#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ott s ALA 8 N 0.00 3.55 -0.10 0.55 0.00 -1.26 -4.93 121.76 119.57 2ott s ALA 8 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 2ott s ALA 8 Cb 0.00 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 2ott s ALA 8 CO 0.00 0.38 1.10 0.08 0.00 0.00 0.00 175.76 177.31 2ott s VAL 9 N -1.95 4.55 0.21 0.00 1.01 -1.26 -4.60 120.40 118.36 2ott s VAL 9 Ca 0.47 1.84 0.09 0.00 0.00 0.00 0.00 61.98 64.38 2ott s VAL 9 Cb -0.11 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2ott s VAL 9 CO 0.24 -0.02 -0.04 -1.83 0.00 0.00 0.00 175.10 173.45 2ott s GLU 10 N 2.27 2.22 0.25 2.72 -1.05 -0.75 -4.91 118.70 119.45 2ott s GLU 10 Ca 0.51 -1.29 0.07 0.00 -0.15 0.00 0.00 54.97 54.12 2ott s GLU 10 Cb -0.21 -2.20 -0.05 0.00 -0.44 0.00 0.00 34.13 31.23 2ott s GLU 10 CO 0.18 0.41 -0.10 -1.54 0.95 0.00 0.00 175.26 175.16 2ott s SER 11 N -3.16 2.73 0.23 0.83 1.04 -1.26 -0.86 113.70 113.26 2ott s SER 11 Ca 0.28 -1.11 -0.19 0.00 0.48 0.00 0.00 55.95 55.41 2ott s SER 11 Cb -0.08 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.90 2ott s SER 11 CO 0.18 -0.25 0.60 0.00 0.98 0.00 0.00 173.24 174.75 2ott s ARG 12 N -3.68 1.56 -0.25 4.02 1.04 0.54 -4.90 118.95 117.28 2ott s ARG 12 Ca 0.27 -0.94 -0.05 0.00 -1.04 0.00 0.00 55.73 53.96 2ott s ARG 12 Cb 0.01 0.55 -0.01 0.00 -2.04 0.00 0.00 34.95 33.47 2ott s ARG 12 CO 0.10 -0.68 0.01 -0.51 -0.04 0.00 0.00 175.30 174.17 2ott s LEU 13 N -2.90 3.25 -0.11 -1.89 1.43 -1.26 0.09 118.68 117.28 2ott s LEU 13 Ca 0.11 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2ott s LEU 13 Cb -0.03 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2ott s LEU 13 CO 0.02 -0.07 -0.03 -0.69 0.23 0.00 0.00 176.35 175.81 2ott s VAL 14 N 1.50 4.03 0.00 -1.59 1.01 -0.36 -4.68 120.40 120.31 2ott s VAL 14 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2ott s VAL 14 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2ott s VAL 14 CO -0.01 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2ott n GLY 15 N 2.70 0.72 3.88 4.51 0.00 -1.26 -0.34 105.19 115.41 2ott n GLY 15 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2ott n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ott s GLY 16 N -1.44 1.63 0.00 -0.02 0.00 -1.12 -4.95 107.32 101.42 2ott s GLY 16 Ca 0.00 -0.30 0.15 0.00 0.00 0.00 0.00 44.72 44.57 2ott s GLY 16 CO 0.00 0.03 1.45 -1.14 0.00 0.00 0.00 173.10 173.44 2ott n SER 17 N -2.90 0.00 -3.28 1.64 3.41 -1.26 -4.65 113.62 106.57 2ott n SER 17 Ca 0.06 0.16 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 2ott n SER 17 Cb 0.56 -0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 2ott n SER 17 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ott s SER 18 N -2.66 0.95 0.00 4.04 1.04 -1.26 -5.03 113.70 110.77 2ott s SER 18 Ca 0.13 -1.49 0.21 0.00 0.48 0.00 