#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ams s ALA 2 N 0.00 2.93 0.91 0.00 0.00 -1.26 -5.02 121.76 119.31 2ams s ALA 2 Ca 0.00 0.64 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 2ams s ALA 2 Cb 0.00 -3.26 0.14 0.00 0.00 0.00 0.00 23.12 20.00 2ams s ALA 2 CO 0.00 -0.29 1.12 -1.25 0.00 0.00 0.00 175.76 175.34 2ams s PRO 3 N -3.04 1.09 0.52 0.00 0.04 -1.26 -4.89 135.00 127.46 2ams s PRO 3 Ca 0.65 1.40 0.17 0.00 0.04 0.00 0.00 61.00 63.25 2ams s PRO 3 Cb -0.18 -1.75 1.28 0.00 0.04 0.00 0.00 34.50 33.90 2ams s PRO 3 CO 0.22 -2.53 2.14 0.00 0.04 0.00 0.00 177.00 176.87 2ams h ALA 4 N -1.79 2.04 -0.51 8.56 0.00 -2.01 -1.84 119.26 123.72 2ams h ALA 4 Ca -0.45 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2ams h ALA 4 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2ams h ALA 4 CO 0.44 -0.06 0.04 0.27 0.00 0.00 0.00 179.25 179.95 2ams n ASN 5 N -4.53 5.04 -4.75 0.00 6.94 -1.26 -5.00 115.26 111.70 2ams n ASN 5 Ca -0.02 -3.02 -0.38 0.00 -0.02 0.00 0.00 54.58 51.14 2ams n ASN 5 Cb 0.14 -0.66 0.03 0.00 -2.36 0.00 0.00 39.78 36.93 2ams n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ams s ALA 6 N -2.84 2.83 0.18 -2.53 0.00 -0.69 -1.43 121.76 117.28 2ams s ALA 6 Ca 0.51 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 53.43 2ams s ALA 6 Cb 0.40 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 2ams s ALA 6 CO 0.13 -1.27 1.45 0.08 0.00 0.00 0.00 175.76 176.16 2ams s VAL 7 N -1.35 2.87 0.36 0.00 1.01 0.03 -4.79 120.40 118.52 2ams s VAL 7 Ca 0.71 0.66 0.08 0.00 0.00 0.00 0.00 61.98 63.43 2ams s VAL 7 Cb -0.38 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2ams s VAL 7 CO 0.45 0.07 0.11 0.42 0.00 0.00 0.00 175.10 176.16 2ams s THR 8 N 0.64 2.72 -0.31 3.92 -4.23 -1.26 -4.94 115.64 112.18 2ams s THR 8 Ca 0.64 -1.78 0.26 0.00 -1.18 0.00 0.00 61.69 59.63 2ams s THR 8 Cb -0.41 -2.93 0.28 0.00 1.34 0.00 0.00 72.50 70.78 2ams s THR 8 CO 0.36 -0.14 1.78 0.00 -0.54 0.00 0.00 174.62 176.07 2ams h ALA 9 N 1.59 1.00 -0.65 3.99 0.00 -1.94 -2.45 119.26 120.80 2ams h ALA 9 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ams h ALA 9 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2ams h ALA 9 CO 0.66 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.44 2ams n ASP 10 N -2.43 3.99 -4.68 0.00 4.64 -1.26 -4.61 116.55 112.20 2ams n ASP 10 Ca 0.01 -2.12 -0.42 0.00 -1.38 0.00 0.00 54.79 50.89 2ams n ASP 10 Cb 0.22 -0.47 -0.03 0.00 -1.04 0.00 0.00 41.12 39.80 2ams n ASP 10 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2ams s ASP 11 N -1.00 6.73 0.36 1.67 -1.08 -0.93 -4.91 116.67 117.51 2ams s ASP 11 Ca 0.46 2.26 0.05 0.00 -0.52 0.00 0.00 52.55 54.79 2ams s ASP 11 Cb 0.25 -2.55 0.72 0.00 -1.46 0.00 0.00 42.92 39.88 2ams s ASP 11 CO 0.29 -0.83 1.97 -0.65 0.52 0.00 0.00 175.17 176.47 2ams h PRO 12 N 8.40 0.75 -0.26 4.34 0.11 -1.91 -0.39 132.00 143.04 2ams h PRO 12 Ca -0.39 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 2ams h PRO 12 Cb 1.18 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2ams