#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 2.86 0.31 1.20 0.04 -1.26 -4.96 135.00 133.19 2rng s PRO 2 Ca 0.00 -0.22 -0.28 0.00 0.04 0.00 0.00 61.00 60.54 2rng s PRO 2 Cb 0.00 -4.84 -0.13 0.00 0.04 0.00 0.00 34.50 29.56 2rng s PRO 2 CO 0.00 -2.83 1.15 -0.11 0.04 0.00 0.00 177.00 175.24 2rng n LEU 3 N 12.09 2.58 -4.69 -3.56 0.00 -1.26 -4.87 117.00 117.30 2rng n LEU 3 Ca 0.29 1.19 -0.39 0.00 0.00 0.00 0.00 56.01 57.11 2rng n LEU 3 Cb 0.49 -1.38 0.04 0.00 0.00 0.00 0.00 43.42 42.58 2rng n LEU 3 CO 0.65 -0.98 0.81 -0.38 0.00 0.00 0.00 177.39 177.49 2rng n ILE 4 N 0.36 3.74 -1.64 1.96 2.08 -1.26 -4.97 119.36 119.62 2rng n ILE 4 Ca 0.08 -0.50 -0.30 0.00 0.56 0.00 0.00 62.75 62.59 2rng n ILE 4 Cb 0.33 -1.44 0.08 0.00 -0.75 0.00 0.00 39.64 37.86 2rng n ILE 4 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2rng s PRO 5 N -2.79 2.36 0.40 0.38 0.04 -1.26 -4.97 135.00 129.16 2rng s PRO 5 Ca 0.73 0.61 0.21 0.00 0.04 0.00 0.00 61.00 62.60 2rng s PRO 5 Cb -0.43 -1.95 0.27 0.00 0.04 0.00 0.00 34.50 32.43 2rng s PRO 5 CO 0.49 -1.42 1.54 0.00 0.04 0.00 0.00 177.00 177.65 2rng h ALA 6 N -0.94 0.91 0.16 8.56 0.00 -1.95 -3.35 119.26 122.65 2rng h ALA 6 Ca -0.46 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.37 2rng h ALA 6 Cb 1.26 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2rng h ALA 6 CO 0.60 0.12 -0.36 0.97 0.00 0.00 0.00 179.25 180.58 2rng h ILE 7 N 0.00 0.24 -0.71 0.00 6.09 -1.93 0.26 117.51 121.47 2rng h ILE 7 Ca -0.00 0.00 0.21 0.00 -1.37 0.00 0.00 64.86 63.69 2rng h ILE 7 Cb 1.08 0.24 -0.03 0.00 0.47 0.00 0.00 36.82 38.58 2rng h ILE 7 CO 0.01 0.00 0.78 1.88 -3.07 0.00 0.00 178.15 177.75 2rng h TYR 8 N -0.62 0.00 -2.86 2.19 0.05 -1.91 -3.30 116.97 110.52 2rng h TYR 8 Ca 0.02 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.26 2rng h TYR 8 Cb 0.63 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.38 2rng h TYR 8 CO -0.30 0.00 0.87 0.42 -1.05 0.00 0.00 178.16 178.09 2rng s ILE 9 N -4.56 3.52 -1.72 -2.88 1.01 0.08 -1.94 121.20 114.71 2rng s ILE 9 Ca -0.04 0.94 -0.01 0.00 0.00 0.00 0.00 60.65 61.54 2rng s ILE 9 Cb 0.15 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2rng s ILE 9 CO 0.53 0.00 0.17 0.61 0.00 0.00 0.00 174.94 176.25 2rng n GLY 10 N 3.72 -0.50 0.00 6.18 0.00 0.14 -4.96 105.19 109.77 2rng n GLY 10 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.43 0.00 -3.23 4.61 0.00 -0.82 -4.91 120.51 113.73 2rng n ALA 11 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 2rng n ALA 11 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 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 0.89 -0.83 0.42 0.00 2.01 -1.26 -2.03 115.64 114.84 2rng s THR 12 Ca 0.00 -0.09 0.07 0.00 0.31 0.00 0.00 61.69 61.97 2rng s THR 12 Cb 0.00 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.56 2rng s THR 12 CO 0.00 -0.10 0.58 0.68 -0.69 0.00 0.00 174.62 175.09 2rng s VAL 13 N 2.71 3.16 0.00 3.82 -7.23 