0.00 55.95 55.28 2ott s SER 18 Cb 0.10 0.65 0.96 0.00 0.10 0.00 0.00 66.02 67.84 2ott s SER 18 CO 0.24 -1.27 1.69 2.30 0.98 0.00 0.00 173.24 177.18 2ott n ILE 19 N -0.56 0.47 1.44 -1.02 -5.35 -1.26 -2.81 119.36 110.27 2ott n ILE 19 Ca 0.01 0.12 0.05 0.00 -0.27 0.00 0.00 62.75 62.66 2ott n ILE 19 Cb 0.62 -0.76 0.17 0.00 -1.74 0.00 0.00 39.64 37.93 2ott n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ott s GLU 21 N -1.78 0.35 0.00 0.00 2.02 -1.12 -0.39 118.70 117.78 2ott s GLU 21 Ca 0.16 0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.73 2ott s GLU 21 Cb 0.08 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.38 2ott s GLU 21 CO 0.12 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2ott n GLY 22 N 3.59 -1.02 3.79 -1.39 0.00 0.13 -2.80 105.19 107.49 2ott n GLY 22 Ca -0.19 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 2ott n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ott s THR 23 N -2.77 4.66 -0.08 2.61 -4.23 0.54 -0.65 115.64 115.72 2ott s THR 23 Ca 0.00 1.39 -0.30 0.00 -1.18 0.00 0.00 61.69 61.60 2ott s THR 23 Cb 0.00 -3.99 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 2ott s THR 23 CO 0.00 0.51 1.30 -0.69 -0.54 0.00 0.00 174.62 175.21 2ott s VAL 24 N -0.90 4.09 0.21 2.29 1.01 -0.38 -1.23 120.40 125.50 2ott s VAL 24 Ca 0.32 1.39 0.10 0.00 0.00 0.00 0.00 61.98 63.78 2ott s VAL 24 Cb -0.20 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2ott s VAL 24 CO 0.21 -0.06 -0.09 -1.61 0.00 0.00 0.00 175.10 173.55 2ott s GLU 25 N 2.88 2.05 0.07 2.72 2.02 0.11 -1.91 118.70 126.64 2ott s GLU 25 Ca 0.59 -1.37 -0.02 0.00 0.02 0.00 0.00 54.97 54.19 2ott s GLU 25 Cb -0.26 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 2ott s GLU 25 CO 0.21 0.40 0.01 0.14 0.02 0.00 0.00 175.26 176.04 2ott s VAL 26 N -1.95 0.19 0.23 2.63 -7.23 0.59 -0.34 120.40 114.53 2ott s VAL 26 Ca 0.27 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.51 2ott s VAL 26 Cb -0.08 -1.62 0.01 0.00 0.56 0.00 0.00 36.38 35.25 2ott s VAL 26 CO 0.16 -0.86 0.50 0.00 -0.31 0.00 0.00 175.10 174.59 2ott s ARG 27 N -3.94 1.50 -0.37 4.82 1.70 -0.04 -1.34 118.95 121.28 2ott s ARG 27 Ca 0.11 -1.12 0.00 0.00 -0.47 0.00 0.00 55.73 54.25 2ott s ARG 27 Cb 0.08 0.49 0.14 0.00 -0.57 0.00 0.00 34.95 35.08 2ott s ARG 27 CO -0.07 -0.63 0.22 -0.65 -1.08 0.00 0.00 175.30 173.08 2ott s GLN 28 N -3.97 0.73 0.00 3.89 -0.21 -1.26 -1.81 119.66 117.03 2ott s GLN 28 Ca 0.17 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 54.07 2ott s GLN 28 Cb -0.01 -1.56 0.00 0.00 1.00 0.00 0.00 33.01 32.44 2ott s GLN 28 CO 0.05 -1.19 0.00 0.41 -2.12 0.00 0.00 175.29 172.44 2ott n GLY 29 N 3.94 0.00 0.00 3.09 0.00 -1.26 -4.74 105.19 106.22 2ott n GLY 29 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2ott n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ott n ALA 