h PRO 12 CO 0.93 0.50 -0.48 1.15 -0.21 0.00 0.00 178.00 179.88 2ams h THR 13 N 0.77 1.30 -0.72 -1.15 2.02 -1.97 -1.42 112.91 111.74 2ams h THR 13 Ca 0.29 -1.68 0.03 0.00 0.77 0.00 0.00 66.41 65.82 2ams h THR 13 Cb 0.17 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 2ams h THR 13 CO -0.09 0.54 0.46 0.00 0.37 0.00 0.00 175.52 176.79 2ams h ALA 14 N 0.90 0.95 -0.10 6.16 0.00 -1.60 -0.06 119.26 125.51 2ams h ALA 14 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ams h ALA 14 Cb 1.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ams h ALA 14 CO 0.10 0.24 0.02 0.82 0.00 0.00 0.00 179.25 180.43 2ams h ILE 15 N 0.89 1.20 -0.60 0.00 2.04 -0.90 -0.12 117.51 120.02 2ams h ILE 15 Ca 0.29 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2ams h ILE 15 Cb 0.02 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2ams h ILE 15 CO -0.11 0.18 0.36 0.00 0.00 0.00 0.00 178.15 178.58 2ams h ALA 16 N 0.81 1.51 -0.07 1.87 0.00 -0.95 -2.12 119.26 120.31 2ams h ALA 16 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ams h ALA 16 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ams h ALA 16 CO 0.00 0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.96 2ams n LEU 17 N -4.42 2.13 -3.77 0.00 4.77 -0.06 -4.96 117.00 110.69 2ams n LEU 17 Ca 0.06 -0.75 -0.27 0.00 -0.03 0.00 0.00 56.01 55.01 2ams n LEU 17 Cb 0.07 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2ams n LEU 17 CO 0.36 0.38 0.16 0.29 -1.33 0.00 0.00 177.39 177.25 2ams n LYS 18 N 0.65 -6.53 -2.08 3.23 5.02 -0.18 0.03 118.16 118.31 2ams n LYS 18 Ca 0.17 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.75 2ams n LYS 18 Cb 0.45 -5.65 -0.02 0.00 -0.02 0.00 0.00 35.03 29.79 2ams n LYS 18 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2ams s TYR 19 N -3.33 3.03 -0.00 2.13 5.04 -0.49 -4.53 117.35 119.19 2ams s TYR 19 Ca 0.59 1.33 0.00 0.00 -2.44 0.00 0.00 57.07 56.55 2ams s TYR 19 Cb -0.28 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.31 2ams s TYR 19 CO 0.79 -2.06 0.00 1.21 -1.34 0.00 0.00 175.55 174.15 2ams s ASN 20 N -0.29 0.02 0.15 4.32 3.84 -0.44 -4.89 114.94 117.65 2ams s ASN 20 Ca 0.51 0.00 0.19 0.00 0.21 0.00 0.00 52.86 53.77 2ams s ASN 20 Cb -0.40 -0.01 0.80 0.00 -0.55 0.00 0.00 41.25 41.09 2ams s ASN 20 CO 0.51 -0.02 1.57 0.00 -2.79 0.00 0.00 177.10 176.38 2ams n GLN 21 N 3.22 0.11 -4.02 0.43 10.64 -1.26 -1.27 117.38 125.22 2ams n GLN 21 Ca -0.14 0.38 -0.31 0.00 -1.83 0.00 0.00 57.00 55.10 2ams n GLN 21 Cb 0.59 -1.72 -0.15 0.00 -0.86 0.00 0.00 30.24 28.09 2ams n GLN 21 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2ams s ASP 22 N -3.70 4.40 0.63 2.61 -1.08 -1.26 -2.73 116.67 115.54 2ams s ASP 22 Ca 0.04 -1.54 0.40 0.00 -0.52 0.00 0.00 52.55 50.93 2ams s ASP 22 Cb 0.08 -1.48 2.17 0.00 -1.46 0.00 0.00 42.92 42.24 2ams s ASP 22 CO 0.30 -0.25 2.30 0.00 0.52 0.00 0.00 175.17 178.05 2ams h ALA 23 N 7.78 1.13 0.00 3.66 0.00 -0.78 -0.78 119.26 130.27 2ams h ALA 23 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ams