#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rng s PRO 2 N 0.00 2.91 0.14 3.52 0.04 -1.26 -4.96 135.00 135.40 2rng s PRO 2 Ca 0.00 -1.05 -0.03 0.00 0.04 0.00 0.00 61.00 59.96 2rng s PRO 2 Cb 0.00 -5.26 -0.05 0.00 0.04 0.00 0.00 34.50 29.23 2rng s PRO 2 CO 0.00 -3.28 0.34 -1.17 0.04 0.00 0.00 177.00 172.93 2rng s LEU 3 N 8.78 4.28 0.37 -3.56 1.98 -1.26 -5.02 118.68 124.25 2rng s LEU 3 Ca 0.63 0.48 -0.23 0.00 -2.89 0.00 0.00 54.13 52.13 2rng s LEU 3 Cb -0.02 -3.21 -0.15 0.00 0.66 0.00 0.00 46.19 43.47 2rng s LEU 3 CO 0.05 0.06 0.23 -0.38 -1.89 0.00 0.00 176.35 174.42 2rng n ILE 4 N -0.03 1.04 0.00 6.68 2.08 -1.26 -4.95 119.36 122.91 2rng n ILE 4 Ca -0.03 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.78 2rng n ILE 4 Cb 0.52 -0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 2rng n ILE 4 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2rng n PRO 5 N 1.18 1.20 -0.00 0.38 -0.04 -1.26 -5.01 135.00 131.44 2rng n PRO 5 Ca 0.12 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.60 2rng n PRO 5 Cb 0.37 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.80 2rng n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rng n ALA 6 N -3.00 2.12 -0.21 0.55 0.00 -1.26 -4.67 120.51 114.04 2rng n ALA 6 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 2rng n ALA 6 Cb 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 19.45 19.44 2rng n ALA 6 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2rng h ILE 7 N 0.00 0.91 -0.17 0.00 6.09 -1.95 -0.60 117.51 121.79 2rng h ILE 7 Ca -0.02 -0.19 0.05 0.00 -1.37 0.00 0.00 64.86 63.33 2rng h ILE 7 Cb 0.34 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 37.93 2rng h ILE 7 CO 0.00 0.10 0.25 1.88 -3.07 0.00 0.00 178.15 177.31 2rng h TYR 8 N 0.56 0.00 -2.63 2.19 0.05 -1.91 -3.36 116.97 111.87 2rng h TYR 8 Ca 0.28 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.54 2rng h TYR 8 Cb 0.23 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.01 2rng h TYR 8 CO -0.11 0.00 1.04 0.42 -1.05 0.00 0.00 178.16 178.46 2rng s ILE 9 N -4.50 2.39 -1.37 -2.88 1.01 -0.23 -1.01 121.20 114.60 2rng s ILE 9 Ca -0.04 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 2rng s ILE 9 Cb 0.14 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.55 2rng s ILE 9 CO 0.49 0.00 0.27 0.61 0.00 0.00 0.00 174.94 176.31 2rng n GLY 10 N 4.06 -0.50 0.32 6.18 0.00 0.18 -4.94 105.19 110.49 2rng n GLY 10 Ca 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 2rng n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng n ALA 11 N -2.82 0.06 -3.39 4.61 0.00 -0.18 -4.93 120.51 113.86 2rng n ALA 11 Ca -0.13 -0.19 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 2rng n ALA 11 Cb 0.61 0.09 -0.09 0.00 0.00 0.00 0.00 19.45 20.06 2rng n ALA 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2rng s THR 12 N -0.45 -0.20 0.86 0.00 2.01 -1.26 -0.95 115.64 115.67 2rng s THR 12 Ca 0.02 -1.20 -0.11 0.00 0.31 0.00 0.00 61.69 60.70 2rng s THR 12 Cb -0.00 -0.79 0.15 0.00 0.01 0.00 0.00 72.50 71.87 2rng s THR 12 CO 0.01 -0.70 1.20 0.68 -0.69 0.00 0.00 174.62 175.12 2rng s VAL 13 N 1.31 2.06 0.00 3.82 -7.23 0.14 -4.68 120.40 115.83 2rng s VAL 13 Ca 0.17 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 2rng s VAL 13 Cb -0.17 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.85 