#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spr n GLU 3 N 0.00 0.00 -0.01 0.00 -0.58 -1.26 -4.44 120.64 114.35 1spr n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1spr n GLU 3 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 1spr n GLU 3 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1spr n GLU 4 N 13.99 -0.00 0.00 3.49 2.13 -1.26 -0.10 120.64 138.89 1spr n GLU 4 Ca 0.00 0.02 0.13 0.00 0.66 0.00 0.00 57.16 57.97 1spr n GLU 4 Cb 0.00 -0.04 0.37 0.00 0.27 0.00 0.00 31.44 32.04 1spr n GLU 4 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 1spr n TRP 5 N -3.48 0.00 -2.93 4.31 4.27 -1.26 -4.78 117.44 113.56 1spr n TRP 5 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 1spr n TRP 5 Cb 0.01 -0.25 -0.05 0.00 -1.36 0.00 0.00 31.31 29.66 1spr n TRP 5 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1spr s TYR 6 N -2.85 2.87 -1.57 -2.67 5.04 0.86 -0.44 117.35 118.59 1spr s TYR 6 Ca 0.16 -0.15 0.14 0.00 -2.44 0.00 0.00 57.07 54.78 1spr s TYR 6 Cb 0.18 -3.91 0.48 0.00 0.35 0.00 0.00 41.96 39.06 1spr s TYR 6 CO 0.62 -1.25 1.36 1.19 -1.34 0.00 0.00 175.55 176.13 1spr n PHE 7 N 7.07 0.89 -2.50 4.97 3.01 0.11 -4.94 117.46 126.07 1spr n PHE 7 Ca -0.00 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.08 1spr n PHE 7 Cb 0.47 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1spr n PHE 7 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1spr n GLY 8 N 1.05 2.96 3.27 1.37 0.00 -1.24 -4.12 105.19 108.47 1spr n GLY 8 Ca 0.17 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1spr n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1spr s LYS 9 N 0.00 3.06 0.32 1.61 2.20 -1.26 -1.35 119.74 124.32 1spr s LYS 9 Ca 0.00 -2.13 0.09 0.00 -0.36 0.00 0.00 55.97 53.57 1spr s LYS 9 Cb 0.00 -4.19 -0.05 0.00 -1.51 0.00 0.00 37.83 32.08 1spr s LYS 9 CO 0.00 -1.26 0.07 0.96 -0.36 0.00 0.00 175.35 174.76 1spr s ILE 10 N 0.76 3.05 0.94 5.43 -4.36 -1.26 -5.01 121.20 120.75 1spr s ILE 10 Ca 0.11 -1.82 -0.15 0.00 -0.26 0.00 0.00 60.65 58.53 1spr s ILE 10 Cb -0.20 -2.90 0.17 0.00 1.25 0.00 0.00 42.46 40.78 1spr s ILE 10 CO -0.03 -0.24 1.25 0.42 0.24 0.00 0.00 174.94 176.57 1spr s THR 11 N -2.42 1.96 -0.01 8.37 -4.23 -1.26 -4.84 115.64 113.21 1spr s THR 11 Ca 0.35 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.62 1spr s THR 11 Cb -0.03 -2.92 -0.19 0.00 1.34 0.00 0.00 72.50 70.70 1spr s THR 11 CO 0.21 0.00 1.26 -0.09 -0.54 0.00 0.00 174.62 175.46 1spr h ARG 12 N -1.58 0.14 -0.96 3.99 2.43 -1.99 -2.46 114.38 113.94 1spr h ARG 12 Ca -0.45 -0.08 0.22 0.00 -0.81 0.00 0.00 59.98 58.86 1spr h ARG 12 Cb 1.27 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.75 1spr h ARG 12 CO 0.47 0.62 0.62 -0.09 -1.51 0.00 0.00 179.97 180.09 1spr h ARG 13 N -0.34 0.45 0.02 0.20 2.43 -1.99 -2.15 114.38 113.00 1spr h ARG 13 Ca 0.01 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1spr h ARG 13 Cb 0.61 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1spr h ARG 13 CO 0.02 0.30 -0.50 1.49 -1.51 0.00 0.00 179.97 179.77 1spr h GLU 14 N 0.46 0.29 -0.46 0.20 4.57 -1.90 -2.70 114.58 115.04 1spr h GLU 14 Ca 0.52 -0.35 0.09 0.00 -1.18 0.00 0.00 59.36 58.44 1spr h GLU 14 Cb 1.22 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.84 1spr h GLU 14 CO -0.24 1.07 -0.06 0.66 -1.18 0.00 0.00 179.01 179.26 1spr h SER 15 N -0.33 -0.31 -0.21 1.04 4.64 -1.19 0.92 113.55 118.11 1spr h SER 15 Ca -0.07 