h ALA 23 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2ams h ALA 23 CO 0.47 0.01 0.00 1.79 0.00 0.00 0.00 179.25 181.52 2ams h THR 24 N 0.00 0.00 -1.71 0.00 1.35 -1.95 -2.71 112.91 107.89 2ams h THR 24 Ca -0.00 -0.49 -0.70 0.00 -0.55 0.00 0.00 66.41 64.68 2ams h THR 24 Cb 0.06 1.43 -0.33 0.00 -1.73 0.00 0.00 68.15 67.58 2ams h THR 24 CO 0.00 0.00 0.40 0.29 -0.25 0.00 0.00 175.52 175.96 2ams n LYS 25 N -2.41 3.00 -4.41 4.72 5.02 -0.30 -5.01 118.16 118.77 2ams n LYS 25 Ca 0.04 -3.85 -0.20 0.00 -2.02 0.00 0.00 58.31 52.28 2ams n LYS 25 Cb 0.39 -2.27 -0.10 0.00 -0.02 0.00 0.00 35.03 33.03 2ams n LYS 25 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2ams s SER 26 N -2.04 2.01 -0.51 4.39 1.04 -1.03 -4.81 113.70 112.76 2ams s SER 26 Ca 0.52 -1.45 0.02 0.00 0.48 0.00 0.00 55.95 55.52 2ams s SER 26 Cb 0.43 0.14 0.59 0.00 0.10 0.00 0.00 66.02 67.28 2ams s SER 26 CO -0.29 -0.73 1.93 -0.62 0.98 0.00 0.00 173.24 174.51 2ams n GLU 27 N -0.65 2.39 -0.17 4.02 1.02 -1.26 -4.66 120.64 121.34 2ams n GLU 27 Ca -0.02 -3.13 0.01 0.00 -0.02 0.00 0.00 57.16 54.01 2ams n GLU 27 Cb 0.66 -2.20 0.29 0.00 -0.02 0.00 0.00 31.44 30.17 2ams n GLU 27 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2ams h ARG 28 N 1.34 0.88 -0.22 3.49 0.11 -1.92 -1.94 114.38 116.12 2ams h ARG 28 Ca 0.61 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.61 2ams h ARG 28 Cb 2.14 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 33.01 2ams h ARG 28 CO 1.23 0.59 0.06 0.28 0.10 0.00 0.00 179.97 182.23 2ams h VAL 29 N 0.91 1.21 -0.84 0.08 2.07 -1.85 -2.43 116.25 115.40 2ams h VAL 29 Ca 0.25 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.11 2ams h VAL 29 Cb -0.10 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2ams h VAL 29 CO -0.05 0.21 0.55 0.00 0.02 0.00 0.00 177.57 178.30 2ams h ALA 30 N 0.88 1.39 0.00 1.67 0.00 -1.80 -2.76 119.26 118.63 2ams h ALA 30 Ca 0.07 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2ams h ALA 30 Cb 0.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2ams h ALA 30 CO 0.00 0.56 -0.52 0.00 0.00 0.00 0.00 179.25 179.30 2ams h ALA 31 N 1.46 1.07 -6.72 0.00 0.00 -1.27 -3.47 119.26 110.34 2ams h ALA 31 Ca 0.31 -0.47 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 2ams h ALA 31 Cb -0.12 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.43 2ams h ALA 31 CO -0.07 0.65 -0.88 0.00 0.00 0.00 0.00 179.25 178.95 2ams n ALA 32 N -2.41 -1.70 -1.76 0.00 0.00 -0.92 -4.88 120.51 108.84 2ams n ALA 32 Ca -0.01 -0.20 -0.39 0.00 0.00 0.00 0.00 53.44 52.84 2ams n ALA 32 Cb 0.55 -2.15 0.02 0.00 0.00 0.00 0.00 19.45 17.87 2ams n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ams s ARG 33 N -6.87 3.57 0.54 0.00 1.81 -1.26 -4.95 118.95 111.79 2ams s ARG 33 Ca 0.31 2.22 -0.16 0.00 -1.72 0.00 0.00 55.73 56.39 2ams s ARG 33 Cb -0.17 -2.51 -0.06 0.00 -0.45 0.00 0.00 34.95 31.75 2ams s ARG 33 CO 0.93 -0.85 1.01 -1.25 -0.68 0.00 0.00 175.30 174.46 2ams s PRO 34 N -2.59 3.74 0.00 3.54 0.04 -1.26 -4.36 135.00 134.11 