30 N 0.00 0.00 -2.44 4.61 0.00 -1.26 -5.15 120.51 116.27 2ott n ALA 30 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2ott n ALA 30 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2ott n ALA 30 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2ott s GLN 31 N 0.54 3.07 0.43 0.00 -1.52 -1.26 -5.12 119.66 115.79 2ott s GLN 31 Ca 0.00 -1.05 -0.25 0.00 -1.95 0.00 0.00 55.36 52.11 2ott s GLN 31 Cb 0.00 -2.79 -0.08 0.00 -0.22 0.00 0.00 33.01 29.92 2ott s GLN 31 CO 0.00 0.04 1.28 -1.58 -0.25 0.00 0.00 175.29 174.78 2ott s TRP 32 N -2.20 2.77 0.11 0.91 0.52 -1.26 -4.55 118.94 115.24 2ott s TRP 32 Ca 0.45 1.43 -0.14 0.00 0.02 0.00 0.00 56.10 57.87 2ott s TRP 32 Cb -0.09 -3.62 0.02 0.00 -1.15 0.00 0.00 33.47 28.63 2ott s TRP 32 CO 0.31 -2.06 0.33 0.00 0.02 0.00 0.00 176.95 175.55 2ott s ALA 33 N -1.32 -0.70 0.53 0.98 0.00 -0.45 -4.94 121.76 115.86 2ott s ALA 33 Ca 0.60 -0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 2ott s ALA 33 Cb -0.36 0.61 -0.06 0.00 0.00 0.00 0.00 23.12 23.31 2ott s ALA 33 CO 0.46 -0.59 1.19 0.00 0.00 0.00 0.00 175.76 176.81 2ott s ALA 34 N -3.78 2.75 -0.04 0.00 0.00 -1.26 -0.30 121.76 119.13 2ott s ALA 34 Ca 0.03 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.68 2ott s ALA 34 Cb 0.03 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 2ott s ALA 34 CO -0.11 -0.91 0.91 -1.17 0.00 0.00 0.00 175.76 174.48 2ott s LEU 35 N -3.61 4.33 -0.15 0.00 0.20 -0.80 -0.55 118.68 118.10 2ott s LEU 35 Ca 0.71 1.51 -0.24 0.00 0.69 0.00 0.00 54.13 56.80 2ott s LEU 35 Cb -0.29 -3.44 -0.02 0.00 -0.43 0.00 0.00 46.19 42.01 2ott s LEU 35 CO 0.33 -0.26 0.76 0.00 -0.29 0.00 0.00 176.35 176.90 2ott n ASP 37 N 4.81 0.09 0.09 0.00 -0.08 0.24 -4.65 116.55 117.06 2ott n ASP 37 Ca 0.02 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 2ott n ASP 37 Cb 0.50 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.53 2ott n ASP 37 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2ott n SER 44 N -3.15 -1.67 0.06 1.67 7.64 -1.26 -4.87 113.62 112.03 2ott n SER 44 Ca 0.12 0.42 -0.00 0.00 1.01 0.00 0.00 58.87 60.41 2ott n SER 44 Cb 0.52 1.79 0.29 0.00 -1.01 0.00 0.00 64.21 65.80 2ott n SER 44 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ott h LEU 45 N 0.00 0.36 -1.10 -3.43 3.38 -2.02 -3.26 115.31 109.24 2ott h LEU 45 Ca 0.00 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.98 2ott h LEU 45 Cb 0.00 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 2ott h LEU 45 CO 0.00 0.55 0.61 -0.09 0.09 0.00 0.00 178.44 179.61 2ott h ARG 46 N 0.34 0.93 0.00 1.13 2.43 -2.02 -2.78 114.38 114.41 2ott h ARG 46 Ca 0.06 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2ott h ARG 46 Cb 0.50 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2ott h ARG 46 CO 0.03 0.62 -0.51 -1.49 -1.51 0.00 0.00 179.97 177.11 2ott h TRP 47 N 0.96 