#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 2.25 -3.13 -0.78 -0.00 -1.26 -4.91 120.64 112.81 1yic n GLU -4 Ca 0.00 -3.08 -0.45 0.00 -0.00 0.00 0.00 57.16 53.63 1yic n GLU -4 Cb 0.00 -1.89 -0.02 0.00 -0.00 0.00 0.00 31.44 29.53 1yic n GLU -4 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1yic s PHE -3 N -3.14 3.42 0.57 -1.84 5.36 -1.26 -4.87 117.98 116.22 1yic s PHE -3 Ca 0.46 -1.66 0.35 0.00 -0.96 0.00 0.00 56.93 55.12 1yic s PHE -3 Cb 0.40 -4.05 1.96 0.00 -0.34 0.00 0.00 43.02 40.99 1yic s PHE -3 CO 0.04 -1.24 2.26 0.87 -1.46 0.00 0.00 175.22 175.69 1yic h LYS -2 N 8.35 0.00 -4.32 10.12 1.79 -1.94 -3.48 116.57 127.09 1yic h LYS -2 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1yic h LYS -2 Cb 1.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 1yic h LYS -2 CO 0.94 0.02 -0.90 0.00 -1.08 0.00 0.00 179.45 178.42 1yic n ALA -1 N -2.23 -2.40 -1.71 3.86 0.00 -1.26 -5.09 120.51 111.68 1yic n ALA -1 Ca -0.03 0.67 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1yic n ALA -1 Cb 0.11 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.51 1.61 3.08 0.00 0.00 -1.26 -5.06 105.19 105.06 1yic n GLY 1 Ca -0.06 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.00 1.30 0.56 1.61 0.01 -1.26 -4.93 113.70 109.99 1yic s SER 2 Ca 0.00 -0.31 0.27 0.00 1.31 0.00 0.00 55.95 57.22 1yic s SER 2 Cb 0.00 -0.11 1.47 0.00 0.21 0.00 0.00 66.02 67.60 1yic s SER 2 CO 0.00 0.06 1.98 0.00 0.41 0.00 0.00 173.24 175.69 1yic h ALA 3 N 5.43 2.31 -1.44 1.44 0.00 -1.83 -3.38 119.26 121.80 1yic h ALA 3 Ca -0.34 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 53.88 1yic h ALA 3 Cb 1.18 0.04 0.08 0.00 0.00 0.00 0.00 17.79 19.09 1yic h ALA 3 CO 0.47 -0.63 0.01 1.17 0.00 0.00 0.00 179.25 180.27 1yic n LYS 4 N -4.09 0.67 0.00 0.00 4.81 -1.26 -0.79 118.16 117.49 1yic n LYS 4 Ca 0.08 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1yic n LYS 4 Cb 0.59 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 34.05 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 1.40 0.00 -0.28 1.64 3.00 -1.26 -4.76 118.16 117.90 1yic n LYS 5 Ca 0.16 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.55 1yic n LYS 5 Cb 0.22 -0.01 0.21 0.00 0.00 0.00 0.00 35.03 35.46 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 1.03 -0.17 3.14 0.00 -1.07 0.10 103.07 106.09 1yic h GLY 6 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1yic h GLY 6 CO 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 176.54 175.82 1yic h ALA 7 N 1.75 -0.71 -0.76 3.60 0.00 -1.82 0.46 119.26 121.79 1yic h ALA 7 Ca 0.47 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1yic h ALA 7 Cb 0.88 0.93 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 1yic h ALA 7 CO -0.69 -0.87 0.50 1.79 0.00 0.00 0.00 179.25 179.98 1yic h THR 8 N -0.36 1.18 -0.89 0.00 1.35 -1.32 0.51 112.91 113.38 1yic h THR 8 Ca 0.03 -0.35 0.20 0.00 -0.55 0.00 0.00 66.41 65.75 1yic h THR 8 Cb 0.46 0.08 -0.12 0.00 -1.73 0.00 0.00 68.15 66.84 1yic h THR 8 CO -0.35 0.19 0.41 -0.07 -0.25 0.00 0.00 175.52 175.45 1yic h LEU 9 N 1.02 0.39 -0.01 3.87 -0.00 -0.45 0.39 115.31 120.52 1yic h LEU 9 Ca 0.28 0.14 -0.26 0.00 -0.00 0.00 0.00 57.88 58.04 1yic h LEU 9 Cb -0.10 0.10 0.02 0.00 -0.00 0.00 0.00 40.66 40.68 1yic h LEU 9 CO -0.07 0.06 -1.00 0.15 -0.00 0.00 0.00 178.44 177.58 1yic h PHE 10 N 0.46 1.03 0.00 1.13 3.04 0.22 0.24 116.94 123.06 1yic h PHE 10 