0.21 -4.76 120.40 118.30 2rng s VAL 13 Ca 0.13 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 2rng s VAL 13 Cb -0.13 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2rng s VAL 13 CO -0.24 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 2rng n GLY 14 N -1.88 -1.21 0.12 2.32 0.00 -1.19 -0.49 105.19 102.86 2rng n GLY 14 Ca 0.07 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 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 0.31 0.19 1.61 0.13 -1.77 -2.22 132.00 130.25 2rng h PRO 15 Ca 0.00 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2rng h PRO 15 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2rng h PRO 15 CO 0.00 0.91 -0.09 0.77 -0.23 0.00 0.00 178.00 179.36 2rng h SER 16 N -0.21 -0.21 -0.89 1.44 0.02 -1.93 -2.66 113.55 109.11 2rng h SER 16 Ca -0.02 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 2rng h SER 16 Cb 0.98 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 2rng h SER 16 CO 0.07 0.06 0.56 0.58 -1.14 0.00 0.00 176.83 176.96 2rng h VAL 17 N -0.50 1.08 0.13 2.27 2.07 -1.93 -2.42 116.25 116.96 2rng h VAL 17 Ca -0.03 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2rng h VAL 17 Cb 0.38 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2rng h VAL 17 CO 0.04 0.19 -0.16 -0.25 0.02 0.00 0.00 177.57 177.41 2rng h TRP 18 N 1.04 -0.45 -1.35 1.57 2.91 -1.28 -1.13 115.95 117.27 2rng h TRP 18 Ca 0.38 0.01 0.41 0.00 1.13 0.00 0.00 58.89 60.81 2rng h TRP 18 Cb 0.12 0.18 -0.10 0.00 -0.51 0.00 0.00 29.16 28.85 2rng h TRP 18 CO -0.02 -0.21 0.91 0.00 -1.03 0.00 0.00 178.44 178.09 2rng h ALA 19 N -1.44 2.89 0.33 2.65 0.00 -1.34 -1.39 119.26 120.97 2rng h ALA 19 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2rng h ALA 19 Cb 0.27 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2rng h ALA 19 CO -0.03 -1.41 -0.16 -0.92 0.00 0.00 0.00 179.25 176.72 2rng h TYR 20 N 0.12 -0.42 -1.22 0.00 3.20 -0.74 -2.48 116.97 115.43 2rng h TYR 20 Ca 0.75 -0.01 0.37 0.00 3.14 0.00 0.00 58.73 62.98 2rng h TYR 20 Cb 2.50 0.14 -0.11 0.00 1.54 0.00 0.00 36.73 40.80 2rng h TYR 20 CO -0.00 -0.26 0.79 1.25 -1.64 0.00 0.00 178.16 178.30 2rng h LEU 21 N -0.56 0.30 -0.17 2.82 6.46 -0.32 0.45 115.31 124.30 2rng h LEU 21 Ca -0.05 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2rng h LEU 21 Cb 0.34 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 2rng h LEU 21 CO 0.08 -0.08 0.10 0.58 -0.62 0.00 0.00 178.44 178.49 2rng h VAL 22 N 0.19 1.08 -0.84 1.05 2.07 -1.20 -2.18 116.25 116.42 2rng h VAL 22 Ca 0.73 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 68.15 2rng h VAL 22 Cb 2.20 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.81 2rng h VAL 22 CO -0.36 0.07 0.49 0.00 0.02 0.00 0.00 177.57 177.79 2rng h ALA 23 N 1.02 1.19 -0.68 1.67 0.00 0.37 -0.53 119.26 122.30 2rng h ALA 23 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2rng h ALA 23 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2rng