0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1spr h SER 15 Cb 1.26 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.57 1spr h SER 15 CO 0.10 -0.11 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.56 1spr h GLU 16 N 0.05 0.56 -0.43 4.77 5.08 -1.48 0.42 114.58 123.55 1spr h GLU 16 Ca 0.23 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1spr h GLU 16 Cb 0.34 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1spr h GLU 16 CO -0.43 0.63 -0.19 -0.09 -1.00 0.00 0.00 179.01 177.93 1spr h ARG 17 N 0.52 0.85 -0.17 2.33 2.43 -0.92 -0.09 114.38 119.33 1spr h ARG 17 Ca 0.10 -0.33 -0.16 0.00 -0.81 0.00 0.00 59.98 58.78 1spr h ARG 17 Cb 0.43 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1spr h ARG 17 CO 0.02 0.97 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.82 1spr h LEU 18 N 0.74 0.59 0.00 3.80 3.38 -0.47 -3.18 115.31 120.17 1spr h LEU 18 Ca 0.11 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1spr h LEU 18 Cb 0.72 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1spr h LEU 18 CO 0.06 1.03 -0.55 -0.07 0.09 0.00 0.00 178.44 178.99 1spr h LEU 19 N 0.40 0.00 -0.94 1.67 4.07 -0.55 -3.19 115.31 116.77 1spr h LEU 19 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1spr h LEU 19 Cb 1.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1spr h LEU 19 CO 0.10 0.08 0.00 0.18 -1.08 0.00 0.00 178.44 177.73 1spr n LEU 20 N -2.93 1.36 -4.69 1.67 4.32 -0.08 -4.82 117.00 111.83 1spr n LEU 20 Ca 0.01 -0.68 -0.42 0.00 -0.02 0.00 0.00 56.01 54.90 1spr n LEU 20 Cb 0.58 -0.19 -0.03 0.00 -1.62 0.00 0.00 43.42 42.16 1spr n LEU 20 CO 0.38 0.32 1.46 -3.20 -1.22 0.00 0.00 177.39 175.13 1spr n ASN 21 N 0.19 4.03 0.18 -1.43 5.15 -1.21 -4.89 115.26 117.29 1spr n ASN 21 Ca 0.08 1.00 0.17 0.00 -0.60 0.00 0.00 54.58 55.22 1spr n ASN 21 Cb 0.23 -1.55 0.79 0.00 -0.53 0.00 0.00 39.78 38.72 1spr n ASN 21 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1spr h PRO 22 N 8.30 0.00 -0.22 1.20 0.13 -1.94 -1.97 132.00 137.50 1spr h PRO 22 Ca -0.46 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.74 1spr h PRO 22 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1spr h PRO 22 CO 0.95 0.00 0.28 0.93 -0.23 0.00 0.00 178.00 179.92 1spr h GLU 23 N 0.00 0.00 -6.32 0.86 3.07 -1.97 -3.43 114.58 106.79 1spr h GLU 23 Ca 0.10 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.41 1spr h GLU 23 Cb 0.51 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 1spr h GLU 23 CO -0.00 0.00 0.72 -0.80 -1.40 0.00 0.00 179.01 177.53 1spr s ASN 24 N -5.48 7.02 0.66 1.42 0.01 -0.74 -5.05 114.94 112.77 1spr s ASN 24 Ca -0.04 1.86 -0.11 0.00 -0.71 0.00 0.00 52.86 53.85 1spr s ASN 24 Cb 0.15 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 1spr s ASN 24 CO 0.52 -0.60 1.05 -2.16 -1.51 0.00 0.00 177.10 174.39 1spr s PRO 25 N 2.23 3.22 0.50 -0.60 0.04 -1.26 -5.00 135.00 134.13 1spr s PRO 25 Ca 0.57 0.90 -0.22 0.00 0.04 0.00 0.00 61.00 62.29 1spr s PRO 25 Cb -0.26 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 1spr s PRO 25 CO 0.23 -0.88 1.04 -2.13 0.04 0.00 0.00 177.00 175.30 1spr n ARG 26 N -2.90 1.26 -1.00 4.56 0.63 -1.26 -2.14 116.66 115.81 1spr n ARG 26 Ca 0.07 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1spr n ARG 26 Cb 0.54 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 31.28 1spr n ARG 26 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1spr n GLY 27 N 1.16 0.63 