#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ry3 s ASN -17 N 0.00 6.27 -0.14 7.83 0.01 -1.26 -5.01 114.94 122.64 1ry3 s ASN -17 Ca 0.00 -1.25 -0.29 0.00 -0.71 0.00 0.00 52.86 50.61 1ry3 s ASN -17 Cb 0.00 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 1ry3 s ASN -17 CO 0.00 -1.34 1.04 -0.44 -1.51 0.00 0.00 177.10 174.85 1ry3 s SER -16 N 3.69 7.17 0.03 -1.22 0.01 -1.26 -4.91 113.70 117.22 1ry3 s SER -16 Ca 0.24 1.52 0.21 0.00 1.31 0.00 0.00 55.95 59.23 1ry3 s SER -16 Cb -0.15 -2.55 -0.20 0.00 0.21 0.00 0.00 66.02 63.33 1ry3 s SER -16 CO 0.05 -0.54 0.64 0.52 0.41 0.00 0.00 173.24 174.33 1ry3 n VAL -15 N 4.81 0.53 0.06 3.43 0.31 -1.26 -2.42 118.33 123.79 1ry3 n VAL -15 Ca 0.10 -0.59 -0.16 0.00 -0.01 0.00 0.00 64.34 63.69 1ry3 n VAL -15 Cb 0.48 -0.27 -0.14 0.00 -0.91 0.00 0.00 33.84 33.00 1ry3 n VAL -15 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ry3 h LYS -14 N 0.00 0.22 0.12 5.55 3.64 -1.98 -1.95 116.57 122.16 1ry3 h LYS -14 Ca -0.09 -0.37 -0.27 0.00 -1.27 0.00 0.00 60.65 58.64 1ry3 h LYS -14 Cb 1.25 0.14 0.01 0.00 -0.41 0.00 0.00 32.23 33.21 1ry3 h LYS -14 CO 0.01 1.08 -1.21 0.93 -2.27 0.00 0.00 179.45 177.99 1ry3 h GLU -13 N 0.06 0.31 0.00 1.90 5.08 -1.98 -2.99 114.58 116.95 1ry3 h GLU -13 Ca -0.22 -0.49 -0.07 0.00 -1.00 0.00 0.00 59.36 57.58 1ry3 h GLU -13 Cb 2.00 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.41 1ry3 h GLU -13 CO 0.16 1.21 -0.34 1.25 -1.00 0.00 0.00 179.01 180.29 1ry3 h LEU -12 N 0.10 0.00 -0.18 1.33 5.85 -1.58 -2.81 115.31 118.02 1ry3 h LEU -12 Ca -0.13 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.36 1ry3 h LEU -12 Cb 1.92 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.96 1ry3 h LEU -12 CO 0.20 0.34 -0.88 0.78 -0.34 0.00 0.00 178.44 178.54 1ry3 h ASN -11 N 0.00 0.70 1.09 1.25 -0.26 -1.36 -3.17 115.58 113.83 1ry3 h ASN -11 Ca -0.00 -0.51 -0.08 0.00 -0.56 0.00 0.00 56.30 55.15 1ry3 h ASN -11 Cb 1.04 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.07 1ry3 h ASN -11 CO 0.04 1.30 -0.36 0.58 -1.06 0.00 0.00 177.43 177.94 1ry3 h VAL -10 N 0.35 0.75 -0.66 2.81 2.07 -1.50 -3.16 116.25 116.92 1ry3 h VAL -10 Ca -0.07 -1.59 0.19 0.00 0.82 0.00 0.00 66.70 66.04 1ry3 h VAL -10 Cb 1.51 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 1ry3 h VAL -10 CO 0.16 0.35 0.51 0.50 0.02 0.00 0.00 177.57 179.12 1ry3 h LYS -9 N 0.00 0.00 -0.94 1.57 1.63 -1.47 0.68 116.57 118.05 1ry3 h LYS -9 Ca -0.00 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1ry3 h LYS -9 Cb 1.00 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.58 1ry3 h LYS -9 CO 0.05 0.00 0.61 1.49 -3.45 0.00 0.00 179.45 178.14 1ry3 h GLU -8 N 0.00 1.24 0.11 1.90 4.81 -1.71 -1.93 114.58 119.01 1ry3 h GLU -8 Ca 0.31 -0.09 -0.29 0.00 -0.13 0.00 0.00 59.36 59.16 1ry3 h GLU -8 Cb 1.33 -0.28 0.03 0.00 0.63 0.00 0.00 28.75 30.46 1ry3 h GLU -8 CO -0.00 0.84 -1.22 0.52 -0.73 0.00 0.00 179.01 178.41 1ry3 h MET -7 N 1.28 0.59 -0.06 1.92 2.86 -1.11 -3.05 114.93 117.35 1ry3 h MET -7 Ca 0.34 -0.78 0.04 0.00 -2.06 0.00 0.00 59.70 57.23 1ry3 h MET -7 Cb -0.12 0.26 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1ry3 h MET -7 CO -0.07 1.35 -0.22 -0.22 1.06 0.00 0.00 176.91 178.81 1ry3 h LYS -6 N 0.27 -0.31 -0.66 1.72 1.63 -1.06 0.29 116.57 