h ALA 23 CO -0.01 0.13 0.42 1.25 0.00 0.00 0.00 179.25 181.03 2rng h LEU 24 N 0.82 0.81 0.00 0.00 5.85 -1.10 -3.43 115.31 118.26 2rng h LEU 24 Ca 0.40 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2rng h LEU 24 Cb 0.34 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2rng h LEU 24 CO -0.24 0.62 0.00 0.55 -0.34 0.00 0.00 178.44 179.03 2rng n VAL 25 N -4.57 0.00 0.00 1.05 3.14 -0.56 -5.07 118.33 112.32 2rng n VAL 25 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2rng n VAL 25 Cb 0.05 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 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 4.46 0.88 0.31 7.55 0.00 -0.32 -4.97 105.19 113.10 2rng n GLY 26 Ca 0.00 -0.81 0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 0.26 4.61 0.00 -1.94 -1.23 119.26 121.96 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 -0.13 0.00 0.00 0.00 0.00 179.25 179.12 2rng h ALA 28 N 2.00 -0.47 0.00 0.00 0.00 -1.97 -1.94 119.26 116.88 2rng h ALA 28 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rng h ALA 28 Cb 0.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2rng h ALA 28 CO 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.80 2rng h ALA 29 N -1.41 1.00 -0.00 0.00 0.00 -1.92 -0.90 119.26 116.04 2rng h ALA 29 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2rng h ALA 29 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2rng h ALA 29 CO 0.06 0.00 -0.84 0.28 0.00 0.00 0.00 179.25 178.75 2rng h VAL 30 N 0.00 1.51 0.00 0.00 2.07 -1.21 -2.16 116.25 116.46 2rng h VAL 30 Ca 0.00 -2.61 -0.09 0.00 0.82 0.00 0.00 66.70 64.82 2rng h VAL 30 Cb 0.17 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 2rng h VAL 30 CO 0.00 0.76 -1.17 0.74 0.02 0.00 0.00 177.57 177.92 2rng h THR 31 N 0.08 0.29 0.00 2.57 2.02 -0.42 -3.30 112.91 114.15 2rng h THR 31 Ca -0.03 -1.56 -0.12 0.00 0.77 0.00 0.00 66.41 65.47 2rng h THR 31 Cb 1.46 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.67 2rng h THR 31 CO 0.12 0.17 -0.76 0.00 0.37 0.00 0.00 175.52 175.42 2rng h ALA 32 N 1.68 0.67 -0.03 6.16 0.00 -1.23 -3.22 119.26 123.29 2rng h ALA 32 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2rng h ALA 32 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2rng h ALA 32 CO 0.03 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.94 2rng n ALA 33 N -2.27 2.52 -2.99 0.00 0.00 -0.81 -4.92 120.51 112.04 2rng n ALA 33 Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 2rng n ALA 33 Cb 0.75 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.46 -7.78 -4.09 0.00 2.85 -1.21 -1.42 115.26 103.15 2rng n ASN 34 Ca 0.05 0.19 -0.28 0.00 -0.11 0.00 0.00 54.58 54.43 2rng n ASN 34 Cb 0.05 -5.21 -0.17 0.00 1.24 0.00 0.00 39.78 35.69 2rng n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2rng s ILE 35 N -2.79 1.51 0.03 -1.44 1.01 -1.24 0.23 121.20 118.51 2rng s ILE 35 Ca 0.12 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2rng