3.77 5.14 0.00 0.18 -4.57 105.19 111.49 1spr n GLY 27 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1spr n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1spr s THR 28 N -2.53 2.75 0.21 2.61 2.01 -0.91 -0.74 115.64 119.04 1spr s THR 28 Ca 0.00 0.62 -0.10 0.00 0.31 0.00 0.00 61.69 62.51 1spr s THR 28 Cb 0.00 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1spr s THR 28 CO 0.00 0.04 0.37 0.72 -0.69 0.00 0.00 174.62 175.06 1spr s PHE 29 N -1.37 0.43 0.02 4.92 -0.71 -0.38 -0.19 117.98 120.70 1spr s PHE 29 Ca 0.61 -0.78 -0.22 0.00 -1.04 0.00 0.00 56.93 55.51 1spr s PHE 29 Cb -0.35 0.02 0.05 0.00 -1.21 0.00 0.00 43.02 41.53 1spr s PHE 29 CO 0.43 -0.84 0.49 -0.48 -1.34 0.00 0.00 175.22 173.48 1spr s LEU 30 N -3.00 0.06 -0.20 -1.99 0.05 -0.49 -0.73 118.68 112.38 1spr s LEU 30 Ca 0.21 0.22 -0.03 0.00 0.05 0.00 0.00 54.13 54.58 1spr s LEU 30 Cb 0.02 1.99 -0.01 0.00 -2.05 0.00 0.00 46.19 46.14 1spr s LEU 30 CO 0.05 -0.65 -0.06 -0.69 -0.55 0.00 0.00 176.35 174.45 1spr s VAL 31 N -2.08 3.35 0.34 1.48 1.01 0.41 -0.83 120.40 124.09 1spr s VAL 31 Ca -0.07 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1spr s VAL 31 Cb -0.01 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 1spr s VAL 31 CO 0.01 0.45 -0.00 0.00 0.00 0.00 0.00 175.10 175.56 1spr s ARG 32 N 1.16 2.03 0.21 2.72 1.70 -0.06 0.05 118.95 126.76 1spr s ARG 32 Ca 0.02 -1.80 -0.28 0.00 -0.47 0.00 0.00 55.73 53.20 1spr s ARG 32 Cb -0.14 -1.88 -0.09 0.00 -0.57 0.00 0.00 34.95 32.27 1spr s ARG 32 CO -0.01 0.12 0.88 -1.21 -1.08 0.00 0.00 175.30 174.00 1spr s GLU 33 N -3.70 4.75 0.46 3.89 2.02 -0.46 -0.65 118.70 125.02 1spr s GLU 33 Ca 0.35 1.37 -0.25 0.00 0.02 0.00 0.00 54.97 56.45 1spr s GLU 33 Cb 0.01 -3.27 -0.08 0.00 0.10 0.00 0.00 34.13 30.89 1spr s GLU 33 CO 0.19 0.54 1.39 -1.54 0.02 0.00 0.00 175.26 175.86 1spr s SER 34 N -1.16 5.88 0.00 -0.19 1.04 0.28 -4.72 113.70 114.82 1spr s SER 34 Ca 0.39 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.66 1spr s SER 34 Cb -0.25 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.22 1spr s SER 34 CO 0.30 -1.17 0.00 -1.84 0.98 0.00 0.00 173.24 171.51 1spr n GLU 35 N -0.25 0.00 -0.32 4.02 0.28 -1.26 -4.28 120.64 118.83 1spr n GLU 35 Ca 0.06 0.00 0.28 0.00 -0.16 0.00 0.00 57.16 57.33 1spr n GLU 35 Cb 0.43 0.00 0.52 0.00 1.43 0.00 0.00 31.44 33.82 1spr n GLU 35 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1spr n THR 36 N 0.00 -0.42 0.26 3.84 -1.04 -1.26 0.31 114.28 115.98 1spr n THR 36 Ca 0.00 2.05 0.12 0.00 -2.04 0.00 0.00 64.05 64.17 1spr n THR 36 Cb 0.00 -3.25 0.07 0.00 -1.82 0.00 0.00 70.33 65.34 1spr n THR 36 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1spr h THR 37 N 0.00 0.00 -3.97 12.58 2.02 -2.00 -3.50 112.91 118.04 1spr h THR 37 Ca 0.79 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1spr h THR 37 Cb 2.01 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1spr h THR 37 CO -0.80 0.00 -0.97 0.29 0.37 0.00 0.00 175.52 174.41 1spr n LYS 38 N -2.55 -4.92 0.00 6.66 4.76 0.15 -4.91 118.16 117.34 1spr n LYS 38 Ca 0.01 3.65 0.00 0.00 -2.87 0.00 0.00 58.31 59.11 1spr n LYS 38 Cb 0.51 -4.10 0.00 0.00 -1.84 0.00 0.00 35.03 29.61 1spr n LYS 38 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1spr n GLY 39 N -0.69 2.87 0.00 0.72 0.00 -1.26 -5.00 105.19 101.83 1spr n GLY 39 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1spr