Ca 0.54 -0.55 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1yic h PHE 10 Cb 0.97 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 1yic h PHE 10 CO -0.12 1.39 -0.21 0.87 -2.02 0.00 0.00 178.31 178.22 1yic h LYS 11 N 0.38 0.00 0.03 1.11 1.57 0.94 0.27 116.57 120.87 1yic h LYS 11 Ca -0.12 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.34 1yic h LYS 11 Cb 1.65 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.92 1yic h LYS 11 CO 0.20 0.21 -1.85 0.25 -0.57 0.00 0.00 179.45 177.68 1yic n THR 12 N -4.20 1.63 -3.18 -0.16 -2.24 0.12 -4.60 114.28 101.66 1yic n THR 12 Ca -0.02 -0.76 -0.18 0.00 -2.27 0.00 0.00 64.05 60.82 1yic n THR 12 Cb 0.27 -1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 67.29 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 -3.14 0.97 0.03 -0.78 1.74 0.84 -4.90 116.66 111.42 1yic n ARG 13 Ca -0.23 -3.34 0.00 0.00 -0.77 0.00 0.00 57.85 53.51 1yic n ARG 13 Cb 1.06 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 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 -2.91 0.24 0.06 0.00 7.94 0.04 -0.83 117.00 121.54 1yic n LEU 15 Ca 0.00 0.56 -0.01 0.00 -1.11 0.00 0.00 56.01 55.45 1yic n LEU 15 Cb 0.00 -0.57 0.28 0.00 0.53 0.00 0.00 43.42 43.67 1yic n LEU 15 CO 0.00 -0.64 0.81 0.06 -1.11 0.00 0.00 177.39 176.51 1yic h GLN 16 N 0.00 0.37 0.00 1.96 3.07 -1.81 -3.23 115.11 115.47 1yic h GLN 16 Ca 0.00 -0.11 -0.18 0.00 0.09 0.00 0.00 58.65 58.44 1yic h GLN 16 Cb 0.19 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.68 1yic h GLN 16 CO 0.00 0.55 -1.68 0.00 0.09 0.00 0.00 178.83 177.79 1yic n HIS 18 N -2.39 -0.26 -3.53 0.00 8.25 -0.37 -0.84 115.22 116.07 1yic n HIS 18 Ca -0.17 -0.34 -0.18 0.00 -0.26 0.00 0.00 57.72 56.78 1yic n HIS 18 Cb 0.82 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.82 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 -1.01 0.00 -0.73 1.59 -4.23 -1.26 -4.29 115.64 105.71 1yic s THR 19 Ca 0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 1yic s THR 19 Cb -0.00 -0.98 0.40 0.00 1.34 0.00 0.00 72.50 73.25 1yic s THR 19 CO 0.01 -0.01 1.94 0.55 -0.54 0.00 0.00 174.62 176.57 1yic n VAL 20 N 1.00 3.50 -3.66 2.29 3.14 -1.26 -1.09 118.33 122.25 1yic n VAL 20 Ca -0.19 -3.77 -0.37 0.00 -2.96 0.00 0.00 64.34 57.06 1yic n VAL 20 Cb 0.57 -1.20 -0.06 0.00 -1.06 0.00 0.00 33.84 32.09 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 -3.92 3.70 -0.59 1.45 2.02 -1.26 -4.78 118.70 115.32 1yic s GLU 21 Ca 0.57 0.15 -0.06 0.00 0.02 0.00 0.00 54.97 55.65 1yic s GLU 21 Cb 0.47 -3.16 -0.14 0.00 0.10 0.00 0.00 34.13 31.40 1yic s GLU 21 CO -0.22 0.69 2.64 0.36 0.02 0.00 0.00 175.26 178.76 1yic n LYS 22 N 1.63 2.09 0.00 1.61 2.85 -1.26 -2.27 118.16 122.81 1yic n LYS 22 Ca -0.14 -1.23 0.00 0.00 -1.05 0.00 0.00 58.31 55.88 1yic n LYS 22 Cb 0.53 -2.22 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 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 3.14 0.22 3.80 2.58 0.00 -1.26 -5.13 105.19 108.54 1yic n GLY 23 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.42 1.59 0.00 -0.02 0.00 -0.96 -5.04 107.32 102.48 1yic s GLY 24 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1yic s GLY 24 CO 0.00 0.10 0.28 -1.55 0.00 0.00 0.00 173.10 171.92 1yic n PRO 25 N -3.62 0.00 0.00 2.90 -0.04 -1.26 -4.82 135.00 128.15 1yic n PRO 25 Ca 0.07 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1yic n PRO 25 Cb 0.58 