#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 0.07 -4.31 -2.82 0.00 -1.26 -5.12 120.64 107.20 1yic n GLU -4 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 57.16 56.97 1yic n GLU -4 Cb 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 31.44 30.89 1yic n GLU -4 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1yic n PHE -3 N -2.86 -0.33 -2.88 4.31 -1.74 -1.26 -4.81 117.46 107.90 1yic n PHE -3 Ca -0.02 -2.71 -0.42 0.00 -0.56 0.00 0.00 57.45 53.74 1yic n PHE -3 Cb 0.07 0.14 -0.04 0.00 1.52 0.00 0.00 39.48 41.17 1yic n PHE -3 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1yic s LYS -2 N -3.45 3.79 0.65 3.97 -0.14 -1.26 -5.04 119.74 118.25 1yic s LYS -2 Ca 0.30 0.44 -0.17 0.00 -1.36 0.00 0.00 55.97 55.18 1yic s LYS -2 Cb 0.01 -3.81 -0.03 0.00 -1.68 0.00 0.00 37.83 32.32 1yic s LYS -2 CO 0.21 -0.92 0.91 0.00 -0.76 0.00 0.00 175.35 174.80 1yic n ALA -1 N 6.63 -0.13 -2.58 5.17 0.00 -1.26 -4.89 120.51 123.45 1yic n ALA -1 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1yic n ALA -1 Cb 0.48 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 1.30 3.82 2.66 0.00 0.00 -1.26 -4.93 105.19 106.78 1yic n GLY 1 Ca 0.13 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 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 0.16 1.86 0.42 1.61 0.01 -1.26 -4.93 113.70 111.57 1yic s SER 2 Ca 0.00 -0.36 0.13 0.00 1.31 0.00 0.00 55.95 57.02 1yic s SER 2 Cb 0.00 -0.06 0.98 0.00 0.21 0.00 0.00 66.02 67.15 1yic s SER 2 CO 0.00 -0.32 1.97 0.00 0.41 0.00 0.00 173.24 175.30 1yic h ALA 3 N 8.40 1.97 0.00 1.44 0.00 -1.88 -2.87 119.26 126.32 1yic h ALA 3 Ca -0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1yic h ALA 3 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1yic h ALA 3 CO 0.26 -0.11 0.34 1.63 0.00 0.00 0.00 179.25 181.37 1yic n LYS 4 N -4.48 0.64 0.00 0.00 5.02 -1.26 -2.20 118.16 115.88 1yic n LYS 4 Ca 0.10 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1yic n LYS 4 Cb 0.36 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1yic n LYS 4 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1yic n LYS 5 N 2.96 0.00 -0.29 1.97 0.00 -1.10 -4.95 118.16 116.75 1yic n LYS 5 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.50 1yic n LYS 5 Cb 0.27 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.50 1yic n LYS 5 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1yic h GLY 6 N 0.00 1.33 -0.08 3.14 0.00 -1.25 -1.09 103.07 105.12 1yic h GLY 6 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1yic h GLY 6 CO 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 176.54 176.45 1yic h ALA 7 N 1.52 -0.37 -0.86 3.60 0.00 -1.72 0.24 119.26 121.68 1yic h ALA 7 Ca 0.44 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.38 1yic h ALA 7 Cb 0.55 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1yic h ALA 7 CO -0.32 -0.42 0.55 1.79 0.00 0.00 0.00 179.25 180.85 1yic h THR 8 N -0.07 1.14 -0.73 0.00 1.35 -1.76 0.81 112.91 113.64 1yic h THR 8 Ca 0.01 -0.37 0.16 0.00 -0.55 0.00 0.00 66.41 65.67 1yic h THR 8 Cb 0.11 -0.03 -0.13 0.00 -1.73 0.00 0.00 68.15 66.37 1yic h THR 8 CO -0.11 0.20 0.01 -0.07 -0.25 0.00 0.00 175.52 175.29 1yic h LEU 9 N 1.07 -0.33 -0.28 3.87 -0.00 -0.83 0.44 115.31 119.26 1yic h LEU 9 Ca 0.34 0.19 -0.18 0.00 -0.00 0.00 0.00 57.88 58.23 1yic h LEU 9 Cb 0.01 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1yic h LEU 9 CO -0.12 -0.17 -0.55 0.15 -0.00 0.00 0.00 178.44 177.76 1yic h PHE 10 N 0.11 1.09 0.00 1.13 3.04 0.71 0.36 116.94 123.38 1yic h PHE 10 Ca 0.40 -0.39 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1yic h PHE 10 Cb 0.69 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 1yic h PHE 10 CO -0.41 1.22 -0.14 0.87 -2.02 0.00 0.00 178.31 177.83 1yic h LYS 11 N 0.64 0.00 0.00 1.11 1.57 0.79 0.12 116.57 120.80 1yic h LYS 11 Ca 0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.57 1yic h LYS 11 Cb 1.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 1yic h LYS 11 CO 0.12 0.14 -2.13 0.25 -0.57 0.00 0.00 179.45 177.26 1yic n THR 12 N -3.44 0.88 -3.07 -0.16 -2.24 0.14 -4.70 114.28 101.70 1yic n THR 12 Ca -0.01 -0.71 -0.16 0.00 -2.27 0.00 0.00 64.05 60.90 1yic n THR 12 Cb 0.31 -0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.60 0.95 0.01 -0.78 1.74 0.13 -4.96 116.66 111.15 1yic n ARG 13 Ca -0.20 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 53.91 1yic n ARG 13 Cb 0.91 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 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 -3.02 0.00 -0.07 0.00 7.94 -0.32 -0.74 117.00 120.78 1yic n LEU 15 Ca 0.00 0.41 -0.07 0.00 -1.11 0.00 0.00 56.01 55.24 1yic n LEU 15 Cb 0.00 -0.41 0.11 0.00 0.53 0.00 0.00 43.42 43.65 1yic n LEU 15 CO 0.00 -0.41 0.73 0.06 -1.11 0.00 0.00 177.39 176.66 1yic h GLN 16 N 0.00 0.73 0.00 1.96 3.07 -1.85 -3.31 115.11 115.72 1yic h GLN 16 Ca 0.00 -0.28 -0.14 0.00 0.09 0.00 0.00 58.65 58.32 1yic h GLN 16 Cb 0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.51 1yic h GLN 16 CO 0.00 0.88 -1.64 0.00 0.09 0.00 0.00 178.83 178.16 1yic n HIS 18 N -2.26 -0.29 -3.66 0.00 8.25 -0.21 -0.92 115.22 116.13 1yic n HIS 18 Ca -0.13 -0.92 -0.14 0.00 -0.26 0.00 0.00 57.72 56.27 1yic n HIS 18 Cb 0.71 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.39 0.04 -0.69 1.59 -4.23 -1.26 -4.26 115.64 105.45 1yic s THR 19 Ca 0.05 -0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1yic s THR 19 Cb -0.00 -0.84 0.31 0.00 1.34 0.00 0.00 72.50 73.30 1yic s THR 19 CO 0.03 -0.19 1.05 0.52 -0.54 0.00 0.00 174.62 175.50 1yic n VAL 20 N 0.86 3.46 -4.15 2.29 0.31 -1.26 -1.22 118.33 118.61 1yic n VAL 20 Ca -0.20 -5.57 -0.13 0.00 -0.01 0.00 0.00 64.34 58.43 1yic n VAL 20 Cb 0.58 -1.64 -0.11 0.00 -0.91 0.00 0.00 33.84 31.76 1yic n VAL 20 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1yic s GLU 21 N -3.30 0.79 0.09 5.55 0.41 -1.26 -4.81 118.70 116.16 1yic s GLU 21 Ca 0.44 -1.16 -0.36 0.00 -0.41 0.00 0.00 54.97 53.48 1yic s GLU 21 Cb 0.22 -0.37 -0.16 0.00 -1.78 0.00 0.00 34.13 32.04 1yic s GLU 21 CO -0.09 0.04 1.40 1.17 -0.49 0.00 0.00 175.26 177.28 1yic n LYS 22 N 0.47 1.33 0.00 1.61 0.00 -1.26 -3.00 118.16 117.31 1yic n LYS 22 Ca -0.16 0.48 0.00 0.00 0.00 0.00 0.00 58.31 58.63 1yic n LYS 22 Cb 0.58 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.47 1yic n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yic n GLY 23 N 2.74 1.28 1.41 3.14 0.00 -1.26 -4.94 105.19 107.55 1yic n GLY 23 Ca 0.18 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.45 3.72 -0.02 0.00 -1.16 -4.87 105.19 98.40 1yic n GLY 24 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -4.05 -0.14 -0.63 1.61 0.04 -1.26 -4.78 135.00 125.79 1yic s PRO 25 Ca 0.00 -0.00 -0.03 0.00 0.04 0.00 0.00 61.00 61.01 1yic s PRO 25 Cb 0.00 -1.72 0.16 0.00 0.04 0.00 