0.00 0.18 2.20 -0.00 -1.98 -3.18 115.95 114.13 2ott h TRP 47 Ca 0.46 0.00 0.01 0.00 -0.00 0.00 0.00 58.89 59.35 2ott h TRP 47 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.58 2ott h TRP 47 CO -0.00 0.51 -0.22 0.93 -0.00 0.00 0.00 178.44 179.66 2ott h GLU 48 N 0.00 -0.43 -0.51 0.49 4.39 -1.60 0.31 114.58 117.22 2ott h GLU 48 Ca -0.01 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.80 2ott h GLU 48 Cb 1.27 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.95 2ott h GLU 48 CO 0.07 -0.29 0.15 1.49 -1.16 0.00 0.00 179.01 179.26 2ott h GLU 49 N -0.45 0.29 -0.76 2.33 4.81 -1.61 0.34 114.58 119.53 2ott h GLU 49 Ca 0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2ott h GLU 49 Cb 0.43 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2ott h GLU 49 CO -0.07 0.19 0.39 0.28 -0.73 0.00 0.00 179.01 179.07 2ott h VAL 50 N 0.30 1.24 0.16 0.32 2.07 -1.48 0.46 116.25 119.32 2ott h VAL 50 Ca 0.25 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2ott h VAL 50 Cb 0.32 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2ott h VAL 50 CO -0.30 0.27 -0.08 0.00 0.02 0.00 0.00 177.57 177.49 2ott h ARG 52 N -0.71 -0.12 0.00 0.00 2.43 -0.40 -1.35 114.38 114.23 2ott h ARG 52 Ca -0.02 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2ott h ARG 52 Cb 0.50 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2ott h ARG 52 CO 0.04 -0.08 -0.08 1.49 -1.51 0.00 0.00 179.97 179.83 2ott h GLU 53 N -0.12 0.00 0.00 0.20 4.81 -0.02 0.41 114.58 119.86 2ott h GLU 53 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2ott h GLU 53 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2ott h GLU 53 CO -0.75 0.08 0.00 1.04 -0.73 0.00 0.00 179.01 178.66 2ott n GLN 54 N -3.83 0.14 -2.29 1.92 1.13 -0.56 -4.93 117.38 108.95 2ott n GLN 54 Ca -0.02 0.21 -0.15 0.00 -1.94 0.00 0.00 57.00 55.09 2ott n GLN 54 Cb 0.18 -1.70 -0.01 0.00 0.11 0.00 0.00 30.24 28.82 2ott n GLN 54 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2ott n GLN 55 N -1.95 -1.23 -2.87 -1.09 6.02 0.15 -5.00 117.38 111.40 2ott n GLN 55 Ca 0.05 0.74 -0.22 0.00 -0.01 0.00 0.00 57.00 57.57 2ott n GLN 55 Cb 0.33 -5.10 0.09 0.00 1.02 0.00 0.00 30.24 26.58 2ott n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ott n GLY 57 N -2.56 0.85 3.99 0.00 0.00 0.02 -3.99 105.19 103.50 2ott n GLY 57 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2ott n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ott s SER 58 N -1.00 5.83 0.28 1.61 1.04 -1.26 -3.79 113.70 116.40 2ott s SER 58 Ca 0.00 -0.21 -0.29 0.00 0.48 0.00 0.00 55.95 55.93 2ott s SER 58 Cb 0.00 -1.07 -0.10 0.00 0.10 0.00 0.00 66.02 64.96 2ott s SER 58 CO 0.00 -0.59 1.31 0.68 0.98 0.00 0.00 173.24 175.62 2ott s VAL 59 N -2.29 2.89 -0.56 5.02 -7.23 -1.26 -1.43 120.40 115.54 2ott s VAL 59 Ca 0.49 0.82 0.09 0.00 -1.81 0.00 0.00 61.98 61.57 