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 1yic n PRO 25 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1yic n HIS 26 N -0.89 0.00 0.00 0.54 8.25 -1.26 -4.79 115.22 117.07 1yic n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1yic n HIS 26 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1yic n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1yic n LYS 27 N 0.00 0.00 0.14 -0.41 5.02 -1.26 -4.86 118.16 116.79 1yic n LYS 27 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1yic n LYS 27 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 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 0.31 -2.22 -0.18 2.07 -1.66 -3.46 116.25 111.12 1yic h VAL 28 Ca 0.00 -0.78 -0.48 0.00 0.82 0.00 0.00 66.70 66.26 1yic h VAL 28 Cb 0.00 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1yic h VAL 28 CO 0.00 0.08 -0.45 -0.83 0.02 0.00 0.00 177.57 176.38 1yic s GLY 29 N -3.04 1.29 0.51 2.17 0.00 -0.02 -5.03 107.32 103.20 1yic s GLY 29 Ca -0.10 -1.26 -0.20 0.00 0.00 0.00 0.00 44.72 43.17 1yic s GLY 29 CO 0.33 -1.28 1.06 2.56 0.00 0.00 0.00 173.10 175.77 1yic s PRO 30 N -3.89 3.65 0.34 2.90 0.04 -1.26 -4.47 135.00 132.30 1yic s PRO 30 Ca 0.34 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 1yic s PRO 30 Cb -0.09 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 1yic s PRO 30 CO 0.28 -0.56 0.79 0.09 0.04 0.00 0.00 177.00 177.64 1yic n ASN 31 N -1.17 0.22 -1.87 6.66 3.02 -1.26 -4.67 115.26 116.19 1yic n ASN 31 Ca 0.10 1.06 -0.13 0.00 -0.03 0.00 0.00 54.58 55.57 1yic n ASN 31 Cb 0.52 -1.20 0.18 0.00 -0.61 0.00 0.00 39.78 38.68 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 1.22 5.62 -4.60 3.41 4.32 -0.25 -4.87 117.00 121.85 1yic n LEU 32 Ca 0.11 -2.96 -0.42 0.00 -0.02 0.00 0.00 56.01 52.72 1yic n LEU 32 Cb 0.35 -0.74 -0.03 0.00 -1.62 0.00 0.00 43.42 41.38 1yic n LEU 32 CO 0.57 0.84 1.88 -2.28 -1.22 0.00 0.00 177.39 177.17 1yic s HIS 33 N -2.51 1.14 -1.49 -1.77 5.65 -1.26 -0.56 115.29 114.49 1yic s HIS 33 Ca 0.44 0.65 -0.06 0.00 0.25 0.00 0.00 55.06 56.34 1yic s HIS 33 Cb 0.36 -3.89 0.02 0.00 -1.18 0.00 0.00 32.58 27.89 1yic s HIS 33 CO 0.09 -3.94 0.59 0.41 -0.65 0.00 0.00 174.74 171.24 1yic n GLY 34 N 5.80 -0.52 0.11 1.59 0.00 -1.26 -4.88 105.19 106.03 1yic n GLY 34 Ca 0.31 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.32 0.97 -3.61 -0.61 6.09 -1.11 -3.39 117.51 114.54 1yic h ILE 35 Ca -0.51 -0.07 -0.53 0.00 -1.37 0.00 0.00 64.86 62.39 1yic h ILE 35 Cb 1.35 0.76 0.07 0.00 0.47 0.00 0.00 36.82 39.47 1yic h ILE 35 CO 0.56 0.03 0.75 -0.36 -3.07 0.00 0.00 178.15 176.06 1yic s PHE 36 N -6.18 2.91 0.00 2.19 0.08 -1.26 -3.06 117.98 112.66 1yic s PHE 36 Ca -0.13 1.12 0.00 0.00 0.12 0.00 0.00 56.93 58.04 1yic s PHE 36 Cb 0.09 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1yic s PHE 36 CO 0.69 -2.64 0.00 0.41 -0.10 0.00 0.00 175.22 173.58 1yic n GLY 37 N 1.52 3.17 1.04 4.36 0.00 0.83 -4.81 105.19 111.30 1yic n GLY 37 Ca 0.04 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 1yic n GLY 37 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yic n ARG 38 N 0.00 0.31 -3.29 1.61 1.85 -1.17 -4.69 116.66 111.28 1yic n ARG 38 Ca 0.00 -0.70 -0.20 0.00 -1.00 0.00 0.00 57.85 55.94 1yic n ARG 38 Cb 0.00 -0.20 0.00 0.00 -1.05 0.00 0.00 32.46 31.21 1yic n ARG 38 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1yic s HIS 39 N -0.81 3.15 -1.02 2.89 3.76 -1.26 -0.77 115.29 121.22 1yic s HIS 39 Ca 0.18 -0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.78 1yic s HIS 39 Cb -0.01 -2.12 -0.13 0.00 1.11 0.00 0.00 32.58 31.43 1yic s HIS 39 CO 0.12 -0.15 2.08 -1.54 -0.85 0.00 0.00 174.74 174.40 1yic s SER 40 N -4.19 4.39 0.00 1.40 1.04 0.62 -3.42 113.70 113.53 1yic s SER 40 Ca 0.46 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1yic s SER 40 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1yic s SER 40 CO 0.34 -3.64 0.00 0.61 0.98 0.00 0.00 173.24 171.53 1yic n GLY 41 N 6.32 0.00 2.39 7.32 0.00 -1.26 -3.64 105.19 116.32 1yic n GLY 41 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 1.05 -3.64 1.61 6.02 -1.22 -5.02 117.38 116.19 1yic n GLN 42 Ca 0.00 -3.66 -0.22 0.00 -0.01 0.00 0.00 57.00 53.11 1yic n GLN 42 Cb 0.00 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.54 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 -1.10 4.07 -0.30 -1.58 0.00 -1.26 -4.94 121.76 116.64 1yic s ALA 43 Ca 0.34 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.45 1yic s ALA 43 Cb 0.10 -0.93 0.08 0.00 0.00 0.00 0.00 23.12 22.37 1yic s ALA 43 CO -0.13 -0.26 0.97 -0.85 0.00 0.00 0.00 175.76 175.50 1yic n GLU 44 N -1.56 1.24 -1.96 0.00 0.28 -1.26 -4.87 120.64 112.50 1yic n GLU 44 Ca 0.03 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.67 1yic n GLU 44 Cb 0.62 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 32.22 1yic n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yic n GLY 45 N 0.24 -0.29 0.31 -1.84 0.00 -1.26 -5.18 105.19 97.17 1yic n GLY 45 Ca 0.06 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 9.00 -0.85 0.26 1.61 9.36 -1.26 -4.84 117.16 130.44 1yic n TYR 46 Ca 0.00 0.46 0.12 0.00 3.32 0.00 0.00 57.90 61.80 1yic n TYR 46 Cb 0.00 -1.17 0.10 0.00 -0.63 0.00 0.00 39.34 37.63 1yic n TYR 46 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1yic h SER 47 N 0.08 0.00 -0.09 2.98 4.64 -2.02 -3.50 113.55 115.64 1yic h SER 47 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1yic h SER 47 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1yic h SER 47 CO 0.00 0.03 0.00 -1.22 -0.87 0.00 0.00 176.83 174.77 1yic n TYR 48 N -2.62 -1.04 -4.39 4.77 4.01 -1.26 -4.85 117.16 111.78 1yic n TYR 48 Ca 0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.57 1yic n TYR 48 Cb 0.51 0.20 -0.15 0.00 -0.31 0.00 0.00 39.34 39.59 1yic n TYR 48 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1yic s THR 49 N 0.00 0.75 0.35 -0.72 2.01 -1.26 -5.04 115.64 111.73 1yic s THR 49 Ca 0.00 -0.40 0.14 0.00 0.31 0.00 0.00 61.69 61.74 1yic s THR 49 Cb 0.00 -0.63 0.35 0.00 0.01 0.00 0.00 72.50 72.23 1yic s THR 49 CO 0.00 0.21 1.72 0.44 -0.69 0.00 0.00 174.62 176.31 1yic h ASP 50 N 5.96 0.56 0.35 3.53 3.32 -1.93 0.08 116.42 128.29 1yic h ASP 50 Ca -0.31 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1yic h ASP 50 Cb 1.18 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1yic h ASP 50 CO 0.49 0.04 -0.23 0.00 -1.72 0.00 0.00 179.24 177.83 1yic h ALA 51 N 1.71 -1.06 -0.19 3.45 0.00 -1.88 0.11 119.26 121.42 1yic h ALA 51 Ca 0.66 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.49 1yic h ALA 51 Cb 1.45 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 1yic h ALA 51 CO -0.44 -1.04 -0.07 -0.97 0.00 0.00 0.00 179.25 176.72 1yic h ASN 52 N -0.55 -0.25 0.31 0.00 -1.24 -1.64 0.16 115.58 112.36 1yic h ASN 52 Ca -0.05 