118.45 1ry3 h LYS -6 Ca -0.18 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1ry3 h LYS -6 Cb 1.90 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.59 1ry3 h LYS -6 CO 0.23 -0.20 0.00 1.04 -3.45 0.00 0.00 179.45 177.07 1ry3 n GLN -5 N -5.35 1.82 -0.01 1.90 3.00 -0.75 -4.04 117.38 113.95 1ry3 n GLN -5 Ca -0.04 -0.77 -0.01 0.00 -0.01 0.00 0.00 57.00 56.17 1ry3 n GLN -5 Cb 0.26 -1.51 -0.00 0.00 0.00 0.00 0.00 30.24 28.99 1ry3 n GLN -5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1ry3 n LEU -4 N 0.13 0.34 -2.59 1.08 7.94 0.07 -4.93 117.00 119.05 1ry3 n LEU -4 Ca 0.07 0.31 -0.08 0.00 -1.11 0.00 0.00 56.01 55.20 1ry3 n LEU -4 Cb 0.38 -0.57 -0.00 0.00 0.53 0.00 0.00 43.42 43.76 1ry3 n LEU -4 CO 0.07 -0.49 -0.08 1.57 -1.11 0.00 0.00 177.39 177.35 1ry3 n HIS -3 N -2.71 -1.70 -2.18 1.96 -0.00 -1.11 -4.51 115.22 104.98 1ry3 n HIS -3 Ca -0.01 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1ry3 n HIS -3 Cb 0.05 -1.97 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 1ry3 n HIS -3 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ry3 n GLY -2 N -0.70 -2.22 3.46 1.57 0.00 -1.26 -5.01 105.19 101.03 1ry3 n GLY -2 Ca -0.07 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.45 1ry3 n GLY -2 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ry3 s GLY -1 N -1.33 -0.25 0.54 -0.02 0.00 -1.26 -5.16 107.32 99.84 1ry3 s GLY -1 Ca 0.00 2.96 -0.10 0.00 0.00 0.00 0.00 44.72 47.58 1ry3 s GLY -1 CO 0.00 3.14 0.92 0.14 0.00 0.00 0.00 173.10 177.30 1ry3 s VAL 1 N 2.38 4.75 -0.37 1.40 1.01 -1.26 -5.03 120.40 123.29 1ry3 s VAL 1 Ca -0.04 0.70 0.13 0.00 0.00 0.00 0.00 61.98 62.77 1ry3 s VAL 1 Cb -0.07 -3.83 0.44 0.00 0.00 0.00 0.00 36.38 32.92 1ry3 s VAL 1 CO -0.17 -0.92 1.01 0.59 0.00 0.00 0.00 175.10 175.60 1ry3 n ASN 2 N -2.27 2.77 -2.77 3.32 3.02 -1.26 -5.00 115.26 113.07 1ry3 n ASN 2 Ca 0.04 -3.13 -0.07 0.00 -0.03 0.00 0.00 54.58 51.39 1ry3 n ASN 2 Cb 0.54 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 39.22 1ry3 n ASN 2 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ry3 n TYR 3 N -0.22 -3.28 0.00 3.10 4.01 -1.26 -5.00 117.16 114.51 1ry3 n TYR 3 Ca 0.22 1.32 0.00 0.00 -0.16 0.00 0.00 57.90 59.28 1ry3 n TYR 3 Cb 0.75 -3.94 0.00 0.00 -0.31 0.00 0.00 39.34 35.83 1ry3 n TYR 3 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ry3 n GLY 4 N -0.34 0.00 0.30 2.72 0.00 -1.26 -4.99 105.19 101.61 1ry3 n GLY 4 Ca 0.11 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.32 1ry3 n GLY 4 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ry3 h ASN 5 N 0.00 0.00 0.00 1.61 4.21 -2.02 -3.40 115.58 115.98 1ry3 h ASN 5 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ry3 h ASN 5 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1ry3 h ASN 5 CO 0.00 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 176.77 1ry3 n GLY 6 N -0.42 -1.86 3.75 2.83 0.00 -1.26 -5.17 105.19 103.07 1ry3 n GLY 6 Ca -0.01 0.82 -0.31 0.00 0.00 0.00 0.00 46.02 46.52 1ry3 n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ry3 s VAL 7 N 0.00 3.05 -0.19 1.61 1.01 -1.26 -5.03 120.40 119.59 1ry3 s VAL 7 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 1ry3 s VAL 7 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1ry3 s VAL 7 CO 0.00 -0.45 0.06 -0.94 0.00 