 -0.83 2.82 3.38 -0.69 0.21 115.31 120.29 1yic h LEU 98 Ca 0.06 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.25 1yic h LEU 98 Cb 0.58 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 1yic h LEU 98 CO -0.27 0.33 0.29 0.50 0.09 0.00 0.00 178.44 179.38 1yic h LYS 99 N 0.64 0.32 0.22 1.13 1.63 -0.27 -1.56 116.57 118.68 1yic h LYS 99 Ca 0.37 -0.02 -0.32 0.00 -0.85 0.00 0.00 60.65 59.83 1yic h LYS 99 Cb 0.58 -0.07 0.03 0.00 -0.60 0.00 0.00 32.23 32.17 1yic h LYS 99 CO -0.14 0.21 -1.48 -0.22 -3.45 0.00 0.00 179.45 174.37 1yic h LYS 100 N 0.33 0.47 -0.54 1.90 3.64 -0.62 -3.32 116.57 118.43 1yic h LYS 100 Ca 0.50 -0.80 0.10 0.00 -1.27 0.00 0.00 60.65 59.18 1yic h LYS 100 Cb 0.92 0.30 -0.11 0.00 -0.41 0.00 0.00 32.23 32.93 1yic h LYS 100 CO -0.54 1.38 -0.32 0.00 -2.27 0.00 0.00 179.45 177.70 1yic h ALA 101 N 0.12 -0.06 -2.66 5.00 0.00 -0.10 -3.43 119.26 118.12 1yic h ALA 101 Ca -0.27 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1yic h ALA 101 Cb 2.08 0.74 0.00 0.00 0.00 0.00 0.00 17.79 20.62 1yic h ALA 101 CO 0.23 -0.68 0.00 0.43 0.00 0.00 0.00 179.25 179.23 1yic n SER 102 N -5.43 0.00 0.00 0.00 7.64 -0.71 -5.03 113.62 110.09 1yic n SER 102 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1yic n SER 102 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1yic n SER 102 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24