n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spr n ALA 40 N 0.00 0.00 -2.43 4.61 0.00 -1.26 -4.97 120.51 116.45 1spr n ALA 40 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1spr n ALA 40 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1spr n ALA 40 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1spr s TYR 41 N 3.14 1.92 -0.02 0.00 2.02 -1.23 -0.56 117.35 122.63 1spr s TYR 41 Ca 0.00 -0.92 -0.01 0.00 -0.37 0.00 0.00 57.07 55.77 1spr s TYR 41 Cb 0.00 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1spr s TYR 41 CO 0.00 0.04 0.04 0.00 -1.57 0.00 0.00 175.55 174.06 1spr s LEU 43 N 0.36 4.08 -0.08 0.00 2.96 0.01 -0.88 118.68 125.13 1spr s LEU 43 Ca -0.03 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1spr s LEU 43 Cb -0.04 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1spr s LEU 43 CO -0.01 0.08 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.48 1spr s SER 44 N 0.95 3.68 -0.07 3.68 0.01 -0.01 -0.13 113.70 121.80 1spr s SER 44 Ca 0.07 -0.36 -0.05 0.00 1.31 0.00 0.00 55.95 56.93 1spr s SER 44 Cb -0.13 -1.14 0.03 0.00 0.21 0.00 0.00 66.02 64.99 1spr s SER 44 CO 0.03 0.24 0.18 0.54 0.41 0.00 0.00 173.24 174.65 1spr s VAL 45 N -0.13 -0.03 -0.26 3.43 0.11 -0.29 -1.40 120.40 121.84 1spr s VAL 45 Ca -0.03 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 1spr s VAL 45 Cb -0.14 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1spr s VAL 45 CO 0.04 0.04 1.09 -0.94 -3.33 0.00 0.00 175.10 171.99 1spr s SER 46 N 0.76 7.00 0.57 3.54 1.04 0.73 -1.25 113.70 126.09 1spr s SER 46 Ca -0.05 1.27 0.08 0.00 0.48 0.00 0.00 55.95 57.72 1spr s SER 46 Cb -0.07 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.59 1spr s SER 46 CO -0.04 -0.78 0.66 -0.67 0.98 0.00 0.00 173.24 173.39 1spr n ASP 47 N 6.62 2.38 -3.69 7.02 2.03 0.16 -0.65 116.55 130.42 1spr n ASP 47 Ca 0.12 -2.69 -0.12 0.00 0.52 0.00 0.00 54.79 52.63 1spr n ASP 47 Cb 0.46 -0.28 -0.09 0.00 -0.72 0.00 0.00 41.12 40.49 1spr n ASP 47 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1spr s PHE 48 N -2.68 -0.64 0.19 -0.67 5.36 -1.26 -1.91 117.98 116.37 1spr s PHE 48 Ca 0.50 1.44 -0.08 0.00 -0.96 0.00 0.00 56.93 57.83 1spr s PHE 48 Cb -0.04 0.27 -0.01 0.00 -0.34 0.00 0.00 43.02 42.90 1spr s PHE 48 CO 0.32 -0.33 0.29 0.16 -1.46 0.00 0.00 175.22 174.21 1spr s ASP 49 N 0.79 0.04 0.08 6.13 -4.77 -1.03 -4.95 116.67 112.96 1spr s ASP 49 Ca -0.04 -0.98 -0.20 0.00 -3.30 0.00 0.00 52.55 48.03 1spr s ASP 49 Cb -0.05 0.46 -0.09 0.00 -1.09 0.00 0.00 42.92 42.14 1spr s ASP 49 CO -0.06 -0.93 1.54 0.78 0.70 0.00 0.00 175.17 177.20 1spr h ASN 50 N 2.50 0.35 0.54 2.11 4.21 -2.02 0.20 115.58 123.47 1spr h ASN 50 Ca -0.31 -0.27 -0.03 0.00 1.21 0.00 0.00 56.30 56.90 1spr h ASN 50 Cb 1.24 -0.09 0.01 0.00 -1.12 0.00 0.00 38.32 38.35 1spr h ASN 50 CO 0.46 0.53 -0.26 0.00 -1.29 0.00 0.00 177.43 176.88 1spr h ALA 51 N 0.83 -0.72 0.06 -0.83 0.00 -2.06 -3.34 119.26 113.20 1spr h ALA 51 Ca 0.06 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 1spr h ALA 51 Cb 0.34 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1spr h ALA 51 CO 0.01 -0.79 -1.44 -0.22 0.00 0.00 0.00 179.25 176.80 1spr h LYS 52 N -0.95 0.12 0.00 0.00 3.11 -1.99 -3.51 116.57 113.35 1spr h LYS 52 Ca -0.07 -0.21 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1spr h LYS 52 Cb 0.63 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 1spr h LYS 52 CO 0.12 0.93 0.00 0.41 -2.81 