0.00 34.50 32.98 1yic s PRO 25 CO 0.00 -3.00 0.44 -1.01 0.04 0.00 0.00 177.00 173.47 1yic s HIS 26 N -3.25 3.43 0.00 0.56 3.76 -1.26 -3.47 115.29 115.05 1yic s HIS 26 Ca 0.69 -2.68 0.00 0.00 -0.15 0.00 0.00 55.06 52.93 1yic s HIS 26 Cb -0.11 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.36 1yic s HIS 26 CO 0.55 -0.85 0.00 1.63 -0.85 0.00 0.00 174.74 175.22 1yic n LYS 27 N 3.54 0.00 -0.04 1.40 5.02 -1.26 -4.87 118.16 121.95 1yic n LYS 27 Ca 0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1yic n LYS 27 Cb 0.38 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.31 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 1.36 -2.06 -0.18 2.07 -1.70 -3.44 116.25 112.30 1yic h VAL 28 Ca 0.00 -1.27 -0.52 0.00 0.82 0.00 0.00 66.70 65.73 1yic h VAL 28 Cb 0.00 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1yic h VAL 28 CO 0.00 0.36 -0.53 -0.83 0.02 0.00 0.00 177.57 176.59 1yic s GLY 29 N -3.37 1.64 0.50 2.17 0.00 -0.10 -5.03 107.32 103.14 1yic s GLY 29 Ca -0.15 -1.60 -0.20 0.00 0.00 0.00 0.00 44.72 42.78 1yic s GLY 29 CO 0.73 -1.59 1.06 2.56 0.00 0.00 0.00 173.10 175.86 1yic s PRO 30 N -3.84 3.67 0.29 2.90 0.04 -1.26 -4.54 135.00 132.26 1yic s PRO 30 Ca 0.35 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 1yic s PRO 30 Cb -0.06 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.27 1yic s PRO 30 CO 0.24 -0.55 0.97 -1.71 0.04 0.00 0.00 177.00 175.99 1yic n ASN 31 N -1.08 1.12 -0.94 6.66 2.85 -1.23 -4.66 115.26 117.98 1yic n ASN 31 Ca 0.10 1.17 -0.00 0.00 -0.11 0.00 0.00 54.58 55.73 1yic n ASN 31 Cb 0.52 -1.27 0.20 0.00 1.24 0.00 0.00 39.78 40.48 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 1.24 3.57 -3.53 1.20 4.77 -0.36 -4.88 117.00 119.02 1yic n LEU 32 Ca 0.10 -3.82 -0.42 0.00 -0.03 0.00 0.00 56.01 51.83 1yic n LEU 32 Cb 0.32 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 1yic n LEU 32 CO 0.60 1.31 1.77 0.00 -1.33 0.00 0.00 177.39 179.74 1yic n HIS 33 N -1.12 0.86 0.00 -1.77 1.44 -1.26 -1.31 115.22 112.06 1yic n HIS 33 Ca 0.28 -1.12 0.00 0.00 -2.01 0.00 0.00 57.72 54.87 1yic n HIS 33 Cb 0.90 -1.19 0.00 0.00 0.12 0.00 0.00 29.99 29.82 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 4.73 1.60 0.29 -1.39 0.00 -1.26 -4.99 105.19 104.17 1yic n GLY 34 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 1.01 -0.12 -0.61 6.09 -1.54 -3.36 117.51 118.98 1yic h ILE 35 Ca 0.00 -0.29 -0.01 0.00 -1.37 0.00 0.00 64.86 63.19 1yic h ILE 35 Cb 0.00 0.09 -0.00 0.00 0.47 0.00 0.00 36.82 37.37 1yic h ILE 35 CO 0.00 0.16 0.09 0.49 -3.07 0.00 0.00 178.15 175.82 1yic n PHE 36 N -4.69 0.88 0.00 2.19 3.01 -1.26 -2.14 117.46 115.46 1yic n PHE 36 Ca 0.11 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1yic n PHE 36 Cb 0.17 -2.46 0.00 0.00 -0.01 0.00 0.00 39.48 37.18 1yic n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yic n GLY 37 N 6.16 2.17 3.82 1.37 0.00 0.11 -4.94 105.19 113.88 1yic n GLY 37 Ca 0.40 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 1.71 0.91 1.61 1.70 -0.91 -4.66 118.95 119.31 1yic s ARG 38 Ca 0.00 0.38 -0.13 0.00 -0.47 0.00 0.00 55.73 55.51 1yic s ARG 38 Cb 0.00 -1.90 0.14 0.00 -0.57 0.00 0.00 34.95 32.62 1yic s ARG 38 CO 0.00 -1.82 1.15 -1.01 -1.08 0.00 0.00 175.30 172.53 1yic s HIS 39 N -3.30 2.44 0.15 5.89 3.76 -1.26 -1.84 115.29 121.13 1yic s HIS 39 Ca 0.62 0.81 -0.31 0.00 -0.15 0.00 0.00 55.06 56.03 1yic s HIS 39 Cb -0.14 -3.43 -0.08 0.00 1.11 0.00 0.00 32.58 30.04 1yic s HIS 39 CO 0.53 -2.38 1.34 -1.54 -0.85 0.00 0.00 174.74 171.84 1yic s SER 40 N -4.11 6.87 0.00 1.40 1.04 0.22 -3.63 113.70 115.49 1yic s SER 40 Ca 0.64 2.33 0.00 0.00 0.48 0.00 0.00 55.95 59.41 1yic s SER 40 Cb -0.14 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1yic s SER 40 CO 0.53 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1yic n GLY 41 N 3.00 0.71 2.39 7.32 0.00 -1.26 -4.54 105.19 112.81 1yic n GLY 41 Ca 0.09 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.55 3.20 -3.11 1.61 6.02 -1.24 -4.94 117.38 118.38 1yic n GLN 42 Ca 0.00 -4.27 -0.35 0.00 -0.01 0.00 0.00 57.00 52.38 1yic n GLN 42 Cb 0.36 -2.14 -0.06 0.00 1.02 0.00 0.00 30.24 29.42 1yic n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yic s ALA 43 N -3.53 3.37 -0.84 -1.58 0.00 -1.26 -4.98 121.76 112.95 1yic s ALA 43 Ca 0.46 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 1yic s ALA 43 Cb 0.40 -2.81 -0.14 0.00 0.00 0.00 0.00 23.12 20.57 1yic s ALA 43 CO -0.10 0.33 1.93 0.39 0.00 0.00 0.00 175.76 178.31 1yic n GLU 44 N 0.31 1.57 0.00 0.00 -0.58 -1.26 -4.68 120.64 116.01 1yic n GLU 44 Ca -0.00 -1.95 0.00 0.00 -0.42 0.00 0.00 57.16 54.79 1yic n GLU 44 Cb 0.52 -3.02 0.00 0.00 -0.57 0.00 0.00 31.44 28.37 1yic n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yic n GLY 45 N 4.66 0.18 5.00 0.62 0.00 -1.26 -5.04 105.19 109.34 1yic n GLY 45 Ca 0.49 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 0.40 0.00 0.00 1.61 9.36 -1.26 -4.62 117.16 122.65 1yic n TYR 46 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1yic n TYR 46 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1yic n TYR 46 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1yic n SER 47 N 2.69 0.00 -1.12 2.98 7.64 -1.26 -4.97 113.62 119.58 1yic n SER 47 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1yic n SER 47 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1yic n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yic n TYR 48 N 0.00 -3.22 -1.66 1.43 4.19 -1.26 -4.82 117.16 111.83 1yic n TYR 48 Ca 0.00 1.34 -0.30 0.00 3.31 0.00 0.00 57.90 62.25 1yic n TYR 48 Cb 0.00 -2.47 0.07 0.00 0.49 0.00 0.00 39.34 37.43 1yic n TYR 48 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1yic s THR 49 N -1.85 3.33 0.23 2.97 -4.23 -1.26 -5.00 115.64 109.84 1yic s THR 49 Ca 0.00 0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 60.86 1yic s THR 49 Cb 0.00 -3.25 0.21 0.00 1.34 0.00 0.00 72.50 70.79 1yic s THR 49 CO 0.00 -0.57 1.89 0.44 -0.54 0.00 0.00 174.62 175.84 1yic h ASP 50 N -0.91 1.04 0.08 3.99 3.32 -1.89 -3.29 116.42 118.76 1yic h ASP 50 Ca -0.46 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 1yic h ASP 50 Cb 1.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1yic h ASP 50 CO 0.60 0.78 -0.13 0.00 -1.72 0.00 0.00 179.24 178.78 1yic h ALA 51 N 1.30 -0.76 -0.21 3.45 0.00 -1.90 0.97 119.26 122.12 1yic h ALA 51 Ca 0.32 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1yic h ALA 51 Cb -0.09 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1yic h ALA 51 CO -0.06 -0.78 -0.23 -0.97 0.00 0.00 0.00 179.25 177.20 1yic h ASN 52 N -0.22 -0.74 -0.63 0.00 -0.73 -1.90 0.20 115.58 111.56 1yic h ASN 52 Ca -0.01 0.13 0.11 0.00 1.87 0.00 0.00 56.30 58.40 1yic h ASN 52 Cb 0.20 0.34 -0.08 0.00 0.27 0.00 0.00 38.32 39.05 1yic h ASN 52 CO -0.04 -0.27 