0.00 0.00 175.10 173.77 1ry3 s SER 8 N -3.39 5.54 -0.27 3.32 1.04 -1.26 -5.06 113.70 113.62 1ry3 s SER 8 Ca 0.62 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 57.05 1ry3 s SER 8 Cb -0.18 -1.95 0.02 0.00 0.10 0.00 0.00 66.02 64.01 1ry3 s SER 8 CO 0.56 0.16 0.02 0.00 0.98 0.00 0.00 173.24 174.96 1ry3 s SER 10 N 1.42 -0.77 0.00 0.00 1.04 -1.25 -4.92 113.70 109.23 1ry3 s SER 10 Ca 0.02 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1ry3 s SER 10 Cb -0.17 1.70 0.00 0.00 0.10 0.00 0.00 66.02 67.65 1ry3 s SER 10 CO -0.01 -0.14 0.00 1.17 0.98 0.00 0.00 173.24 175.24 1ry3 n LYS 11 N 5.35 -1.05 -1.24 4.02 4.81 -1.26 -4.60 118.16 124.19 1ry3 n LYS 11 Ca -0.06 0.26 -0.02 0.00 -0.87 0.00 0.00 58.31 57.62 1ry3 n LYS 11 Cb 0.52 -4.69 -0.03 0.00 0.02 0.00 0.00 35.03 30.85 1ry3 n LYS 11 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1ry3 n THR 12 N -2.02 0.01 -2.54 3.15 5.66 -1.26 -5.15 114.28 112.13 1ry3 n THR 12 Ca 0.00 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 1ry3 n THR 12 Cb 0.26 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 69.77 1ry3 n THR 12 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ry3 n LYS 13 N 0.19 0.00 0.00 1.09 3.00 -1.26 -4.88 118.16 116.30 1ry3 n LYS 13 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1ry3 n LYS 13 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.92 1ry3 n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ry3 s SER 15 N -0.14 3.89 0.23 0.00 0.15 -1.26 -5.03 113.70 111.55 1ry3 s SER 15 Ca 0.00 -1.93 0.05 0.00 0.70 0.00 0.00 55.95 54.77 1ry3 s SER 15 Cb 0.00 -0.90 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 1ry3 s SER 15 CO 0.00 -0.37 0.33 -0.69 1.20 0.00 0.00 173.24 173.71 1ry3 s VAL 16 N 1.25 5.16 -0.51 4.45 1.01 -1.26 -5.07 120.40 125.42 1ry3 s VAL 16 Ca 0.12 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1ry3 s VAL 16 Cb -0.19 -3.79 0.22 0.00 0.00 0.00 0.00 36.38 32.62 1ry3 s VAL 16 CO -0.17 -0.30 0.54 0.59 0.00 0.00 0.00 175.10 175.76 1ry3 n ASN 17 N -1.27 1.48 0.00 3.32 4.13 -1.26 -4.91 115.26 116.75 1ry3 n ASN 17 Ca -0.09 -2.92 0.08 0.00 1.68 0.00 0.00 54.58 53.34 1ry3 n ASN 17 Cb 0.57 -0.65 0.38 0.00 -1.54 0.00 0.00 39.78 38.54 1ry3 n ASN 17 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1ry3 n TRP 18 N 1.64 0.00 -0.04 3.10 7.02 -1.26 -2.62 117.44 125.28 1ry3 n TRP 18 Ca 0.25 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.67 1ry3 n TRP 18 Cb 0.46 -0.44 -0.02 0.00 -2.42 0.00 0.00 31.31 28.89 1ry3 n TRP 18 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ry3 n GLY 19 N 0.20 -0.32 0.27 6.99 0.00 -1.26 -4.18 105.19 106.88 1ry3 n GLY 19 Ca 0.05 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1ry3 n GLY 19 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ry3 h GLN 20 N -0.58 -0.52 0.00 1.61 -0.00 -1.97 -0.53 115.11 113.12 1ry3 h GLN 20 Ca -0.04 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ry3 h GLN 20 Cb 0.65 0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.25 1ry3 h GLN 20 CO -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 178.83 178.46 1ry3 n ALA 21 N -2.54 1.64 -0.08 3.38 0.00 -1.08 -0.86 120.51 120.97 1ry3 n ALA 21 Ca -0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1ry3 n ALA 21 Cb 0.25 