0.00 0.00 179.45 178.10 1spr n GLY 53 N 1.56 -0.52 3.67 5.01 0.00 0.71 -4.79 105.19 110.84 1spr n GLY 53 Ca -0.13 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1spr n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1spr s LEU 54 N 0.00 4.33 -0.01 0.99 2.96 -1.26 -2.46 118.68 123.23 1spr s LEU 54 Ca 0.00 2.26 -0.08 0.00 -0.22 0.00 0.00 54.13 56.10 1spr s LEU 54 Cb 0.00 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1spr s LEU 54 CO 0.00 -0.88 0.15 0.54 -1.32 0.00 0.00 176.35 174.85 1spr s ASN 55 N 2.84 -0.02 -0.12 3.68 2.20 -0.80 -4.98 114.94 117.75 1spr s ASN 55 Ca 0.71 -0.10 -0.11 0.00 -0.94 0.00 0.00 52.86 52.42 1spr s ASN 55 Cb -0.34 0.24 -0.05 0.00 -2.00 0.00 0.00 41.25 39.10 1spr s ASN 55 CO 0.29 -0.32 0.25 -0.69 -2.94 0.00 0.00 177.10 173.69 1spr s VAL 56 N -1.14 5.32 -0.08 3.54 1.01 -1.26 0.35 120.40 128.15 1spr s VAL 56 Ca -0.12 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1spr s VAL 56 Cb -0.06 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1spr s VAL 56 CO 0.01 0.51 -0.14 -0.54 0.00 0.00 0.00 175.10 174.94 1spr s LYS 57 N -0.35 2.82 -0.18 2.72 -0.14 -0.38 -4.94 119.74 119.29 1spr s LYS 57 Ca 0.17 -0.70 -0.06 0.00 -1.36 0.00 0.00 55.97 54.01 1spr s LYS 57 Cb -0.13 -2.46 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1spr s LYS 57 CO 0.05 0.47 0.04 -1.01 -0.76 0.00 0.00 175.35 174.14 1spr s HIS 58 N -0.32 3.18 -0.14 3.18 3.76 -1.26 -1.13 115.29 122.56 1spr s HIS 58 Ca 0.03 -0.05 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 1spr s HIS 58 Cb -0.13 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.52 1spr s HIS 58 CO 0.02 0.08 -0.19 0.71 -0.85 0.00 0.00 174.74 174.51 1spr s TYR 59 N 0.44 2.50 -0.06 1.40 2.02 0.81 -4.97 117.35 119.49 1spr s TYR 59 Ca 0.01 -1.31 -0.30 0.00 -0.37 0.00 0.00 57.07 55.11 1spr s TYR 59 Cb -0.13 -1.73 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 1spr s TYR 59 CO 0.01 -0.63 1.47 0.15 -1.57 0.00 0.00 175.55 174.98 1spr s LYS 60 N 1.01 4.23 -0.91 -0.62 1.02 -1.26 -0.81 119.74 122.39 1spr s LYS 60 Ca -0.03 1.99 -0.19 0.00 0.02 0.00 0.00 55.97 57.76 1spr s LYS 60 Cb -0.15 -3.77 0.13 0.00 -0.52 0.00 0.00 37.83 33.52 1spr s LYS 60 CO -0.05 -0.71 1.11 0.42 -0.92 0.00 0.00 175.35 175.20 1spr s ILE 61 N 3.27 4.73 1.04 2.17 1.01 -0.15 -4.48 121.20 128.79 1spr s ILE 61 Ca 0.66 -1.54 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 1spr s ILE 61 Cb -0.30 -4.77 0.22 0.00 0.01 0.00 0.00 42.46 37.62 1spr s ILE 61 CO 0.25 -1.49 1.19 -0.13 0.00 0.00 0.00 174.94 174.76 1spr s ARG 62 N 2.69 0.08 -0.03 2.79 0.52 -0.34 -3.50 118.95 121.16 1spr s ARG 62 Ca 0.32 -0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 55.42 1spr s ARG 62 Cb -0.06 -1.75 0.02 0.00 0.52 0.00 0.00 34.95 33.68 1spr s ARG 62 CO -0.09 -2.84 0.06 0.21 0.02 0.00 0.00 175.30 172.67 1spr s LYS 63 N -5.55 0.03 -0.01 3.54 2.20 -1.26 -2.05 119.74 116.65 1spr s LYS 63 Ca 0.70 0.16 -0.16 0.00 -0.36 0.00 0.00 55.97 56.31 1spr s LYS 63 Cb -0.09 -0.09 -0.06 0.00 -1.51 0.00 0.00 37.83 36.08 1spr s LYS 63 CO 0.54 -0.08 0.45 -0.51 -0.36 0.00 0.00 175.35 175.38 1spr s LEU 64 N 0.55 4.45 0.59 5.43 2.01 -0.43 -4.94 118.68 126.33 1spr s LEU 64 Ca -0.04 0.99 0.29 0.00 0.01 0.00 0.00 54.13 55.37 1spr s LEU 64 Cb -0.06 -2.66 1.50 0.00 0.01 0.00 0.00 46.19 44.98 1spr s LEU 64 CO -0.02 0.26 1.92 0.44 1.01 0.00 0.00 176.35 179.96 1spr h ASP 65 N 5.04 0.00 0.00 2.29 