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1yic h ASN 52 Cb 0.45 0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.62 1yic h ASN 52 CO 0.04 -0.10 -0.36 0.40 -1.29 0.00 0.00 177.43 176.12 1yic h ILE 53 N -0.04 0.26 -0.18 2.57 2.04 -1.07 -3.18 117.51 117.91 1yic h ILE 53 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1yic h ILE 53 Cb 0.19 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1yic h ILE 53 CO -0.22 0.00 0.11 0.50 0.00 0.00 0.00 178.15 178.54 1yic h LYS 54 N -0.71 0.24 -5.72 2.37 3.64 -0.41 -3.24 116.57 112.74 1yic h LYS 54 Ca -0.01 -0.02 -0.46 0.00 -1.27 0.00 0.00 60.65 58.88 1yic h LYS 54 Cb 0.66 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1yic h LYS 54 CO -0.09 0.19 1.40 0.21 -2.27 0.00 0.00 179.45 178.89 1yic s LYS 55 N -6.05 3.09 -0.31 1.90 2.20 0.01 -4.93 119.74 115.65 1yic s LYS 55 Ca -0.13 -1.24 -0.28 0.00 -0.36 0.00 0.00 55.97 53.96 1yic s LYS 55 Cb 0.08 -5.31 -0.04 0.00 -1.51 0.00 0.00 37.83 31.04 1yic s LYS 55 CO 0.69 -3.12 2.12 -0.80 -0.36 0.00 0.00 175.35 173.88 1yic s ASN 56 N 5.90 5.39 -0.18 1.43 -0.87 -1.23 -4.65 114.94 120.73 1yic s ASN 56 Ca 0.61 1.53 0.01 0.00 -1.57 0.00 0.00 52.86 53.44 1yic s ASN 56 Cb -0.00 -2.51 0.03 0.00 -0.02 0.00 0.00 41.25 38.74 1yic s ASN 56 CO 0.06 -2.07 -0.14 -0.69 -2.57 0.00 0.00 177.10 171.69 1yic s VAL 57 N 8.63 1.75 0.02 1.60 1.01 -1.26 -4.88 120.40 127.26 1yic s VAL 57 Ca 0.93 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1yic s VAL 57 Cb -0.27 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.35 1yic s VAL 57 CO 0.32 0.34 1.51 -0.22 0.00 0.00 0.00 175.10 177.06 1yic s LEU 58 N 1.38 4.33 -0.45 3.92 2.96 -1.26 -0.28 118.68 129.29 1yic s LEU 58 Ca 0.02 2.25 -0.27 0.00 -0.22 0.00 0.00 54.13 55.91 1yic s LEU 58 Cb -0.14 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.01 1yic s LEU 58 CO -0.10 -0.80 0.99 0.26 -1.32 0.00 0.00 176.35 175.38 1yic s TRP 59 N 2.65 2.92 0.00 5.38 0.23 0.05 -4.63 118.94 125.54 1yic s TRP 59 Ca 0.68 0.55 0.00 0.00 -2.03 0.00 0.00 56.10 55.30 1yic s TRP 59 Cb -0.34 -4.04 0.00 0.00 0.03 0.00 0.00 33.47 29.12 1yic s TRP 59 CO 0.29 -1.10 0.08 -0.40 0.96 0.00 0.00 176.95 176.77 1yic n ASP 60 N 7.28 0.15 0.00 2.95 5.68 -1.26 -0.12 116.55 131.23 1yic n ASP 60 Ca 0.08 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1yic n ASP 60 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1yic n ASP 60 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1yic n GLU 61 N -0.00 0.00 0.04 0.11 0.28 -1.26 -4.72 120.64 115.08 1yic n GLU 61 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1yic n GLU 61 Cb 0.21 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.02 1yic n GLU 61 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1yic h ASN 62 N 0.00 -0.08 0.11 -1.84 4.21 -1.96 0.31 115.58 116.32 1yic h ASN 62 Ca 0.00 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1yic h ASN 62 Cb 0.00 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1yic h ASN 62 CO 0.00 -0.04 -0.05 -1.13 -1.29 0.00 0.00 177.43 174.92 1yic h ASN 63 N -0.04 -0.12 -0.16 5.81 -1.24 -1.85 -3.28 115.58 114.69 1yic h ASN 63 Ca 0.02 -0.35 0.04 0.00 0.71 0.00 0.00 56.30 56.72 1yic h ASN 63 Cb 0.06 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1yic h ASN 63 CO -0.04 0.31 0.12 -0.03 -1.29 0.00 0.00 177.43 176.50 1yic h MET 64 N -0.58 0.01 -0.58 6.67 4.05 -1.78 -1.82 114.93 120.90 1yic h MET 64 