0.20 0.40 -0.37 0.00 0.00 177.43 177.34 1yic h ILE 53 N -0.26 0.69 -0.32 2.57 2.04 -1.59 0.63 117.51 121.27 1yic h ILE 53 Ca 0.12 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 1yic h ILE 53 Cb 0.45 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1yic h ILE 53 CO -0.36 0.06 0.02 0.50 0.00 0.00 0.00 178.15 178.38 1yic h LYS 54 N 0.35 0.56 -0.40 2.37 1.63 -0.40 -3.29 116.57 117.39 1yic h LYS 54 Ca 0.33 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1yic h LYS 54 Cb 0.47 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 1yic h LYS 54 CO -0.37 0.68 0.21 -0.22 -3.45 0.00 0.00 179.45 176.30 1yic h LYS 55 N 0.37 0.42 -4.86 1.90 1.63 0.14 -3.48 116.57 112.69 1yic h LYS 55 Ca 0.09 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.71 1yic h LYS 55 Cb 0.41 -0.09 0.13 0.00 -0.60 0.00 0.00 32.23 32.08 1yic h LYS 55 CO 0.01 0.27 -0.55 -1.71 -3.45 0.00 0.00 179.45 174.03 1yic n ASN 56 N -4.90 -5.70 -4.78 4.20 5.15 0.01 -5.02 115.26 104.21 1yic n ASN 56 Ca 0.02 -0.46 -0.37 0.00 -0.60 0.00 0.00 54.58 53.17 1yic n ASN 56 Cb 0.09 -4.14 -0.07 0.00 -0.53 0.00 0.00 39.78 35.13 1yic n ASN 56 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1yic s VAL 57 N -3.25 5.33 0.21 3.44 1.01 -1.26 -4.78 120.40 121.10 1yic s VAL 57 Ca 0.30 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1yic s VAL 57 Cb -0.04 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 1yic s VAL 57 CO 0.57 0.49 1.13 -0.22 0.00 0.00 0.00 175.10 177.06 1yic s LEU 58 N -0.16 4.49 -0.54 3.92 2.96 -1.26 0.69 118.68 128.78 1yic s LEU 58 Ca 0.16 2.19 -0.18 0.00 -0.22 0.00 0.00 54.13 56.08 1yic s LEU 58 Cb -0.13 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.03 1yic s LEU 58 CO 0.04 -0.25 0.62 0.26 -1.32 0.00 0.00 176.35 175.70 1yic s TRP 59 N -0.46 3.07 0.00 5.38 0.23 -0.77 -4.55 118.94 121.84 1yic s TRP 59 Ca 0.49 -0.80 0.00 0.00 -2.03 0.00 0.00 56.10 53.76 1yic s TRP 59 Cb -0.31 -3.70 0.00 0.00 0.03 0.00 0.00 33.47 29.49 1yic s TRP 59 CO 0.37 -1.11 0.00 -0.40 0.96 0.00 0.00 176.95 176.78 1yic n ASP 60 N 6.05 0.00 0.00 2.95 5.68 -1.26 0.09 116.55 130.06 1yic n ASP 60 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1yic n ASP 60 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1yic n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1yic n GLU 61 N 0.00 0.00 0.15 0.11 1.02 -1.26 -4.66 120.64 116.01 1yic n GLU 61 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1yic n GLU 61 Cb 0.00 -0.04 -0.08 0.00 -0.02 0.00 0.00 31.44 31.30 1yic n GLU 61 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1yic h ASN 62 N 0.00 -0.29 0.14 1.62 -1.07 -1.97 0.16 115.58 114.17 1yic h ASN 62 Ca 0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 56.30 56.30 1yic h ASN 62 Cb 0.00 0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 1yic h ASN 62 CO 0.00 -0.11 -0.07 -1.13 0.07 0.00 0.00 177.43 176.19 1yic h ASN 63 N -0.45 -0.15 -0.54 6.14 -1.24 -1.91 -2.79 115.58 114.65 1yic h ASN 63 Ca -0.03 -0.24 0.09 0.00 0.71 0.00 0.00 56.30 56.83 1yic h ASN 63 Cb 0.34 0.04 -0.07 0.00 0.73 0.00 0.00 38.32 39.35 1yic h ASN 63 CO 0.06 0.16 0.14 -0.03 -1.29 0.00 0.00 177.43 176.46 1yic h MET 64 N -0.48 0.27 -0.43 6.67 4.05 -1.79 -0.26 114.93 122.95 1yic h MET 64 Ca -0.02 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.45 1yic h MET 64 Cb 0.38 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.06 1yic h MET 