2ams s PRO 34 Ca 0.64 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2ams s PRO 34 Cb -0.40 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2ams s PRO 34 CO 0.49 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.49 2ams n GLY 35 N -1.45 1.96 3.26 0.56 0.00 -1.26 -4.55 105.19 103.71 2ams n GLY 35 Ca 0.07 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 2ams n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ams s LEU 36 N 0.00 0.81 0.42 0.99 1.43 -1.26 -4.96 118.68 116.11 2ams s LEU 36 Ca 0.00 -0.16 -0.25 0.00 -1.03 0.00 0.00 54.13 52.69 2ams s LEU 36 Cb 0.00 1.41 -0.10 0.00 0.03 0.00 0.00 46.19 47.53 2ams s LEU 36 CO 0.00 -0.62 1.22 -2.65 0.23 0.00 0.00 176.35 174.54 2ams n PRO 37 N 0.59 1.82 -0.05 1.29 -0.02 -1.26 -4.86 135.00 132.50 2ams n PRO 37 Ca -0.19 0.65 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 2ams n PRO 37 Cb 0.59 -2.32 0.40 0.00 -0.02 0.00 0.00 33.50 32.15 2ams n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2ams h PRO 38 N 1.99 0.62 0.00 0.52 0.13 -1.86 -1.64 132.00 131.75 2ams h PRO 38 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2ams h PRO 38 Cb 1.30 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2ams h PRO 38 CO 0.59 0.41 0.00 0.93 -0.23 0.00 0.00 178.00 179.70 2ams h GLU 39 N 0.63 0.00 -0.01 0.86 4.39 -1.90 -1.87 114.58 116.69 2ams h GLU 39 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2ams h GLU 39 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2ams h GLU 39 CO -0.04 0.00 -0.20 0.39 -1.16 0.00 0.00 179.01 177.99 2ams n GLU 40 N -2.34 1.16 -3.24 2.33 1.02 -0.62 -4.94 120.64 114.01 2ams n GLU 40 Ca 0.01 -0.74 -0.39 0.00 -0.02 0.00 0.00 57.16 56.02 2ams n GLU 40 Cb 0.16 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 2ams n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2ams s GLN 41 N -2.35 4.31 0.30 3.49 -0.21 -0.70 -4.97 119.66 119.52 2ams s GLN 41 Ca 0.27 0.64 -0.20 0.00 0.02 0.00 0.00 55.36 56.10 2ams s GLN 41 Cb 0.20 -3.37 0.04 0.00 1.00 0.00 0.00 33.01 30.88 2ams s GLN 41 CO 0.47 0.30 0.79 -3.38 -2.12 0.00 0.00 175.29 171.35 2ams s HIS 42 N 0.08 -0.06 0.39 0.91 -3.43 -1.26 -4.88 115.29 107.03 2ams s HIS 42 Ca 0.30 -0.47 0.09 0.00 -0.80 0.00 0.00 55.06 54.19 2ams s HIS 42 Cb -0.17 0.75 0.86 0.00 -1.43 0.00 0.00 32.58 32.59 2ams s HIS 42 CO 0.15 -1.31 1.95 0.00 -2.00 0.00 0.00 174.74 173.54 2ams h ALA 44 N 1.64 1.32 -0.32 0.00 0.00 -1.53 -0.95 119.26 119.42 2ams h ALA 44 Ca 0.32 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 2ams h ALA 44 Cb 0.44 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 2ams h ALA 44 CO -0.11 0.03 -0.11 0.27 0.00 0.00 0.00 179.25 179.33 2ams n ASN 45 N -3.57 2.46 -4.77 0.00 0.23 -0.75 -4.99 115.26 103.87 2ams n ASN 45 Ca -0.03 -3.75 -0.36 0.00 -0.53 0.00 0.00 54.58 49.91 2ams n ASN 45 Cb 0.12 -0.62 -0.08 0.00 -2.08 0.00 0.00 39.78 37.12 2ams n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ams h GLN 47 N 5.11 0.00 -0.01 0.00 5.75 -0.88 -2.15 115.11 122.93 2ams h GLN 47 Ca -0.52 