2ott s VAL 59 Cb -0.10 -3.53 -0.06 0.00 0.56 0.00 0.00 36.38 33.26 2ott s VAL 59 CO 0.33 0.17 0.45 -0.46 -0.31 0.00 0.00 175.10 175.27 2ott n ASN 60 N 1.58 0.67 -3.55 4.85 2.04 -0.52 -4.82 115.26 115.51 2ott n ASN 60 Ca 0.03 -0.84 -0.08 0.00 -0.44 0.00 0.00 54.58 53.26 2ott n ASN 60 Cb 0.42 0.81 -0.03 0.00 -2.53 0.00 0.00 39.78 38.45 2ott n ASN 60 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2ott s SER 61 N -1.62 -0.29 -0.02 0.53 1.04 -1.07 -5.03 113.70 107.24 2ott s SER 61 Ca 0.05 0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.48 2ott s SER 61 Cb 0.07 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.48 2ott s SER 61 CO 0.31 -0.43 0.19 -0.72 0.98 0.00 0.00 173.24 173.57 2ott s TYR 62 N -2.39 -0.05 0.03 5.02 1.13 -1.26 -1.79 117.35 118.04 2ott s TYR 62 Ca 0.05 0.08 0.01 0.00 -1.41 0.00 0.00 57.07 55.79 2ott s TYR 62 Cb -0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 41.96 40.84 2ott s TYR 62 CO -0.05 -0.28 -0.05 -0.98 -2.51 0.00 0.00 175.55 171.68 2ott s ARG 63 N -1.10 0.39 -0.09 -3.49 1.70 -0.15 -4.96 118.95 111.24 2ott s ARG 63 Ca -0.12 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 54.22 2ott s ARG 63 Cb -0.06 -0.07 -0.02 0.00 -0.57 0.00 0.00 34.95 34.23 2ott s ARG 63 CO 0.02 -0.00 1.06 0.08 -1.08 0.00 0.00 175.30 175.38 2ott s VAL 64 N -1.32 4.64 0.07 4.99 1.01 -1.26 -0.16 120.40 128.36 2ott s VAL 64 Ca -0.12 1.92 0.04 0.00 0.00 0.00 0.00 61.98 63.81 2ott s VAL 64 Cb -0.09 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2ott s VAL 64 CO -0.00 0.00 0.01 -0.76 0.00 0.00 0.00 175.10 174.35 2ott s LEU 65 N 2.05 3.52 -0.43 3.92 1.43 -0.26 -4.80 118.68 124.11 2ott s LEU 65 Ca 0.50 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2ott s LEU 65 Cb -0.20 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2ott s LEU 65 CO 0.19 0.20 0.00 0.47 0.23 0.00 0.00 176.35 177.44 2ott n ASP 66 N 0.77 -4.11 -4.53 2.29 8.00 -1.26 -1.50 116.55 116.21 2ott n ASP 66 Ca -0.11 0.10 -0.52 0.00 0.71 0.00 0.00 54.79 54.97 2ott n ASP 66 Cb 0.52 -1.97 -0.05 0.00 -0.02 0.00 0.00 41.12 39.60 2ott n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ott n ALA 67 N 1.08 -1.95 -0.60 2.24 0.00 -1.26 -2.23 120.51 117.79 2ott n ALA 67 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2ott n ALA 67 Cb 0.24 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2ott n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ott n GLY 68 N 1.93 0.79 3.41 0.00 0.00 -1.26 -5.02 105.19 105.04 2ott n GLY 68 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 2ott n GLY 68 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ott s ASP 69 N -2.90 6.17 0.57 1.61 -1.08 -0.94 -4.96 116.67 115.13 2ott s ASP 69 Ca 0.00 -1.17 0.36 0.00 -0.52 0.00 0.00 52.55 51.22 2ott s ASP 69 Cb 0.00 -2.22 1.64 0.00 -1.46 0.00 0.00 42.92 40.88 2ott s ASP 69 CO 