64 CO 0.03 0.18 0.09 0.66 0.23 0.00 0.00 176.91 178.11 1yic h SER 65 N 0.28 0.02 -0.04 1.39 4.64 -0.53 0.14 113.55 119.46 1yic h SER 65 Ca 0.27 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1yic h SER 65 Cb 0.36 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1yic h SER 65 CO -0.33 0.05 0.01 -0.33 -0.87 0.00 0.00 176.83 175.36 1yic h GLU 66 N 0.23 0.06 -0.57 4.77 4.39 -1.14 0.23 114.58 122.54 1yic h GLU 66 Ca 0.21 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.97 1yic h GLU 66 Cb 0.25 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.80 1yic h GLU 66 CO -0.27 0.21 -0.53 -0.92 -1.16 0.00 0.00 179.01 176.34 1yic h TYR 67 N -0.10 -1.61 -0.03 4.33 3.20 -0.41 -0.70 116.97 121.65 1yic h TYR 67 Ca 0.01 0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 1yic h TYR 67 Cb 0.17 0.78 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1yic h TYR 67 CO -0.02 -0.45 -0.51 -0.07 -1.64 0.00 0.00 178.16 175.48 1yic h LEU 68 N -0.27 0.09 -1.96 2.82 3.38 -0.57 0.46 115.31 119.26 1yic h LEU 68 Ca 0.12 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1yic h LEU 68 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1yic h LEU 68 CO -0.69 0.58 0.14 0.74 0.09 0.00 0.00 178.44 179.30 1yic h THR 69 N 0.06 0.92 -0.64 0.22 2.02 0.40 -2.43 112.91 113.47 1yic h THR 69 Ca -0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1yic h THR 69 Cb 0.92 0.87 -0.16 0.00 -1.74 0.00 0.00 68.15 68.04 1yic h THR 69 CO 0.07 0.01 -0.33 0.20 0.37 0.00 0.00 175.52 175.84 1yic s ASN 70 N -6.76 -0.93 0.00 4.18 0.01 -0.36 -2.34 114.94 108.73 1yic s ASN 70 Ca -0.05 -1.11 0.00 0.00 -0.71 0.00 0.00 52.86 50.98 1yic s ASN 70 Cb 0.18 1.22 0.00 0.00 0.41 0.00 0.00 41.25 43.06 1yic s ASN 70 CO 0.69 -0.03 1.67 -0.81 -1.51 0.00 0.00 177.10 177.11 1yic n PRO 71 N 2.79 0.90 0.00 -0.60 -0.04 0.15 -1.99 135.00 136.22 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 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 1yic n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1yic n LYS 73 N 1.39 0.00 -0.11 0.54 3.00 -1.26 -0.14 118.16 121.58 1yic n LYS 73 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1yic n LYS 73 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.50 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 -0.01 -3.40 5.64 5.03 -1.74 -3.31 116.97 119.18 1yic h TYR 74 Ca 0.00 0.03 -0.66 0.00 2.58 0.00 0.00 58.73 60.68 1yic h TYR 74 Cb 0.00 0.06 -0.39 0.00 1.55 0.00 0.00 36.73 37.95 1yic h TYR 74 CO 0.00 -0.07 -0.54 0.42 -1.32 0.00 0.00 178.16 176.66 1yic s ILE 75 N -6.18 2.97 -0.52 1.81 1.01 0.80 -5.05 121.20 116.03 1yic s ILE 75 Ca -0.13 -3.34 -0.27 0.00 0.00 0.00 0.00 60.65 56.91 1yic s ILE 75 Cb 0.13 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1yic s ILE 75 CO 0.71 -0.85 2.02 -2.16 0.00 0.00 0.00 174.94 174.66 1yic s PRO 76 N -0.38 2.59 0.00 2.79 0.04 -1.25 -1.81 135.00 136.98 1yic s PRO 76 Ca 0.18 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1yic s PRO 76 Cb -0.22 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 29.90 1yic s PRO 76 CO -0.03 -2.74 0.00 0.41 0.04 0.00 0.00 177.00 174.68 1yic n GLY 77 N 5.75 1.68 1.64 0.56 0.00 -1.26 -4.89 105.19 108.67 1yic n GLY 77 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.73 2.27 0.00 2.61 5.66 -0.75 -4.71 114.28 118.63 1yic n THR 78 Ca 0.00 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 1yic n THR 