Ca -0.01 -0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.52 1yic h MET 64 Cb 0.47 -0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.15 1yic h MET 64 CO 0.02 0.01 -0.26 1.03 0.23 0.00 0.00 176.91 177.94 1yic h SER 65 N 0.01 -0.91 -0.15 1.39 0.87 -0.45 0.17 113.55 114.49 1yic h SER 65 Ca 0.08 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1yic h SER 65 Cb 0.29 0.49 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1yic h SER 65 CO -0.00 -0.27 0.06 -0.33 -0.53 0.00 0.00 176.83 175.76 1yic h GLU 66 N -0.11 0.23 -0.02 2.24 4.39 -1.50 0.17 114.58 119.98 1yic h GLU 66 Ca 0.26 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.93 1yic h GLU 66 Cb 0.52 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 1yic h GLU 66 CO -0.65 0.31 -0.36 -0.92 -1.16 0.00 0.00 179.01 176.23 1yic h TYR 67 N 0.09 -1.06 -0.14 4.33 3.20 -1.23 -0.38 116.97 121.78 1yic h TYR 67 Ca 0.05 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1yic h TYR 67 Cb 0.17 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1yic h TYR 67 CO -0.02 -0.38 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.83 1yic h LEU 68 N -0.44 0.24 -1.78 2.82 3.38 -0.64 0.28 115.31 119.18 1yic h LEU 68 Ca 0.01 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.06 1yic h LEU 68 Cb 0.48 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1yic h LEU 68 CO -0.25 0.48 0.44 0.74 0.09 0.00 0.00 178.44 179.94 1yic h THR 69 N 0.23 0.77 -0.65 0.22 2.02 -0.17 0.29 112.91 115.62 1yic h THR 69 Ca 0.04 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1yic h THR 69 Cb 0.54 0.54 -0.16 0.00 -1.74 0.00 0.00 68.15 67.33 1yic h THR 69 CO 0.04 0.04 -0.33 0.21 0.37 0.00 0.00 175.52 175.85 1yic s ASN 70 N -6.10 -0.95 0.00 4.18 3.84 0.14 -4.29 114.94 111.76 1yic s ASN 70 Ca -0.07 -1.08 0.00 0.00 0.21 0.00 0.00 52.86 51.92 1yic s ASN 70 Cb 0.20 1.25 0.00 0.00 -0.55 0.00 0.00 41.25 42.15 1yic s ASN 70 CO 0.75 -0.04 0.37 -0.81 -2.79 0.00 0.00 177.10 174.58 1yic n PRO 71 N 2.90 0.38 0.00 0.43 -0.04 0.77 -1.16 135.00 138.28 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 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.78 0.00 -0.26 0.54 3.00 -1.26 -0.49 118.16 120.48 1yic n LYS 73 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1yic n LYS 73 Cb 0.18 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.28 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 1.18 -3.18 5.64 3.20 -1.47 -3.34 116.97 119.01 1yic h TYR 74 Ca 0.00 -0.12 -0.63 0.00 3.14 0.00 0.00 58.73 61.12 1yic h TYR 74 Cb 0.00 -0.34 -0.41 0.00 1.54 0.00 0.00 36.73 37.52 1yic h TYR 74 CO 0.00 0.93 -0.66 0.42 -1.64 0.00 0.00 178.16 177.22 1yic s ILE 75 N -5.38 2.27 -0.39 1.81 1.01 0.36 -5.08 121.20 115.81 1yic s ILE 75 Ca -0.12 -3.32 -0.28 0.00 0.00 0.00 0.00 60.65 56.93 1yic s ILE 75 Cb 0.15 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1yic s ILE 75 CO 0.84 -0.89 1.87 -2.16 0.00 0.00 0.00 174.94 174.60 1yic s PRO 76 N -0.38 3.12 0.00 2.79 0.04 -1.26 -1.19 135.00 138.13 1yic s PRO 76 Ca 0.19 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1yic s PRO 76 Cb -0.20 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1yic s PRO 76 CO -0.04 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.29 1yic n GLY 77 N 5.52 0.89 3.69 0.56 0.00 -1.26 -4.82 105.19 109.78 1yic n GLY 77 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.66 2.24 1.76 2.61 