2rng s VAL 13 CO -0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2rng n GLY 14 N -3.42 0.29 0.12 2.32 0.00 -1.24 -1.01 105.19 102.25 2rng n GLY 14 Ca 0.13 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 2rng n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rng h PRO 15 N 0.00 0.30 -0.20 1.61 0.13 -1.77 -1.98 132.00 130.09 2rng h PRO 15 Ca 0.00 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2rng h PRO 15 Cb 0.00 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 2rng h PRO 15 CO 0.00 0.83 0.08 0.77 -0.23 0.00 0.00 178.00 179.45 2rng h SER 16 N -0.18 0.27 0.15 1.44 0.02 -1.94 -2.74 113.55 110.58 2rng h SER 16 Ca -0.01 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2rng h SER 16 Cb 0.84 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 2rng h SER 16 CO 0.05 0.36 -0.09 0.58 -1.14 0.00 0.00 176.83 176.58 2rng h VAL 17 N 0.17 0.80 -0.19 2.27 2.07 -1.92 -2.65 116.25 116.80 2rng h VAL 17 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2rng h VAL 17 Cb 0.17 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2rng h VAL 17 CO -0.01 0.00 -0.19 -0.25 0.02 0.00 0.00 177.57 177.14 2rng h TRP 18 N -0.24 -0.59 -1.02 1.57 2.91 -1.26 0.31 115.95 117.62 2rng h TRP 18 Ca -0.01 0.03 0.37 0.00 1.13 0.00 0.00 58.89 60.41 2rng h TRP 18 Cb 0.20 0.28 -0.16 0.00 -0.51 0.00 0.00 29.16 28.97 2rng h TRP 18 CO -0.08 -0.16 0.57 0.00 -1.03 0.00 0.00 178.44 177.74 2rng h ALA 19 N -0.78 2.09 0.50 2.65 0.00 -1.43 -1.10 119.26 121.18 2rng h ALA 19 Ca 0.03 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2rng h ALA 19 Cb 0.19 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2rng h ALA 19 CO -0.23 -0.77 -0.24 -0.92 0.00 0.00 0.00 179.25 177.09 2rng h TYR 20 N 0.18 -0.62 -0.84 0.00 5.03 -0.06 -2.72 116.97 117.95 2rng h TYR 20 Ca 0.79 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 62.23 2rng h TYR 20 Cb 1.96 0.21 -0.15 0.00 1.55 0.00 0.00 36.73 40.29 2rng h TYR 20 CO -0.01 -0.39 -0.29 1.25 -1.32 0.00 0.00 178.16 177.41 2rng h LEU 21 N -0.74 -1.05 -0.58 2.82 6.46 -0.01 0.22 115.31 122.43 2rng h LEU 21 Ca -0.07 0.27 0.12 0.00 -0.12 0.00 0.00 57.88 58.07 2rng h LEU 21 Cb 0.51 0.60 -0.11 0.00 -0.73 0.00 0.00 40.66 40.93 2rng h LEU 21 CO 0.11 -0.29 -0.19 0.58 -0.62 0.00 0.00 178.44 178.03 2rng h VAL 22 N -0.04 0.35 -0.65 1.05 2.07 -1.34 0.11 116.25 117.80 2rng h VAL 22 Ca 0.36 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.00 2rng h VAL 22 Cb 0.60 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 2rng h VAL 22 CO -0.87 0.00 0.14 0.00 0.02 0.00 0.00 177.57 176.86 2rng h ALA 23 N 1.46 0.78 -0.86 1.67 0.00 -0.23 0.12 119.26 122.20 2rng h ALA 23 Ca 0.27 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2rng h ALA 23 Cb 0.47 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2rng h ALA 23 CO -0.62 -0.32 0.54 1.25 0.00 0.00 0.00 179.25 180.09 2rng h LEU 24 N 0.26 1.02 0.00 0.00 5.85 -0.49 -3.43 115.31 118.52 2rng h LEU 24 Ca 0.35 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2rng h LEU 24 Cb 0.55 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2rng h LEU 24 CO -0.45 0.77 0.00 0.55 -0.34 0.00 0.00 178.44 178.97 2rng n VAL 25 N -4.38 0.00 0.00 1.05 3.14 0.23 -5.01 118.33 113.36 2rng n VAL 25 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2rng