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1ry3 n ALA 21 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ry3 h PHE 22 N 0.00 1.02 0.00 0.00 3.57 -1.20 -1.89 116.94 118.44 1ry3 h PHE 22 Ca 0.00 -0.35 -0.06 0.00 3.53 0.00 0.00 57.97 61.09 1ry3 h PHE 22 Cb 0.04 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1ry3 h PHE 22 CO 0.00 1.16 -0.26 1.96 -2.23 0.00 0.00 178.31 178.94 1ry3 h GLN 23 N 0.59 0.00 -0.18 1.11 7.50 -0.67 -3.20 115.11 120.26 1ry3 h GLN 23 Ca 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.15 1ry3 h GLN 23 Cb 1.07 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.59 1ry3 h GLN 23 CO 0.11 0.26 0.01 0.93 -1.50 0.00 0.00 178.83 178.65 1ry3 h GLU 24 N 0.00 0.31 -0.10 1.46 4.39 -1.20 -2.76 114.58 116.68 1ry3 h GLU 24 Ca -0.00 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.63 1ry3 h GLU 24 Cb 0.95 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1ry3 h GLU 24 CO 0.03 0.50 0.08 0.00 -1.16 0.00 0.00 179.01 178.47 1ry3 h ARG 25 N 0.09 0.00 -0.66 2.33 2.47 -1.35 -1.16 114.38 116.09 1ry3 h ARG 25 Ca 0.05 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 1ry3 h ARG 25 Cb 0.35 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 1ry3 h ARG 25 CO 0.01 0.00 0.20 -0.92 0.56 0.00 0.00 179.97 179.82 1ry3 h TYR 26 N 0.00 1.07 -0.20 3.04 3.20 -1.55 -2.09 116.97 120.45 1ry3 h TYR 26 Ca 0.05 -0.11 -0.16 0.00 3.14 0.00 0.00 58.73 61.65 1ry3 h TYR 26 Cb 0.22 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1ry3 h TYR 26 CO 0.00 0.87 -0.52 1.15 -1.64 0.00 0.00 178.16 178.02 1ry3 h THR 27 N 0.97 1.32 -0.90 1.81 2.02 -1.18 -2.95 112.91 113.99 1ry3 h THR 27 Ca 0.21 -1.76 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 1ry3 h THR 27 Cb 0.31 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 1ry3 h THR 27 CO -0.01 0.55 0.50 0.00 0.37 0.00 0.00 175.52 176.93 1ry3 h ALA 28 N 0.98 1.18 -0.02 6.16 0.00 -1.12 -1.01 119.26 125.43 1ry3 h ALA 28 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ry3 h ALA 28 Cb 1.06 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ry3 h ALA 28 CO 0.10 0.66 0.00 0.78 0.00 0.00 0.00 179.25 180.79 1ry3 h GLY 29 N 1.26 0.03 2.00 0.00 0.00 -1.31 -2.92 103.07 102.13 1ry3 h GLY 29 Ca 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 1ry3 h GLY 29 CO -0.05 0.02 -0.12 -2.22 0.00 0.00 0.00 176.54 174.16 1ry3 h ILE 30 N -0.24 1.06 0.18 2.60 2.04 -1.37 -2.71 117.51 119.07 1ry3 h ILE 30 Ca 0.01 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1ry3 h ILE 30 Cb 0.28 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1ry3 h ILE 30 CO 0.00 0.12 -0.24 0.78 0.00 0.00 0.00 178.15 178.81 1ry3 h ASN 31 N 0.00 -0.68 -0.36 1.72 2.35 -0.98 0.54 115.58 118.16 1ry3 h ASN 31 Ca -0.00 0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1ry3 h ASN 31 Cb 0.22 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1ry3 h ASN 31 CO 0.02 -0.30 0.25 0.28 -1.65 0.00 0.00 177.43 176.03 1ry3 h SER 32 N -0.44 0.15 -0.12 5.81 0.02 -1.53 -1.69 113.55 115.75 1ry3 h SER 32 Ca -0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1ry3 h SER 32 Cb 0.39 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1ry3 h SER 32 CO -0.06 0.10 0.02 0.15 -1.14 0.00 0.00 176.83 175.89 1ry3 h PHE 33 N 0.17 0.22 0.01 3.45 3.57 -1.04 -2.03 