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 2ams h GLN 47 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2ams h GLN 47 CO 0.56 0.00 -0.09 1.19 -2.65 0.00 0.00 178.83 177.84 2ams n PHE 48 N -4.06 0.00 -2.46 3.99 3.72 -1.26 -4.86 117.46 112.52 2ams n PHE 48 Ca -0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2ams n PHE 48 Cb 0.23 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 2ams n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2ams s MET 49 N -2.22 4.54 -0.38 -1.08 1.75 -0.81 -0.87 119.30 120.24 2ams s MET 49 Ca 0.34 1.78 -0.06 0.00 -1.25 0.00 0.00 55.69 56.49 2ams s MET 49 Cb 0.20 -3.27 0.07 0.00 2.84 0.00 0.00 34.83 34.67 2ams s MET 49 CO 0.41 -0.01 0.17 -0.65 -0.65 0.00 0.00 175.02 174.29 2ams s GLN 50 N -0.19 2.49 0.00 4.11 -0.21 -0.01 -4.94 119.66 120.91 2ams s GLN 50 Ca 0.51 -1.41 0.28 0.00 0.02 0.00 0.00 55.36 54.76 2ams s GLN 50 Cb -0.30 -3.58 1.15 0.00 1.00 0.00 0.00 33.01 31.27 2ams s GLN 50 CO 0.35 -0.85 1.84 0.00 -2.12 0.00 0.00 175.29 174.51 2ams n ALA 51 N 4.80 2.70 -0.52 6.09 0.00 -1.26 -2.50 120.51 129.81 2ams n ALA 51 Ca -0.10 -0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.24 2ams n ALA 51 Cb 0.43 -1.37 0.35 0.00 0.00 0.00 0.00 19.45 18.86 2ams n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ams n ASN 52 N -1.31 4.61 -4.31 0.00 4.05 -1.26 -4.89 115.26 112.15 2ams n ASN 52 Ca 0.10 -2.41 -0.31 0.00 0.45 0.00 0.00 54.58 52.41 2ams n ASN 52 Cb 0.31 -0.57 -0.16 0.00 1.23 0.00 0.00 39.78 40.59 2ams n ASN 52 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2ams s VAL 53 N -1.79 2.05 0.00 3.44 1.01 -1.04 -5.04 120.40 119.02 2ams s VAL 53 Ca 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2ams s VAL 53 Cb 0.32 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2ams s VAL 53 CO 0.25 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.53 2ams n GLY 54 N 2.47 -1.70 3.47 4.51 0.00 -1.26 -2.95 105.19 109.73 2ams n GLY 54 Ca -0.16 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 2ams n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ams s GLU 55 N 0.00 0.66 6.91 1.61 -6.30 -0.40 -4.98 118.70 116.20 2ams s GLU 55 Ca 0.00 0.81 0.00 0.00 -2.50 0.00 0.00 54.97 53.28 2ams s GLU 55 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 34.13 34.44 2ams s GLU 55 CO 0.00 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.61 2ams n GLY 56 N 2.88 2.21 0.00 -1.50 0.00 -1.26 -1.75 105.19 105.77 2ams n GLY 56 Ca -0.14 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.64 2ams n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ams n ASP 57 N 5.32 0.00 -4.12 1.61 8.00 -1.26 -4.69 116.55 121.40 2ams n ASP 57 Ca 0.00 -1.11 -0.34 0.00 0.71 0.00 0.00 54.79 54.05 2ams n ASP 57 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2ams n ASP 57 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2ams s TRP 58 N -2.00 3.43 0.33 1.24 0.52 -0.72 -0.86 118.94 120.89 2ams s TRP 58 Ca 0.41 -2.24 0.06 0.00 0.02 0.00 0.00 56.10 54.35 2ams s TRP 58 Cb 0.19 -2.52 -0.07 