n VAL 25 Cb 0.05 -0.02 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 2rng n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2rng n GLY 26 N 3.23 0.62 0.28 7.55 0.00 -0.06 -4.95 105.19 111.87 2rng n GLY 26 Ca 0.00 -0.94 0.19 0.00 0.00 0.00 0.00 46.02 45.27 2rng n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng h ALA 27 N 0.00 1.00 0.28 4.61 0.00 -1.95 -1.75 119.26 121.45 2rng h ALA 27 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rng h ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rng h ALA 27 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.11 2rng h ALA 28 N 2.02 -0.50 0.00 0.00 0.00 -1.97 -1.78 119.26 117.02 2rng h ALA 28 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2rng h ALA 28 Cb 0.26 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2rng h ALA 28 CO 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 179.25 178.75 2rng h ALA 29 N -1.42 1.14 -0.04 0.00 0.00 -1.93 -1.18 119.26 115.83 2rng h ALA 29 Ca -0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2rng h ALA 29 Cb 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2rng h ALA 29 CO 0.06 0.03 -0.75 0.28 0.00 0.00 0.00 179.25 178.88 2rng h VAL 30 N 0.00 1.42 0.00 0.00 2.07 -1.30 -2.16 116.25 116.29 2rng h VAL 30 Ca -0.00 -2.27 -0.18 0.00 0.82 0.00 0.00 66.70 65.07 2rng h VAL 30 Cb 0.16 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 2rng h VAL 30 CO 0.00 0.67 -1.12 0.74 0.02 0.00 0.00 177.57 177.89 2rng h THR 31 N 0.18 0.89 0.00 2.57 2.02 -0.34 -3.29 112.91 114.94 2rng h THR 31 Ca -0.03 -2.44 -0.11 0.00 0.77 0.00 0.00 66.41 64.60 2rng h THR 31 Cb 1.32 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 70.07 2rng h THR 31 CO 0.12 0.50 -0.53 0.00 0.37 0.00 0.00 175.52 175.98 2rng h ALA 32 N 1.30 0.71 -0.02 6.16 0.00 -1.25 -3.01 119.26 123.14 2rng h ALA 32 Ca -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2rng h ALA 32 Cb 1.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2rng h ALA 32 CO 0.07 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2rng n ALA 33 N -2.26 2.61 -2.94 0.00 0.00 -0.81 -4.94 120.51 112.17 2rng n ALA 33 Ca 0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 2rng n ALA 33 Cb 0.70 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.85 2rng n ALA 33 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2rng n ASN 34 N -0.67 -7.77 -4.28 0.00 4.05 -1.14 -1.52 115.26 103.93 2rng n ASN 34 Ca 0.16 0.37 -0.29 0.00 0.45 0.00 0.00 54.58 55.27 2rng n ASN 34 Cb 0.11 -5.15 -0.16 0.00 1.23 0.00 0.00 39.78 35.82 2rng n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2rng s ILE 35 N -2.63 1.92 0.18 -1.44 1.01 -1.24 0.51 121.20 119.51 2rng s ILE 35 Ca 0.21 -1.08 0.10 0.00 0.00 0.00 0.00 60.65 59.88 2rng s ILE 35 Cb -0.05 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 2rng s ILE 35 CO 0.77 0.50 -0.18 -0.13 0.00 0.00 0.00 174.94 175.91 2rng s ARG 36 N -0.68 1.75 -0.12 2.79 0.52 -0.12 -4.95 118.95 118.14 2rng s ARG 36 Ca 0.09 -1.39 -0.02 0.00 -0.52 0.00 0.00 55.73 53.89 2rng s ARG 36 Cb -0.09 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.36 2rng s ARG 36 CO -0.00 0.42 -0.04 1.03 0.02 0.00 0.00 175.30 176.73 2rng s ARG 37 N -2.67 3.32 0.47 3.54 0.52 -1.25 0.25 118.95 123.13 2rng s ARG 37 Ca 0.22 -0.51 0.07 0.00 -0.52 