78 Cb 0.00 -1.62 0.00 0.00 -1.55 0.00 0.00 70.33 67.16 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 1.73 0.00 -3.52 1.09 2.85 -1.26 -4.77 118.16 114.28 1yic n LYS 79 Ca 0.12 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.96 1yic n LYS 79 Cb 0.61 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.92 1yic n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1yic s MET 80 N 0.00 2.81 -0.83 -1.58 1.75 -1.26 -4.93 119.30 115.25 1yic s MET 80 Ca 0.00 -2.10 -0.08 0.00 -1.25 0.00 0.00 55.69 52.26 1yic s MET 80 Cb 0.00 -4.03 -0.16 0.00 2.84 0.00 0.00 34.83 33.48 1yic s MET 80 CO 0.00 -1.22 3.11 0.00 -0.65 0.00 0.00 175.02 176.26 1yic n ALA 81 N 4.39 6.66 -2.19 4.11 0.00 -1.26 -4.91 120.51 127.32 1yic n ALA 81 Ca 0.00 -2.59 -0.39 0.00 0.00 0.00 0.00 53.44 50.47 1yic n ALA 81 Cb 0.41 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 16.94 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 1.79 3.83 0.20 0.00 5.36 -1.26 -4.97 117.98 122.93 1yic s PHE 82 Ca 0.64 1.45 -0.23 0.00 -0.96 0.00 0.00 56.93 57.84 1yic s PHE 82 Cb 0.23 -2.67 0.11 0.00 -0.34 0.00 0.00 43.02 40.34 1yic s PHE 82 CO -0.03 0.49 1.55 0.78 -1.46 0.00 0.00 175.22 176.54 1yic h GLY 83 N 4.72 -0.31 -2.28 13.12 0.00 -1.96 -3.48 103.07 112.88 1yic h GLY 83 Ca -0.47 0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1yic h GLY 83 CO 0.66 -0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.71 1yic n GLY 84 N -1.38 -2.18 0.44 4.60 0.00 -1.26 -4.81 105.19 100.59 1yic n GLY 84 Ca 0.06 -0.46 0.29 0.00 0.00 0.00 0.00 46.02 45.92 1yic n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yic h LEU 85 N 0.00 0.34 -1.58 0.99 3.38 -1.60 -3.45 115.31 113.39 1yic h LEU 85 Ca 0.00 0.10 -0.58 0.00 0.09 0.00 0.00 57.88 57.49 1yic h LEU 85 Cb 0.00 0.06 -0.23 0.00 0.09 0.00 0.00 40.66 40.58 1yic h LEU 85 CO 0.00 -0.03 -0.91 2.29 0.09 0.00 0.00 178.44 179.88 1yic n LYS 86 N -4.63 -1.87 -2.55 1.13 2.85 -0.99 -4.88 118.16 107.22 1yic n LYS 86 Ca 0.30 0.23 -0.05 0.00 -1.05 0.00 0.00 58.31 57.74 1yic n LYS 86 Cb 1.13 -4.43 -0.02 0.00 -0.65 0.00 0.00 35.03 31.06 1yic n LYS 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1yic n LYS 87 N -4.36 0.14 0.00 -1.58 4.01 -1.26 -5.09 118.16 110.01 1yic n LYS 87 Ca -0.11 -0.92 0.00 0.00 -0.51 0.00 0.00 58.31 56.77 1yic n LYS 87 Cb 0.58 0.78 0.00 0.00 -0.51 0.00 0.00 35.03 35.88 1yic n LYS 87 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1yic n GLU 88 N -0.18 0.22 -0.08 1.97 0.00 -1.26 -4.66 120.64 116.64 1yic n GLU 88 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.04 1yic n GLU 88 Cb 0.17 -0.83 -0.07 0.00 0.00 0.00 0.00 31.44 30.71 1yic n GLU 88 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1yic h LYS 89 N 0.00 0.00 -0.57 3.44 3.64 -1.99 -3.26 116.57 117.83 1yic h LYS 89 Ca 0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1yic h LYS 89 Cb 0.65 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.38 1yic h LYS 89 CO 0.00 0.56 0.05 -0.44 -2.27 0.00 0.00 179.45 177.35 1yic h ASP 90 N -1.00 -0.15 -0.91 4.20 5.19 -1.94 0.38 116.42 122.19 1yic h ASP 90 Ca -0.17 0.13 0.10 0.00 -0.62 0.00 0.00 57.03 56.48 1yic h ASP 90 Cb 0.89 0.21 -0.07 0.00 0.18 0.00 0.00 39.33 40.54 1yic h ASP 90 CO -0.10 -0.06 0.59 0.08 -3.12 0.00 0.00 179.24 176.63 1yic h ARG 91 N 0.17 0.87 -0.06 3.56 -0.00 -1.83 -0.66 114.38 116.42 1yic h ARG 91 Ca 0.30 