3.32 -2.01 -1.76 116.42 123.30 1spr h ASP 65 Ca -0.49 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 55.92 1spr h ASP 65 Cb 1.21 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.79 1spr h ASP 65 CO 0.64 0.00 3.72 -1.20 -1.72 0.00 0.00 179.24 180.68 1spr n SER 66 N -3.69 8.26 0.00 6.45 7.64 -1.26 -4.90 113.62 126.13 1spr n SER 66 Ca 0.07 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.40 1spr n SER 66 Cb 0.62 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1spr n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1spr n GLY 67 N 3.61 0.44 3.87 0.23 0.00 -0.66 -4.96 105.19 107.72 1spr n GLY 67 Ca 0.75 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.55 1spr n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1spr s GLY 68 N 0.00 1.44 0.49 -0.02 0.00 -1.24 -4.74 107.32 103.25 1spr s GLY 68 Ca 0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 44.72 43.13 1spr s GLY 68 CO 0.00 -1.43 0.95 -1.36 0.00 0.00 0.00 173.10 171.26 1spr s PHE 69 N -2.14 3.44 -0.11 1.90 0.08 0.68 -1.32 117.98 120.51 1spr s PHE 69 Ca 0.35 1.43 -0.28 0.00 0.12 0.00 0.00 56.93 58.55 1spr s PHE 69 Cb -0.08 -2.75 0.07 0.00 -0.57 0.00 0.00 43.02 39.69 1spr s PHE 69 CO 0.26 -0.30 0.67 1.52 -0.10 0.00 0.00 175.22 177.28 1spr s TYR 70 N -2.53 -0.67 -0.21 0.36 1.13 -0.87 0.17 117.35 114.73 1spr s TYR 70 Ca 0.58 1.31 -0.02 0.00 -1.41 0.00 0.00 57.07 57.53 1spr s TYR 70 Cb -0.10 0.35 -0.12 0.00 -1.10 0.00 0.00 41.96 40.99 1spr s TYR 70 CO 0.29 -0.53 -0.21 -0.89 -2.51 0.00 0.00 175.55 171.69 1spr n ILE 71 N 1.44 1.18 -3.92 -3.49 5.41 -1.26 -1.20 119.36 117.52 1spr n ILE 71 Ca -0.18 -0.40 -0.24 0.00 1.00 0.00 0.00 62.75 62.93 1spr n ILE 71 Cb 0.56 -1.41 -0.04 0.00 -0.71 0.00 0.00 39.64 38.05 1spr n ILE 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1spr s THR 72 N -2.40 2.17 -1.81 1.39 -4.23 -1.26 -4.93 115.64 104.57 1spr s THR 72 Ca -0.28 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1spr s THR 72 Cb 0.09 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1spr s THR 72 CO 0.44 0.00 0.91 -1.54 -0.54 0.00 0.00 174.62 173.89 1spr n SER 73 N -1.48 0.20 -0.09 3.99 3.41 -1.26 -4.11 113.62 114.28 1spr n SER 73 Ca -0.01 -2.00 -0.10 0.00 -0.26 0.00 0.00 58.87 56.50 1spr n SER 73 Cb 0.64 -0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1spr n SER 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1spr n ARG 74 N -0.40 1.08 -3.88 4.33 1.74 -1.26 -5.04 116.66 113.23 1spr n ARG 74 Ca 0.00 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.02 1spr n ARG 74 Cb 0.05 -1.40 -0.08 0.00 -1.02 0.00 0.00 32.46 30.00 1spr n ARG 74 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1spr s THR 75 N -2.39 0.13 0.11 0.55 -4.23 -1.26 -5.17 115.64 103.38 1spr s THR 75 Ca -0.15 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1spr s THR 75 Cb 0.06 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.79 1spr s THR 75 CO 0.58 -0.59 -0.17 -1.10 -0.54 0.00 0.00 174.62 172.80 1spr s GLN 76 N -3.05 1.02 -0.01 3.99 1.11 -1.26 -4.54 119.66 116.92 1spr s GLN 76 Ca -0.01 -1.15 0.03 0.00 0.01 0.00 0.00 55.36 54.24 1spr s GLN 76 Cb 0.01 -1.07 -0.01 0.00 -1.01 0.00 0.00 33.01 30.94 1spr s GLN 76 CO -0.07 0.23 -0.10 -0.06 0.01 0.00 0.00 175.29 175.31 1spr s PHE 77 N -1.58 0.86 -0.71 0.91 0.08 0.13 -4.92 117.98 112.75 1spr s PHE 77 Ca 0.06 -0.17 0.25 0.00 0.12 0.00 0.00 56.93 57.19 1spr s PHE 77 Cb -0.08 -0.55 