0.00 0.00 55.73 54.99 2rng s ARG 37 Cb -0.09 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.58 2rng s ARG 37 CO 0.12 0.43 0.36 0.00 0.02 0.00 0.00 175.30 176.23 2rng s ALA 38 N -0.16 4.14 0.57 2.13 0.00 -0.18 -4.96 121.76 123.31 2rng s ALA 38 Ca 0.03 -1.67 0.31 0.00 0.00 0.00 0.00 51.96 50.63 2rng s ALA 38 Cb -0.13 -0.77 1.43 0.00 0.00 0.00 0.00 23.12 23.65 2rng s ALA 38 CO 0.02 -0.32 1.80 0.66 0.00 0.00 0.00 175.76 177.93 2rng h SER 39 N 0.97 0.00 -0.37 0.00 4.64 -1.91 -3.33 113.55 113.55 2rng h SER 39 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2rng h SER 39 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2rng h SER 39 CO 0.60 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.36 2rng n SER 40 N -3.86 0.00 0.01 4.97 7.64 -1.26 -4.73 113.62 116.39 2rng n SER 40 Ca 0.16 -0.61 0.04 0.00 1.01 0.00 0.00 58.87 59.48 2rng n SER 40 Cb 0.97 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 64.36 2rng n SER 40 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2rng n ASP 41 N -0.37 0.02 -4.43 6.43 8.00 -1.26 -3.67 116.55 121.27 2rng n ASP 41 Ca 0.00 0.51 -0.44 0.00 0.71 0.00 0.00 54.79 55.57 2rng n ASP 41 Cb 0.00 -0.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.52 2rng n ASP 41 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2rng s ASN 42 N -3.04 6.20 0.35 -2.24 0.01 -1.26 -4.53 114.94 110.42 2rng s ASN 42 Ca 0.04 -1.04 0.01 0.00 -0.71 0.00 0.00 52.86 51.16 2rng s ASN 42 Cb 0.06 -2.25 -0.00 0.00 0.41 0.00 0.00 41.25 39.46 2rng s ASN 42 CO 0.16 -0.79 0.43 0.00 -1.51 0.00 0.00 177.10 175.38 2rng n HIS 43 N 5.81 -1.25 -3.45 2.20 1.44 -1.26 -4.74 115.22 113.97 2rng n HIS 43 Ca -0.09 -2.55 -0.33 0.00 -2.01 0.00 0.00 57.72 52.74 2rng n HIS 43 Cb 0.45 0.48 -0.05 0.00 0.12 0.00 0.00 29.99 30.98 2rng n HIS 43 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2rng s SER 44 N -3.27 6.66 0.25 4.39 0.15 -1.26 -0.40 113.70 120.21 2rng s SER 44 Ca 0.33 0.90 0.05 0.00 0.70 0.00 0.00 55.95 57.93 2rng s SER 44 Cb 0.00 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 2rng s SER 44 CO 0.24 0.01 0.24 0.00 1.20 0.00 0.00 173.24 174.92 2rng n ALA 46 N -1.27 -1.51 -0.32 0.00 0.00 -1.26 -2.42 120.51 113.72 2rng n ALA 46 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2rng n ALA 46 Cb 0.45 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.32 2rng n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rng n GLY 47 N -1.63 -0.83 1.73 0.00 0.00 -1.26 -3.45 105.19 99.74 2rng n GLY 47 Ca -0.05 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 2rng n GLY 47 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2rng n ASN 48 N -0.88 5.79 -0.00 1.61 6.94 -1.26 -3.82 115.26 123.63 2rng n ASN 48 Ca 0.00 -2.68 -0.00 0.00 -0.02 0.00 0.00 54.58 51.87 2rng n ASN 48 Cb 0.00 -1.13 -0.00 0.00 -2.36 0.00 0.00 39.78 36.28 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2rng n ARG 49 N 1.16 3.45 -4.30 -3.83 1.74 -1.22 -5.06 116.66 108.59 2rng n ARG 49 Ca 0.16 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.01 2rng n ARG 49 Cb 0.56 -1.02 -0.08 0.00 -1.02 0.00 0.00 32.46 30.91 2rng n ARG 49 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2rng s GLY 50 N -3.19 1.69 0.19 -0.13 0.00 -1.02 -4.39 107.32 100.46 2rng s GLY 50 Ca -0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.08 