0.00 -1.15 0.00 0.00 33.47 29.92 2ams s TRP 58 CO 0.32 -0.88 -0.01 0.15 0.02 0.00 0.00 176.95 176.55 2ams s LYS 59 N 1.15 1.72 0.65 4.98 -0.14 -0.34 -1.27 119.74 126.48 2ams s LYS 59 Ca 0.01 -1.93 -0.12 0.00 -1.36 0.00 0.00 55.97 52.57 2ams s LYS 59 Cb -0.20 -1.26 -0.02 0.00 -1.68 0.00 0.00 37.83 34.67 2ams s LYS 59 CO -0.03 -0.04 1.05 0.20 -0.76 0.00 0.00 175.35 175.76 2ams s GLY 60 N -3.54 1.78 -0.07 -3.33 0.00 -1.11 -0.35 107.32 100.69 2ams s GLY 60 Ca 0.33 0.12 0.01 0.00 0.00 0.00 0.00 44.72 45.18 2ams s GLY 60 CO 0.15 0.42 -0.09 0.00 0.00 0.00 0.00 173.10 173.58 2ams h GLN 62 N 7.35 0.11 0.00 0.00 -0.00 -1.36 -0.82 115.11 120.39 2ams h GLN 62 Ca -0.32 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 2ams h GLN 62 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.62 2ams h GLN 62 CO 0.45 0.08 0.00 1.28 0.00 0.00 0.00 178.83 180.64 2ams n LEU 63 N -4.45 0.00 -3.38 -2.39 4.77 -1.26 -4.10 117.00 106.19 2ams n LEU 63 Ca 0.06 0.46 -0.26 0.00 -0.03 0.00 0.00 56.01 56.24 2ams n LEU 63 Cb 0.38 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 2ams n LEU 63 CO 0.35 -0.06 -0.08 0.49 -1.33 0.00 0.00 177.39 176.76 2ams n PHE 64 N -1.46 1.98 -1.84 -1.77 3.72 -0.31 -5.09 117.46 112.69 2ams n PHE 64 Ca 0.07 -3.92 -0.42 0.00 -0.05 0.00 0.00 57.45 53.14 2ams n PHE 64 Cb 0.28 -0.45 -0.02 0.00 -0.94 0.00 0.00 39.48 38.35 2ams n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ams s PRO 65 N -1.82 4.16 0.00 -1.08 0.04 -1.26 -1.82 135.00 133.23 2ams s PRO 65 Ca 0.37 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.90 2ams s PRO 65 Cb 0.14 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2ams s PRO 65 CO -0.07 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2ams n GLY 66 N 2.68 0.76 3.04 0.56 0.00 -1.26 -5.03 105.19 105.94 2ams n GLY 66 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2ams n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ams n LYS 67 N -2.36 0.91 -4.33 1.61 5.02 -0.76 -4.92 118.16 113.33 2ams n LYS 67 Ca 0.00 -3.10 -0.19 0.00 -2.02 0.00 0.00 58.31 53.00 2ams n LYS 67 Cb 0.00 0.96 -0.14 0.00 -0.02 0.00 0.00 35.03 35.83 2ams n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ams s LEU 68 N 0.00 2.11 0.47 -0.35 1.43 -0.51 -4.54 118.68 117.28 2ams s LEU 68 Ca 0.03 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 2ams s LEU 68 Cb 0.00 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.73 2ams s LEU 68 CO 0.02 0.04 0.39 0.27 0.23 0.00 0.00 176.35 177.30 2ams s ILE 69 N -0.62 2.28 -0.11 -0.59 -5.25 0.52 -0.79 121.20 116.63 2ams s ILE 69 Ca 0.01 -1.41 -0.11 0.00 -0.99 0.00 0.00 60.65 58.15 2ams s ILE 69 Cb -0.06 -2.68 -0.05 0.00 2.95 0.00 0.00 42.46 42.62 2ams s ILE 69 CO 0.00 0.00 0.24 0.21 -1.79 0.00 0.00 174.94 173.61 2ams s ASN 70 N -4.18 6.49 0.60 4.36 3.84 -1.26 -1.20 114.94 123.58 2ams s ASN 70 Ca 0.44 0.58 0.40 0.00 0.21 0.00 0.00 52.86 54.49 2ams s ASN 70 Cb -0.02 -2.14 2.13 0.00 -0.55 0.00 0.00 41.25 40.67 2ams s ASN 70 CO 0.26 0.29 2.23 -0.37 -2.79 0.00 0.00 177.10 