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.98 60.20 1yic h ARG 91 Cb 0.46 -0.20 -0.00 0.00 -0.00 0.00 0.00 29.97 30.23 1yic h ARG 91 CO -0.45 0.57 -0.05 -0.91 -0.00 0.00 0.00 179.97 179.14 1yic h ASN 92 N 0.89 0.15 -0.24 0.08 2.35 -0.40 0.20 115.58 118.60 1yic h ASN 92 Ca 0.43 -0.45 0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1yic h ASN 92 Cb 0.45 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.70 1yic h ASN 92 CO -0.19 0.57 -0.37 0.44 -1.65 0.00 0.00 177.43 176.22 1yic h ASP 93 N -0.26 -1.20 0.23 5.81 3.32 -0.50 0.20 116.42 124.01 1yic h ASP 93 Ca 0.01 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1yic h ASP 93 Cb 0.52 0.52 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1yic h ASP 93 CO 0.01 -0.37 -0.21 0.25 -1.72 0.00 0.00 179.24 177.20 1yic h LEU 94 N -0.38 -0.54 -0.11 1.55 5.85 -1.06 -1.12 115.31 119.49 1yic h LEU 94 Ca 0.11 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1yic h LEU 94 Cb 0.58 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1yic h LEU 94 CO -0.45 -0.31 -0.30 0.40 -0.34 0.00 0.00 178.44 177.44 1yic h ILE 95 N -0.46 0.33 -0.43 4.05 1.08 -0.23 0.78 117.51 122.62 1yic h ILE 95 Ca -0.01 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.52 1yic h ILE 95 Cb 0.42 0.33 -0.05 0.00 -3.07 0.00 0.00 36.82 34.44 1yic h ILE 95 CO -0.03 0.00 0.12 0.00 -0.69 0.00 0.00 178.15 177.55 1yic h THR 96 N -0.38 0.81 0.33 -0.27 1.03 -0.50 0.24 112.91 114.17 1yic h THR 96 Ca 0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1yic h THR 96 Cb 0.52 0.53 -0.03 0.00 -1.07 0.00 0.00 68.15 68.10 1yic h THR 96 CO -0.32 0.05 -0.47 0.22 -0.01 0.00 0.00 175.52 174.98 1yic h TYR 97 N 0.26 -1.32 -0.84 0.00 3.20 -0.66 -1.49 116.97 116.13 1yic h TYR 97 Ca 0.21 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.20 1yic h TYR 97 Cb 0.23 0.54 -0.08 0.00 1.54 0.00 0.00 36.73 38.96 1yic h TYR 97 CO -0.18 -0.60 0.47 -0.07 -1.64 0.00 0.00 178.16 176.14 1yic h LEU 98 N -0.85 0.66 -0.01 2.82 3.38 -0.25 0.11 115.31 121.17 1yic h LEU 98 Ca -0.03 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1yic h LEU 98 Cb 0.79 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1yic h LEU 98 CO -0.15 0.36 -0.38 0.50 0.09 0.00 0.00 178.44 178.87 1yic h LYS 99 N 0.77 -0.51 -0.16 1.13 1.63 -0.27 0.34 116.57 119.51 1yic h LYS 99 Ca 0.41 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.24 1yic h LYS 99 Cb 0.42 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1yic h LYS 99 CO -0.27 -0.34 0.09 -0.22 -3.45 0.00 0.00 179.45 175.27 1yic h LYS 100 N -0.52 0.22 -0.34 1.90 3.64 -0.07 -0.51 116.57 120.89 1yic h LYS 100 Ca 0.06 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1yic h LYS 100 Cb 0.61 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1yic h LYS 100 CO -0.31 0.21 0.04 0.00 -2.27 0.00 0.00 179.45 177.12 1yic h ALA 101 N 1.00 1.44 -0.04 5.00 0.00 -0.65 -3.02 119.26 122.98 1yic h ALA 101 Ca 0.06 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1yic h ALA 101 Cb 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1yic h ALA 101 CO -0.01 0.40 -0.87 0.66 0.00 0.00 0.00 179.25 179.44 1yic h SER 102 N 0.50 0.83 0.00 0.00 4.64 0.01 -3.47 113.55 116.06 1yic h SER 102 Ca 0.11 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1yic h SER 102 Cb 0.27 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1yic h SER 102 CO 0.00 1.43 0.00 -0.62 -0.87 0.00 0.00 176.83 176.77