0.00 -0.72 2.08 1.55 0.52 0.00 0.00 175.17 178.60 2ott h PRO 70 N 8.83 0.00 -0.29 4.34 0.13 -1.95 -1.31 132.00 141.74 2ott h PRO 70 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2ott h PRO 70 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2ott h PRO 70 CO 0.90 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.92 2ott n THR 71 N -3.05 0.38 -2.88 1.56 -2.24 -1.26 -3.22 114.28 103.56 2ott n THR 71 Ca -0.00 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 2ott n THR 71 Cb 0.24 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 2ott n THR 71 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ott s SER 72 N -1.39 7.09 0.02 3.42 0.15 -0.51 -4.92 113.70 117.55 2ott s SER 72 Ca 0.33 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2ott s SER 72 Cb 0.18 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.00 2ott s SER 72 CO 0.26 -0.28 -0.03 0.00 1.20 0.00 0.00 173.24 174.38 2ott s ARG 73 N 1.45 0.27 0.00 5.44 1.70 -1.26 -1.57 118.95 124.98 2ott s ARG 73 Ca 0.42 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 2ott s ARG 73 Cb -0.18 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.22 2ott s ARG 73 CO 0.18 -0.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.79 2ott n GLY 74 N 1.96 1.66 3.37 3.88 0.00 0.37 -4.47 105.19 111.96 2ott n GLY 74 Ca -0.21 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 2ott n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ott s LEU 75 N 0.00 2.27 0.00 0.99 1.43 0.28 -1.45 118.68 122.21 2ott s LEU 75 Ca 0.00 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 2ott s LEU 75 Cb 0.00 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2ott s LEU 75 CO 0.00 0.20 -0.07 0.12 0.23 0.00 0.00 176.35 176.83 2ott s PHE 76 N -0.99 0.60 -0.21 0.29 2.19 0.71 -0.74 117.98 119.82 2ott s PHE 76 Ca 0.13 -0.15 -0.01 0.00 0.33 0.00 0.00 56.93 57.24 2ott s PHE 76 Cb -0.10 -0.38 0.06 0.00 -1.31 0.00 0.00 43.02 41.29 2ott s PHE 76 CO 0.05 -0.01 -0.03 0.00 1.83 0.00 0.00 175.22 177.06 2ott n PRO 78 N 4.82 0.05 -3.10 0.00 -0.04 -1.26 -4.73 135.00 130.75 2ott n PRO 78 Ca -0.11 0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 2ott n PRO 78 Cb 0.46 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 2ott n PRO 78 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ott s HIS 79 N -3.06 3.47 0.15 0.54 3.76 -1.26 -5.03 115.29 113.86 2ott s HIS 79 Ca 0.09 1.32 -0.26 0.00 -0.15 0.00 0.00 55.06 56.06 2ott s HIS 79 Cb 0.12 -2.59 0.01 0.00 1.11 0.00 0.00 32.58 31.23 2ott s HIS 79 CO 0.38 0.17 1.59 0.37 -0.85 0.00 0.00 174.74 176.40 2ott h GLN 80 N 2.67 -0.33 -6.01 1.40 5.75 -1.96 -3.41 115.11 113.23 2ott h GLN 80 Ca -0.48 0.02 -0.68 0.00 -0.15 0.00 0.00 58.65 57.37 2ott h GLN 80 Cb 1.18 0.07 -0.21 0.00 1.07 0.00 0.00 27.48 29.60 2ott h GLN 80 CO 0.65 -0.22 -0.72 0.15 -2.65 0.00 0.00 178.83 