5.66 -0.33 -4.83 114.28 120.73 1yic n THR 78 Ca 0.00 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.51 1yic n THR 78 Cb 0.00 -1.54 0.03 0.00 -1.55 0.00 0.00 70.33 67.28 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 0.34 1.17 -1.56 1.09 4.01 -1.26 -4.74 118.16 117.21 1yic n LYS 79 Ca 0.06 -0.25 -0.13 0.00 -0.51 0.00 0.00 58.31 57.47 1yic n LYS 79 Cb 0.37 -1.06 -0.09 0.00 -0.51 0.00 0.00 35.03 33.74 1yic n LYS 79 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 1yic n MET 80 N -0.29 0.36 -0.63 1.97 1.56 -1.26 -4.77 117.12 114.06 1yic n MET 80 Ca 0.02 -1.17 -0.04 0.00 -0.27 0.00 0.00 57.70 56.24 1yic n MET 80 Cb 0.06 -3.72 -0.06 0.00 2.15 0.00 0.00 33.22 31.65 1yic n MET 80 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1yic n ALA 81 N 18.91 4.61 -2.71 -5.12 0.00 -1.26 -4.89 120.51 130.05 1yic n ALA 81 Ca 0.44 -0.64 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 1yic n ALA 81 Cb 0.44 -1.55 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 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 0.54 3.63 0.18 0.00 5.36 -1.26 -5.01 117.98 121.43 1yic s PHE 82 Ca 0.23 0.70 -0.26 0.00 -0.96 0.00 0.00 56.93 56.64 1yic s PHE 82 Cb 0.11 -2.07 0.04 0.00 -0.34 0.00 0.00 43.02 40.75 1yic s PHE 82 CO 0.00 0.66 1.55 0.78 -1.46 0.00 0.00 175.22 176.75 1yic h GLY 83 N 4.50 -0.52 -0.01 13.12 0.00 -1.97 -3.46 103.07 114.73 1yic h GLY 83 Ca -0.52 0.68 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1yic h GLY 83 CO 0.62 -0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.70 1yic n GLY 84 N -1.35 0.88 0.00 4.60 0.00 -1.26 -4.92 105.19 103.14 1yic n GLY 84 Ca 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.08 0.89 -3.35 0.99 4.77 0.10 -4.92 117.00 115.40 1yic n LEU 85 Ca 0.00 0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 56.16 1yic n LEU 85 Cb 0.00 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1yic n LEU 85 CO 0.00 -0.33 -0.07 1.17 -1.33 0.00 0.00 177.39 176.83 1yic n LYS 86 N -1.50 -1.81 -3.89 3.23 4.81 -1.26 -4.86 118.16 112.88 1yic n LYS 86 Ca 0.00 1.41 -0.10 0.00 -0.87 0.00 0.00 58.31 58.75 1yic n LYS 86 Cb 0.00 -3.66 0.00 0.00 0.02 0.00 0.00 35.03 31.40 1yic n LYS 86 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1yic s LYS 87 N -3.29 2.09 -0.21 1.64 2.47 -1.26 -4.97 119.74 116.22 1yic s LYS 87 Ca 0.17 -1.48 -0.16 0.00 -1.56 0.00 0.00 55.97 52.95 1yic s LYS 87 Cb -0.03 0.57 -0.10 0.00 -1.46 0.00 0.00 37.83 36.81 1yic s LYS 87 CO 0.83 -0.95 -0.17 -1.91 0.16 0.00 0.00 175.35 173.31 1yic n GLU 88 N -0.53 0.54 -0.04 4.03 2.13 -1.26 -4.31 120.64 121.20 1yic n GLU 88 Ca -0.05 0.39 -0.03 0.00 0.66 0.00 0.00 57.16 58.13 1yic n GLU 88 Cb 0.60 -1.59 -0.01 0.00 0.27 0.00 0.00 31.44 30.72 1yic n GLU 88 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yic n LYS 89 N -4.43 0.23 -0.30 5.31 4.81 -1.26 -4.07 118.16 118.45 1yic n LYS 89 Ca -0.29 0.35 -0.05 0.00 -0.87 0.00 0.00 58.31 57.45 1yic n LYS 89 Cb 0.61 -1.19 -0.03 0.00 0.02 0.00 0.00 35.03 34.44 1yic n LYS 89 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1yic n ASP 90 N -3.44 -0.66 0.17 3.14 9.92 -1.26 0.14 116.55 124.56 1yic n ASP 90 Ca -0.04 1.31 -0.14 0.00 -0.53 0.00 0.00 54.79 55.39 1yic n ASP 90 Cb 0.15 -0.22 -0.08 0.00 -0.64 0.00 0.00 41.12 40.33 1yic n ASP 90 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1yic h ARG 91 N 0.00 -0.36 0.42 -1.24 2.43 -1.82 -0.69 