116.94 121.29 1ry3 h PHE 33 Ca 0.17 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ry3 h PHE 33 Cb 0.44 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1ry3 h PHE 33 CO -0.00 0.40 -0.01 0.28 -2.23 0.00 0.00 178.31 176.76 1ry3 h VAL 34 N -0.03 0.00 -0.64 1.41 2.07 0.10 -2.87 116.25 116.29 1ry3 h VAL 34 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 1ry3 h VAL 34 Cb 0.31 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.96 1ry3 h VAL 34 CO 0.00 0.00 -0.05 -1.28 0.02 0.00 0.00 177.57 176.26 1ry3 h SER 35 N -0.01 -0.39 -0.97 0.57 0.87 -1.61 3.43 113.55 115.44 1ry3 h SER 35 Ca -0.00 0.17 0.27 0.00 -1.23 0.00 0.00 61.79 61.00 1ry3 h SER 35 Cb 0.01 0.32 -0.18 0.00 -0.44 0.00 0.00 62.40 62.11 1ry3 h SER 35 CO -0.00 -0.16 0.04 0.61 -0.53 0.00 0.00 176.83 176.79 1ry3 n GLY 36 N -1.39 -1.30 0.02 5.77 0.00 -0.76 0.25 105.19 107.77 1ry3 n GLY 36 Ca 0.09 0.95 -0.01 0.00 0.00 0.00 0.00 46.02 47.05 1ry3 n GLY 36 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ry3 n VAL 37 N -5.44 0.35 0.00 1.61 0.31 0.13 -4.65 118.33 110.64 1ry3 n VAL 37 Ca 0.24 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 1ry3 n VAL 37 Cb 0.77 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1ry3 n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ry3 n ALA 38 N -2.66 0.00 0.26 3.52 0.00 1.10 -4.39 120.51 118.33 1ry3 n ALA 38 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1ry3 n ALA 38 Cb 0.08 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.59 1ry3 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ry3 n SER 39 N -1.38 0.00 -0.00 0.00 2.88 -1.12 -3.40 113.62 110.59 1ry3 n SER 39 Ca 0.00 -0.20 -0.01 0.00 -1.33 0.00 0.00 58.87 57.33 1ry3 n SER 39 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1ry3 n SER 39 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ry3 h GLY 40 N 0.72 -0.08 -4.50 0.46 0.00 0.30 -3.42 103.07 96.54 1ry3 h GLY 40 Ca 0.00 0.03 -0.38 0.00 0.00 0.00 0.00 47.33 46.98 1ry3 h GLY 40 CO 0.00 -0.03 -0.56 0.00 0.00 0.00 0.00 176.54 175.95 1ry3 n ALA 41 N -2.58 -0.94 -0.01 3.60 0.00 -1.22 -4.84 120.51 114.52 1ry3 n ALA 41 Ca -0.01 0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.65 1ry3 n ALA 41 Cb 0.03 -3.18 -0.04 0.00 0.00 0.00 0.00 19.45 16.26 1ry3 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ry3 n GLY 42 N -1.31 -0.24 2.17 0.00 0.00 -1.26 -4.75 105.19 99.80 1ry3 n GLY 42 Ca -0.11 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.81 1ry3 n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ry3 n SER 43 N -1.82 1.39 -2.45 1.61 7.64 -1.26 -4.81 113.62 113.92 1ry3 n SER 43 Ca -0.03 -2.09 -0.23 0.00 1.01 0.00 0.00 58.87 57.54 1ry3 n SER 43 Cb 0.28 -0.40 -0.10 0.00 -1.01 0.00 0.00 64.21 62.98 1ry3 n SER 43 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1ry3 n ILE 44 N -0.11 3.47 0.00 0.44 -5.35 -1.26 -4.21 119.36 112.33 1ry3 n ILE 44 Ca 0.08 -2.38 0.00 0.00 -0.27 0.00 0.00 62.75 60.17 1ry3 n ILE 44 Cb 0.96 -1.94 0.00 0.00 -1.74 0.00 0.00 39.64 36.92 1ry3 n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ry3 n GLY 45 N 2.01 1.87 3.99 3.28 0.00 -1.26 -5.13 105.19 109.95 1ry3 n GLY 45 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1ry3 n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19