2rng s GLY 50 CO 0.02 -1.68 0.12 -0.98 0.00 0.00 0.00 173.10 170.58 2rng s TRP 51 N -2.20 1.10 -0.26 1.90 0.23 -0.79 -1.65 118.94 117.28 2rng s TRP 51 Ca 0.30 -1.35 -0.04 0.00 -2.03 0.00 0.00 56.10 52.99 2rng s TRP 51 Cb -0.07 -0.54 0.01 0.00 0.03 0.00 0.00 33.47 32.91 2rng s TRP 51 CO 0.19 -0.62 -0.01 0.00 0.96 0.00 0.00 176.95 177.47 2rng s ARG 53 N 1.41 1.08 0.21 0.00 3.00 -0.91 -4.35 118.95 119.39 2rng s ARG 53 Ca 0.02 -1.48 -0.09 0.00 0.00 0.00 0.00 55.73 54.18 2rng s ARG 53 Cb -0.16 -0.53 0.31 0.00 0.00 0.00 0.00 34.95 34.57 2rng s ARG 53 CO -0.02 0.01 1.72 0.66 0.00 0.00 0.00 175.30 177.67 2rng h SER 54 N 2.75 0.12 -4.61 0.23 4.64 -1.95 -2.76 113.55 111.96 2rng h SER 54 Ca -0.37 0.10 -0.26 0.00 -0.47 0.00 0.00 61.79 60.79 2rng h SER 54 Cb 1.19 0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 2rng h SER 54 CO 0.64 0.07 -0.67 -0.75 -0.87 0.00 0.00 176.83 175.24 2rng s LYS 55 N -6.09 1.02 0.42 4.77 2.20 -1.26 -4.46 119.74 116.33 2rng s LYS 55 Ca -0.13 -1.47 0.08 0.00 -0.36 0.00 0.00 55.97 54.09 2rng s LYS 55 Cb 0.18 -0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.28 2rng s LYS 55 CO 0.74 -0.11 0.47 0.00 -0.36 0.00 0.00 175.35 176.10 2rng n PHE 57 N -1.70 -3.39 0.04 0.00 3.01 -1.26 -4.97 117.46 109.19 2rng n PHE 57 Ca 0.06 -1.39 -0.17 0.00 1.01 0.00 0.00 57.45 56.96 2rng n PHE 57 Cb 0.61 -0.77 -0.07 0.00 -0.01 0.00 0.00 39.48 39.23 2rng n PHE 57 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2rng h ARG 58 N 0.00 0.62 0.00 -1.08 2.43 -2.00 -2.92 114.38 111.43 2rng h ARG 58 Ca -0.34 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.21 2rng h ARG 58 Cb 1.10 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2rng h ARG 58 CO 0.30 1.23 0.00 1.58 -1.51 0.00 0.00 179.97 181.57 2rng n HIS 59 N -3.84 0.00 -4.46 2.20 -0.00 -1.26 -4.78 115.22 103.08 2rng n HIS 59 Ca -0.09 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.86 2rng n HIS 59 Cb 0.83 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.62 2rng n HIS 59 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2rng s GLU 60 N -2.00 1.87 0.00 1.57 2.02 -1.10 -4.54 118.70 116.52 2rng s GLU 60 Ca 0.32 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 53.19 2rng s GLU 60 Cb 0.15 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.99 2rng s GLU 60 CO 0.25 -0.51 0.00 2.48 0.02 0.00 0.00 175.26 177.50 2rng n TYR 61 N -0.83 0.00 -3.46 1.61 4.11 -0.93 -4.50 117.16 113.17 2rng n TYR 61 Ca -0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.44 2rng n TYR 61 Cb 0.64 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.94 2rng n TYR 61 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2rng s VAL 62 N -1.82 5.02 -0.96 -3.48 1.01 -1.26 -2.14 120.40 116.77 2rng s VAL 62 Ca 0.00 -2.69 -0.18 0.00 0.00 0.00 0.00 61.98 59.11 2rng s VAL 62 Cb 0.00 -4.14 -0.27 0.00 0.00 0.00 0.00 36.38 31.97 2rng s VAL 62 CO 0.00 -0.99 2.35 -0.67 0.00 0.00 0.00 175.10 175.79 2rng n ASP 63 N 3.74 -0.49 0.02 3.32 -0.08 0.36 -4.69 116.55 118.73 2rng n ASP 63 Ca 0.13 -0.41 0.09 0.00 -1.51 0.00 0.00 54.79 53.09 2rng n ASP 63 Cb 0.44 -0.79 0.52 0.00 2.34 0.00 0.00 41.12 43.62 2rng n ASP 63 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2rng h THR 64 N 7.39 0.97 -0.30 5.18 1.35 -1.94 0.25 112.91 125.81 2rng h