114.38 113.12 1yic h ARG 91 Ca 0.18 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1yic h ARG 91 Cb 0.36 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1yic h ARG 91 CO -0.71 -0.22 -0.42 -0.91 -1.51 0.00 0.00 179.97 176.19 1yic h ASN 92 N -0.39 -1.15 -0.80 -3.80 2.35 -1.04 -1.03 115.58 109.71 1yic h ASN 92 Ca -0.04 0.09 0.10 0.00 -0.55 0.00 0.00 56.30 55.90 1yic h ASN 92 Cb 0.30 0.38 -0.11 0.00 0.05 0.00 0.00 38.32 38.93 1yic h ASN 92 CO 0.06 -0.56 -0.40 0.47 -1.65 0.00 0.00 177.43 175.36 1yic n ASP 93 N -4.96 -0.69 0.24 5.81 9.92 0.12 0.03 116.55 127.02 1yic n ASP 93 Ca -0.10 1.42 -0.16 0.00 -0.53 0.00 0.00 54.79 55.42 1yic n ASP 93 Cb 0.38 -0.25 -0.08 0.00 -0.64 0.00 0.00 41.12 40.54 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 -0.77 0.06 0.64 5.85 -0.90 -0.90 115.31 119.29 1yic h LEU 94 Ca 0.20 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.00 1yic h LEU 94 Cb 0.40 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1yic h LEU 94 CO -0.78 -0.45 -0.29 0.40 -0.34 0.00 0.00 178.44 176.98 1yic h ILE 95 N -0.69 0.36 -0.45 4.05 2.04 0.41 -0.14 117.51 123.08 1yic h ILE 95 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.91 1yic h ILE 95 Cb 0.59 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1yic h ILE 95 CO 0.00 0.00 0.03 0.71 0.00 0.00 0.00 178.15 178.89 1yic h THR 96 N -0.48 0.68 0.25 -0.27 1.35 -0.35 0.25 112.91 114.34 1yic h THR 96 Ca 0.05 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1yic h THR 96 Cb 0.53 0.52 -0.04 0.00 -1.73 0.00 0.00 68.15 67.44 1yic h THR 96 CO -0.21 0.03 -0.51 0.22 -0.25 0.00 0.00 175.52 174.80 1yic h TYR 97 N 0.14 -1.44 -0.85 4.73 3.20 -0.83 -1.63 116.97 120.30 1yic h TYR 97 Ca 0.23 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.22 1yic h TYR 97 Cb 0.32 0.59 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 1yic h TYR 97 CO -0.27 -0.61 0.55 -0.07 -1.64 0.00 0.00 178.16 176.12 1yic h LEU 98 N -0.83 0.75 -0.67 2.82 3.38 -0.27 0.19 115.31 120.68 1yic h LEU 98 Ca -0.02 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1yic h LEU 98 Cb 0.79 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 1yic h LEU 98 CO -0.20 0.45 0.28 0.50 0.09 0.00 0.00 178.44 179.55 1yic h LYS 99 N 0.83 0.46 -0.17 1.13 1.63 -0.02 0.20 116.57 120.62 1yic h LYS 99 Ca 0.39 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 60.08 1yic h LYS 99 Cb 0.40 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1yic h LYS 99 CO -0.16 0.30 -0.21 -0.22 -3.45 0.00 0.00 179.45 175.71 1yic h LYS 100 N 0.47 0.44 -0.73 1.90 3.64 0.22 -0.47 116.57 122.04 1yic h LYS 100 Ca 0.34 -0.25 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1yic h LYS 100 Cb 0.44 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 1yic h LYS 100 CO -0.32 0.83 0.38 0.00 -2.27 0.00 0.00 179.45 178.07 1yic h ALA 101 N 0.61 1.02 -0.57 5.00 0.00 -0.37 -3.40 119.26 121.53 1yic h ALA 101 Ca 0.02 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1yic h ALA 101 Cb 0.77 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.30 1yic h ALA 101 CO 0.05 -0.01 -0.25 0.45 0.00 0.00 0.00 179.25 179.49 1yic s SER 102 N -5.53 -0.89 0.00 0.00 0.15 0.63 -4.99 113.70 103.07 1yic s SER 102 Ca -0.13 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.18 1yic s SER 102 Cb 0.18 1.21 0.04 0.00 -1.71 0.00 0.00 66.02 65.73 1yic s SER 102 CO 0.77 -0.11 0.53 -1.84 1.20 0.00 0.00 173.24 173.79