176.05 2ott s LYS 81 N -5.94 2.86 0.35 1.69 1.02 -1.26 -4.79 119.74 113.66 2ott s LYS 81 Ca -0.15 -0.59 0.10 0.00 0.02 0.00 0.00 55.97 55.35 2ott s LYS 81 Cb 0.12 -2.58 0.85 0.00 -0.52 0.00 0.00 37.83 35.70 2ott s LYS 81 CO 0.66 0.56 1.81 -0.07 -0.92 0.00 0.00 175.35 177.40 2ott h LEU 82 N 5.58 0.66 -2.31 3.17 4.07 -1.92 -1.70 115.31 122.86 2ott h LEU 82 Ca -0.44 0.07 0.03 0.00 0.08 0.00 0.00 57.88 57.63 2ott h LEU 82 Cb 1.17 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 2ott h LEU 82 CO 0.53 0.26 0.21 0.77 -1.08 0.00 0.00 178.44 179.12 2ott h SER 83 N 0.65 0.00 -0.59 -0.43 4.64 -1.95 -2.13 113.55 113.75 2ott h SER 83 Ca 0.53 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.59 2ott h SER 83 Cb 0.97 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.90 2ott h SER 83 CO -0.29 0.00 0.20 0.00 -0.87 0.00 0.00 176.83 175.87 2ott n GLN 84 N -3.45 2.45 -3.92 4.77 10.64 -0.64 -4.93 117.38 122.31 2ott n GLN 84 Ca 0.00 -3.08 -0.35 0.00 -1.83 0.00 0.00 57.00 51.74 2ott n GLN 84 Cb 0.30 -1.99 -0.14 0.00 -0.86 0.00 0.00 30.24 27.55 2ott n GLN 84 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ott h HIS 86 N 8.09 0.00 -2.30 0.00 3.86 -1.91 -3.43 115.15 119.45 2ott h HIS 86 Ca -0.38 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.79 2ott h HIS 86 Cb 1.14 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 29.37 2ott h HIS 86 CO 0.58 0.21 -0.17 -2.00 0.86 0.00 0.00 177.93 177.42 2ott s GLU 87 N -3.17 0.53 0.01 2.45 2.56 -1.26 -5.04 118.70 114.79 2ott s GLU 87 Ca 0.01 1.07 -0.04 0.00 0.00 0.00 0.00 54.97 56.01 2ott s GLU 87 Cb 0.08 0.20 -0.04 0.00 2.00 0.00 0.00 34.13 36.36 2ott s GLU 87 CO 0.76 -0.17 0.23 -0.51 -0.56 0.00 0.00 175.26 175.01 2ott s LEU 88 N 1.84 4.36 0.11 2.70 1.43 -1.26 -4.89 118.68 122.96 2ott s LEU 88 Ca -0.08 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2ott s LEU 88 Cb -0.08 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 2ott s LEU 88 CO -0.16 0.24 0.24 0.26 0.23 0.00 0.00 176.35 177.15 2ott s TRP 89 N -1.36 3.48 -0.06 0.29 0.51 0.15 -4.87 118.94 117.08 2ott s TRP 89 Ca 0.29 0.17 -0.20 0.00 -2.12 0.00 0.00 56.10 54.24 2ott s TRP 89 Cb -0.13 -1.70 -0.04 0.00 -0.81 0.00 0.00 33.47 30.79 2ott s TRP 89 CO 0.19 0.55 0.57 -1.21 -0.51 0.00 0.00 176.95 176.54 2ott s GLU 90 N -2.89 4.34 -0.31 4.98 2.02 -1.26 -0.21 118.70 125.37 2ott s GLU 90 Ca 0.34 0.65 0.03 0.00 0.02 0.00 0.00 54.97 56.02 2ott s GLU 90 Cb -0.12 -3.40 0.09 0.00 0.10 0.00 0.00 34.13 30.80 2ott s GLU 90 CO 0.28 0.22 0.01 0.50 0.02 0.00 0.00 175.26 176.29 2ott s ARG 91 N 0.33 1.64 0.00 1.61 3.52 -0.53 -4.92 118.95 120.60 2ott s ARG 91 Ca 0.30 -1.66 0.16 0.00 -0.13 0.00 0.00 55.73 54.41 2ott s ARG 91 Cb -0.17 -3.04 0.48 0.00 -1.56 0.00 0.00 34.95 30.67 2ott s ARG 91 CO 0.15 -0.83 1.39 0.09 -0.81 0.00 0.00 175.30 175.29 2ott n ASN 92 N 4.35 