176.71 2ams h VAL 71 N 4.16 0.00 -0.50 -5.21 -1.51 -1.32 0.38 116.25 112.24 2ams h VAL 71 Ca -0.49 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 2ams h VAL 71 Cb 1.20 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2ams h VAL 71 CO 0.65 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.58 2ams n ASN 72 N -2.95 3.00 -1.86 4.19 3.02 -1.26 -1.40 115.26 118.00 2ams n ASN 72 Ca -0.02 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 2ams n ASN 72 Cb 0.09 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2ams n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ams n GLY 73 N 1.17 0.45 3.48 7.41 0.00 0.12 -0.21 105.19 117.62 2ams n GLY 73 Ca 0.17 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 2ams n GLY 73 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ams s TRP 74 N 0.27 -0.56 0.21 1.61 -0.00 -0.40 -0.70 118.94 119.37 2ams s TRP 74 Ca 0.00 0.67 -0.11 0.00 -0.00 0.00 0.00 56.10 56.66 2ams s TRP 74 Cb 0.00 0.49 -0.00 0.00 -0.00 0.00 0.00 33.47 33.95 2ams s TRP 74 CO 0.00 -0.69 0.39 0.00 -0.00 0.00 0.00 176.95 176.66 2ams n ALA 76 N -0.31 1.77 1.12 0.00 0.00 0.11 -1.38 120.51 121.82 2ams n ALA 76 Ca -0.04 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.42 2ams n ALA 76 Cb 0.63 -1.25 0.28 0.00 0.00 0.00 0.00 19.45 19.11 2ams n ALA 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ams n SER 77 N -1.40 1.68 -4.54 0.00 7.64 -1.26 -4.94 113.62 110.79 2ams n SER 77 Ca 0.05 -1.83 -0.54 0.00 1.01 0.00 0.00 58.87 57.57 2ams n SER 77 Cb 0.15 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2ams n SER 77 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2ams n TRP 78 N 0.36 0.98 -3.78 1.43 -0.00 -0.48 -4.98 117.44 110.97 2ams n TRP 78 Ca 0.14 0.83 -0.14 0.00 -0.00 0.00 0.00 57.50 58.34 2ams n TRP 78 Cb 0.30 -2.20 -0.15 0.00 -0.00 0.00 0.00 31.31 29.27 2ams n TRP 78 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2ams s THR 79 N 0.04 -0.04 0.31 5.87 2.01 -1.26 -4.85 115.64 117.72 2ams s THR 79 Ca 0.83 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.68 2ams s THR 79 Cb -1.05 -0.15 -0.12 0.00 0.01 0.00 0.00 72.50 71.19 2ams s THR 79 CO 0.52 0.06 1.38 -0.11 -0.69 0.00 0.00 174.62 175.78 2ams n LEU 80 N 3.86 3.61 -4.57 4.42 7.94 -1.26 -0.47 117.00 130.54 2ams n LEU 80 Ca -0.23 1.18 -0.40 0.00 -1.11 0.00 0.00 56.01 55.46 2ams n LEU 80 Cb 0.53 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 2ams n LEU 80 CO 0.21 -0.36 1.64 -0.75 -1.11 0.00 0.00 177.39 177.02 2ams s LYS 81 N -1.29 2.79 0.00 1.96 2.47 -0.49 -3.88 119.74 121.30 2ams s LYS 81 Ca 0.60 0.99 0.09 0.00 -1.56 0.00 0.00 55.97 56.09 2ams s LYS 81 Cb -0.58 -4.35 0.04 0.00 -1.46 0.00 0.00 37.83 31.49 2ams s LYS 81 CO 0.57 -2.52 0.71 0.00 0.16 0.00 0.00 175.35 174.27 2ams n ALA 82 N 12.37 2.59 1.85 3.13 0.00 -1.26 -4.90 120.51 134.29 2ams n ALA 82 Ca 0.23 -0.51 0.15 0.00 0.00 0.00 0.00 53.44 53.32 2ams n ALA 82 Cb 0.51 -0.31 0.82 0.00 0.00 0.00 0.00 19.45 20.47 2ams n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91