THR 64 Ca -0.00 -0.12 -0.05 0.00 -0.55 0.00 0.00 66.41 65.69 2rng h THR 64 Cb 1.18 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 2rng h THR 64 CO 1.48 0.06 -0.02 0.22 -0.25 0.00 0.00 175.52 177.01 2rng h TYR 65 N 0.34 0.60 -0.01 4.73 5.03 -1.94 -3.02 116.97 122.70 2rng h TYR 65 Ca 0.18 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2rng h TYR 65 Cb 0.28 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.41 2rng h TYR 65 CO -0.00 0.70 -0.27 0.66 -1.32 0.00 0.00 178.16 177.93 2rng n TYR 66 N -4.54 0.00 0.20 -3.82 4.01 -0.88 -3.91 117.16 108.22 2rng n TYR 66 Ca -0.03 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.88 2rng n TYR 66 Cb 0.28 -0.16 0.67 0.00 -0.31 0.00 0.00 39.34 39.81 2rng n TYR 66 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rng h SER 67 N 0.86 0.00 0.11 7.72 0.87 -0.39 -2.27 113.55 120.44 2rng h SER 67 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2rng h SER 67 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2rng h SER 67 CO 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 176.83 176.25 2rng h ALA 68 N 1.17 -0.51 -1.24 6.23 0.00 -1.76 -2.74 119.26 120.42 2rng h ALA 68 Ca 0.11 -0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.35 2rng h ALA 68 Cb 1.17 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2rng h ALA 68 CO -0.00 -0.50 1.04 -0.24 0.00 0.00 0.00 179.25 179.55 2rng h VAL 69 N -0.26 0.19 0.47 0.00 3.04 -1.70 -0.58 116.25 117.40 2rng h VAL 69 Ca -0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.65 2rng h VAL 69 Cb 0.11 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 2rng h VAL 69 CO 0.02 0.00 -0.22 0.00 -1.01 0.00 0.00 177.57 176.36 2rng n GLY 71 N -0.30 0.88 0.21 0.00 0.00 -0.23 -4.39 105.19 101.36 2rng n GLY 71 Ca -0.08 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 2rng n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rng h ARG 72 N 0.00 0.39 -7.41 1.61 3.08 -1.89 -3.44 114.38 106.72 2rng h ARG 72 Ca 0.00 -0.19 -0.46 0.00 0.07 0.00 0.00 59.98 59.40 2rng h ARG 72 Cb 0.00 -0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.17 2rng h ARG 72 CO 0.00 0.73 0.23 0.71 -1.07 0.00 0.00 179.97 180.57 2rng s TYR 73 N -4.21 1.27 -0.10 3.04 1.51 -1.26 -5.02 117.35 112.58 2rng s TYR 73 Ca -0.06 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 2rng s TYR 73 Cb 0.13 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 2rng s TYR 73 CO 0.79 -2.22 -0.21 -0.06 -1.11 0.00 0.00 175.55 172.74 2rng s PHE 74 N -3.47 2.33 -0.74 2.71 0.40 -1.04 -4.74 117.98 113.42 2rng s PHE 74 Ca 0.71 -0.96 -0.27 0.00 -0.60 0.00 0.00 56.93 55.81 2rng s PHE 74 Cb -0.03 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 41.94 2rng s PHE 74 CO 0.48 -0.41 1.32 0.00 0.70 0.00 0.00 175.22 177.32 2rng s ARG 77 N -5.27 1.81 -0.81 0.00 0.52 -0.91 -1.88 118.95 112.41 2rng s ARG 77 Ca 0.58 -1.67 -0.10 0.00 -0.52 0.00 0.00 55.73 54.02 2rng s ARG 77 Cb -0.12 0.44 0.21 0.00 0.52 0.00 0.00 34.95 36.00 2rng s ARG 77 CO 0.53 -0.74 0.72 0.45 0.02 0.00 0.00 175.30 176.28 2rng s SER 78 N -3.20 6.37 0.00 0.23 0.15 -1.26 -2.19 113.70 113.80 2rng s SER 78 Ca 0.30 -2.90 0.19 0.00 0.70 0.00 0.00 55.95 54.24 2rng s SER 78 Cb 0.00 -2.10 1.16 0.00 -1.71 0.00 0.00 66.02 63.37 2rng s SER 78 CO 0.18 -0.46 1.55 -1.14 1.20 0.00 0.00 173.24 174.57