2.38 -3.53 -2.12 3.02 -1.26 -0.48 115.26 117.62 2ott n ASN 92 Ca -0.02 -1.94 -0.13 0.00 -0.03 0.00 0.00 54.58 52.47 2ott n ASN 92 Cb 0.42 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 2ott n ASN 92 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ott s SER 93 N -1.17 -0.48 -1.46 6.41 1.04 -1.20 -4.65 113.70 112.20 2ott s SER 93 Ca 0.32 0.39 -0.06 0.00 0.48 0.00 0.00 55.95 57.09 2ott s SER 93 Cb 0.17 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2ott s SER 93 CO 0.23 -0.54 0.50 -1.22 0.98 0.00 0.00 173.24 173.20 2ott n TYR 94 N 0.51 -1.84 -2.14 5.02 4.01 -0.82 -4.91 117.16 116.99 2ott n TYR 94 Ca -0.13 0.45 -0.43 0.00 -0.16 0.00 0.00 57.90 57.63 2ott n TYR 94 Cb 0.59 -3.90 -0.03 0.00 -0.31 0.00 0.00 39.34 35.70 2ott n TYR 94 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ott s LYS 96 N 4.04 4.14 0.66 0.00 1.02 -1.26 -4.69 119.74 123.65 2ott s LYS 96 Ca 0.68 0.89 0.02 0.00 0.02 0.00 0.00 55.97 57.58 2ott s LYS 96 Cb -0.28 -3.67 0.10 0.00 -0.52 0.00 0.00 37.83 33.47 2ott s LYS 96 CO 0.26 -0.57 0.91 0.15 -0.92 0.00 0.00 175.35 175.18 2ott s LYS 97 N 2.92 1.94 0.00 1.68 1.02 -0.56 0.83 119.74 127.57 2ott s LYS 97 Ca 0.35 -1.20 0.03 0.00 0.02 0.00 0.00 55.97 55.17 2ott s LYS 97 Cb -0.15 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 2ott s LYS 97 CO 0.09 -1.20 -0.10 0.08 -0.92 0.00 0.00 175.35 173.30 2ott s VAL 98 N -2.97 0.76 -0.21 3.17 1.01 -1.26 -1.10 120.40 119.81 2ott s VAL 98 Ca 0.64 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2ott s VAL 98 Cb -0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2ott s VAL 98 CO 0.42 0.15 0.02 0.12 0.00 0.00 0.00 175.10 175.80 2ott s PHE 99 N -0.36 3.06 -0.11 5.22 5.36 0.77 -1.24 117.98 130.67 2ott s PHE 99 Ca 0.02 -0.41 -0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2ott s PHE 99 Cb -0.04 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.51 2ott s PHE 99 CO -0.00 -0.23 -0.11 0.08 -1.46 0.00 0.00 175.22 173.50 2ott s VAL 100 N 1.05 3.27 -0.18 3.12 1.01 0.18 -0.98 120.40 127.87 2ott s VAL 100 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2ott s VAL 100 Cb -0.14 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.88 2ott s VAL 100 CO 0.02 0.54 -0.17 0.28 0.00 0.00 0.00 175.10 175.77 2ott s THR 101 N 0.05 2.40 0.20 3.92 -1.32 -0.74 -0.69 115.64 119.47 2ott s THR 101 Ca -0.04 -0.83 0.05 0.00 -1.21 0.00 0.00 61.69 59.66 2ott s THR 101 Cb -0.14 -2.02 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 2ott s THR 101 CO 0.04 0.52 0.21 0.00 -2.21 0.00 0.00 174.62 173.18 2ott s GLN 103 N -3.49 3.93 0.00 0.00 -2.07 -0.52 -4.77 119.66 112.74 2ott s GLN 103 Ca 0.33 0.67 0.00 0.00 -1.82 0.00 0.00 55.36 54.54 2ott s GLN 103 Cb -0.09 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.47 2ott s GLN 103 CO 0.25 0.01 0.00 -0.25 -1.32 0.00 0.00 175.29 173.98