0.90 0.00 -0.57 0.00 0.00 43.02 42.71 1spr s PHE 77 CO 0.04 -0.01 1.76 -1.13 -0.10 0.00 0.00 175.22 175.77 1spr n SER 78 N 2.82 0.65 -3.83 1.36 3.41 -1.26 -0.23 113.62 116.54 1spr n SER 78 Ca -0.14 0.59 -0.10 0.00 -0.26 0.00 0.00 58.87 58.97 1spr n SER 78 Cb 0.57 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 1spr n SER 78 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1spr s SER 79 N -4.22 0.05 0.20 4.04 1.04 -1.26 -4.82 113.70 108.73 1spr s SER 79 Ca 0.09 -0.49 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 1spr s SER 79 Cb 0.12 0.33 0.16 0.00 0.10 0.00 0.00 66.02 66.73 1spr s SER 79 CO 0.52 -0.66 1.83 -0.07 0.98 0.00 0.00 173.24 175.84 1spr h LEU 80 N 3.03 0.63 -0.79 2.42 3.38 -1.99 -1.53 115.31 120.45 1spr h LEU 80 Ca -0.33 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1spr h LEU 80 Cb 1.20 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1spr h LEU 80 CO 0.52 0.44 0.47 1.56 0.09 0.00 0.00 178.44 181.52 1spr h GLN 81 N 0.76 0.82 -0.31 1.13 7.50 -1.97 -0.00 115.11 123.04 1spr h GLN 81 Ca 0.25 -0.05 -0.16 0.00 0.50 0.00 0.00 58.65 59.20 1spr h GLN 81 Cb 0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.36 1spr h GLN 81 CO -0.11 0.55 -0.43 0.37 -1.50 0.00 0.00 178.83 177.71 1spr h GLN 82 N 0.85 0.78 -0.39 1.46 4.15 -1.88 -2.88 115.11 117.20 1spr h GLN 82 Ca 0.36 -0.43 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1spr h GLN 82 Cb 0.21 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1spr h GLN 82 CO -0.19 1.05 0.17 1.25 -1.93 0.00 0.00 178.83 179.18 1spr h LEU 83 N 0.63 0.54 -1.46 -2.39 6.46 -0.36 -2.00 115.31 116.73 1spr h LEU 83 Ca 0.04 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 1spr h LEU 83 Cb 0.99 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1spr h LEU 83 CO 0.09 0.55 -0.02 0.58 -0.62 0.00 0.00 178.44 179.02 1spr h VAL 84 N 0.49 1.15 0.03 1.05 2.07 -1.03 -2.45 116.25 117.57 1spr h VAL 84 Ca 0.13 -0.60 -0.25 0.00 0.82 0.00 0.00 66.70 66.80 1spr h VAL 84 Cb 0.17 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1spr h VAL 84 CO -0.01 0.20 -1.04 0.00 0.02 0.00 0.00 177.57 176.74 1spr h ALA 85 N 1.67 0.24 0.27 1.67 0.00 -1.35 -1.83 119.26 119.92 1spr h ALA 85 Ca 0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1spr h ALA 85 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1spr h ALA 85 CO 0.01 0.79 -0.13 -0.92 0.00 0.00 0.00 179.25 179.00 1spr h TYR 86 N 0.25 -0.34 0.00 0.00 3.20 -1.22 -3.20 116.97 115.66 1spr h TYR 86 Ca -0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1spr h TYR 86 Cb 1.69 0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.08 1spr h TYR 86 CO 0.08 -0.02 0.00 0.66 -1.64 0.00 0.00 178.16 177.24 1spr n TYR 87 N -5.12 0.00 0.14 -3.82 4.01 -0.94 -1.15 117.16 110.30 1spr n TYR 87 Ca -0.09 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.67 1spr n TYR 87 Cb 0.25 -0.35 0.11 0.00 -0.31 0.00 0.00 39.34 39.04 1spr n TYR 87 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1spr h SER 88 N 0.00 0.00 0.02 7.72 0.02 -1.32 0.95 113.55 120.95 1spr h SER 88 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1spr h SER 88 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1spr h SER 88 CO 0.00 0.53 -1.44 0.29 -1.14 0.00 0.00 176.83 175.06 1spr n LYS 89 N -3.35 0.31 -3.69 3.45 4.76 -0.30 -4.49 118.16 114.85 1spr n LYS 89 Ca 0.01 -0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.22 1spr n LYS 89 Cb 0.69 -1.51 -0.09 0.00 -1.84 0.00 0.00 35.03 32.28 1spr n LYS 89 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1spr s HIS 90 N -3.24 -0.57 -0.04 2.13 3.76 -0.75 -5.02 115.29 111.56 1spr s HIS 90 Ca 0.01 1.35 -0.25 0.00 -0.15 0.00 0.00 55.06 56.03 1spr s HIS 90 Cb 0.15 0.21 -0.19 0.00 1.11 0.00 0.00 32.58 33.86 1spr s HIS 90 CO 0.88 -0.30 1.12 0.00 -0.85 0.00 0.00 174.74 175.59 1spr h ALA 91 N 5.11 -0.11 -6.89 -1.40 0.00 -1.82 -3.37 119.26 110.79 1spr h ALA 91 Ca -0.28 -0.25 -0.58 0.00 0.00 0.00 0.00 54.91 53.80 1spr h ALA 91 Cb 1.17 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 1spr h ALA 91 CO 0.19 -0.29 -0.95 -3.47 0.00 0.00 0.00 179.25 174.73 1spr n ASP 92 N -4.89 -0.13 0.00 0.00 2.03 -1.26 -1.51 116.55 110.79 1spr n ASP 92 Ca -0.08 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.02 1spr n ASP 92 Cb 0.27 -2.05 0.00 0.00 -0.72 0.00 0.00 41.12 38.62 1spr n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1spr n GLY 93 N -2.35 1.60 3.73 0.27 0.00 -1.26 -4.97 105.19 102.22 1spr n GLY 93 Ca -0.29 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 1spr n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1spr s LEU 94 N 0.00 2.42 0.55 0.99 1.02 -0.57 -4.95 118.68 118.14 1spr s LEU 94 Ca 0.00 1.54 0.31 0.00 0.02 0.00 0.00 54.13 56.00 1spr s LEU 94 Cb 0.00 -4.02 1.57 0.00 0.02 0.00 0.00 46.19 43.75 1spr s LEU 94 CO 0.00 -2.49 2.09 0.00 0.02 0.00 0.00 176.35 175.97 1spr s HIS 96 N -4.06 -0.22 0.73 0.00 5.65 -1.26 -5.07 115.29 111.06 1spr s HIS 96 Ca -0.02 0.15 -0.11 0.00 0.25 0.00 0.00 55.06 55.33 1spr s HIS 96 Cb 0.12 0.52 0.03 0.00 -1.18 0.00 0.00 32.58 32.07 1spr s HIS 96 CO 0.55 -0.33 1.07 -0.98 -0.65 0.00 0.00 174.74 174.40 1spr s ARG 97 N -2.61 2.64 -0.15 2.88 1.70 -1.26 -4.63 118.95 117.51 1spr s ARG 97 Ca 0.07 0.95 -0.25 0.00 -0.47 0.00 0.00 55.73 56.03 1spr s ARG 97 Cb -0.01 -1.96 -0.02 0.00 -0.57 0.00 0.00 34.95 32.39 1spr s ARG 97 CO -0.06 -1.31 0.80 -0.51 -1.08 0.00 0.00 175.30 173.14 1spr s LEU 98 N -5.67 4.19 -0.26 -1.89 1.43 0.33 -4.48 118.68 112.33 1spr s LEU 98 Ca 0.59 1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 54.71 1spr s LEU 98 Cb -0.15 -3.19 -0.11 0.00 0.03 0.00 0.00 46.19 42.77 1spr s LEU 98 CO 0.55 -0.35 -0.34 0.35 0.23 0.00 0.00 176.35 176.79 1spr n THR 99 N 4.59 1.44 -3.58 5.49 -2.24 0.08 -4.45 114.28 115.61 1spr n THR 99 Ca 0.03 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 1spr n THR 99 Cb 0.49 -1.86 -0.05 0.00 -2.10 0.00 0.00 70.33 66.81 1spr n THR 99 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1spr s ASN 100 N -7.34 -0.41 0.10 3.42 4.22 -1.22 -4.97 114.94 108.74 1spr s ASN 100 Ca -0.37 0.08 -0.31 0.00 -2.14 0.00 0.00 52.86 50.13 1spr s ASN 100 Cb 0.14 0.49 -0.10 0.00 1.28 0.00 0.00 41.25 43.06 1spr s ASN 100 CO 0.46 -0.75 1.79 -0.69 -2.04 0.00 0.00 177.10 175.87 1spr s VAL 101 N -2.72 2.69 0.11 3.54 1.01 -1.26 -1.25 120.40 122.52 1spr s VAL 101 Ca -0.04 0.16 -0.36 0.00 0.00 0.00 0.00 61.98 61.75 1spr s VAL 101 Cb -0.00 -3.10 -0.16 0.00 0.00 0.00 0.00 36.38 33.11 1spr s VAL 101 CO -0.04 -0.00 1.41 0.00 0.00 0.00 0.00 175.10 176.47 1spr s PRO 103 N 0.60 3.64 0.00 0.00 0.04 -1.26 -5.00 135.00 133.01 1spr s PRO 103 Ca 0.82 1.78 0.30 0.00 0.04 0.00 0.00 61.00 63.94 1spr s PRO 103 Cb -0.86 -2.32 1.41 0.00 0.04 0.00 0.00 34.50 32.76 1spr s PRO 103 CO 0.44 -0.65 1.95 2.41 0.04 0.00 0.00 177.00 181.18