s ILE 35 Cb -0.03 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2rng s ILE 35 CO 0.76 0.44 -0.04 -0.13 0.00 0.00 0.00 174.94 175.97 2rng s ARG 36 N 0.69 2.55 0.17 2.79 1.81 -0.86 -4.92 118.95 121.18 2rng s ARG 36 Ca -0.13 -0.76 -0.08 0.00 -1.72 0.00 0.00 55.73 53.04 2rng s ARG 36 Cb -0.16 -2.52 -0.06 0.00 -0.45 0.00 0.00 34.95 31.75 2rng s ARG 36 CO 0.03 0.58 0.47 1.03 -0.68 0.00 0.00 175.30 176.74 2rng s ARG 37 N -1.75 3.75 0.42 3.54 0.52 -1.25 -0.62 118.95 123.56 2rng s ARG 37 Ca 0.20 0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.61 2rng s ARG 37 Cb -0.11 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 2rng s ARG 37 CO 0.11 0.41 0.04 0.00 0.02 0.00 0.00 175.30 175.89 2rng s ALA 38 N -1.68 3.18 0.37 2.13 0.00 0.36 -4.89 121.76 121.23 2rng s ALA 38 Ca 0.42 -1.53 0.13 0.00 0.00 0.00 0.00 51.96 50.98 2rng s ALA 38 Cb -0.12 0.36 0.96 0.00 0.00 0.00 0.00 23.12 24.31 2rng s ALA 38 CO 0.22 -0.18 1.81 1.03 0.00 0.00 0.00 175.76 178.64 2rng h SER 39 N 1.75 0.56 -0.27 0.00 0.87 -1.90 -3.28 113.55 111.28 2rng h SER 39 Ca -0.42 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2rng h SER 39 Cb 1.27 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2rng h SER 39 CO 0.72 0.20 0.00 -1.20 -0.53 0.00 0.00 176.83 176.02 2rng n SER 40 N -4.62 0.00 0.25 6.23 7.64 -1.26 -4.60 113.62 117.26 2rng n SER 40 Ca 0.22 -0.29 0.17 0.00 1.01 0.00 0.00 58.87 59.98 2rng n SER 40 Cb 0.68 0.00 0.75 0.00 -1.01 0.00 0.00 64.21 64.62 2rng n SER 40 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rng h ASP 41 N 0.00 0.00 -2.73 6.43 5.19 -1.88 -3.16 116.42 120.27 2rng h ASP 41 Ca 0.00 0.00 -0.70 0.00 -0.62 0.00 0.00 57.03 55.71 2rng h ASP 41 Cb 0.00 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 39.32 2rng h ASP 41 CO 0.00 0.00 0.60 0.21 -3.12 0.00 0.00 179.24 176.93 2rng s ASN 42 N -5.18 6.55 0.39 6.45 2.47 -1.26 -4.51 114.94 119.86 2rng s ASN 42 Ca 0.00 -1.98 0.03 0.00 0.42 0.00 0.00 52.86 51.33 2rng s ASN 42 Cb 0.10 -2.36 -0.01 0.00 -1.45 0.00 0.00 41.25 37.53 2rng s ASN 42 CO 0.46 -1.02 0.09 0.00 -3.72 0.00 0.00 177.10 172.91 2rng n HIS 43 N 6.20 0.40 -3.05 0.43 1.44 -1.26 -4.84 115.22 114.54 2rng n HIS 43 Ca 0.16 -2.33 -0.41 0.00 -2.01 0.00 0.00 57.72 53.12 2rng n HIS 43 Cb 0.48 -0.09 -0.06 0.00 0.12 0.00 0.00 29.99 30.43 2rng n HIS 43 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 2rng s SER 44 N -3.34 6.57 0.32 4.39 1.04 -1.26 -0.45 113.70 120.97 2rng s SER 44 Ca 0.13 0.54 0.04 0.00 0.48 0.00 0.00 55.95 57.15 2rng s SER 44 Cb 0.01 -2.36 0.04 0.00 0.10 0.00 0.00 66.02 63.81 2rng s SER 44 CO 0.09 -0.51 0.36 0.00 0.98 0.00 0.00 173.24 174.16 2rng n ALA 46 N -2.51 -1.22 -0.57 0.00 0.00 -1.26 -2.22 120.51 112.73 2rng n ALA 46 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2rng n ALA 46 Cb 0.34 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.77 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 -1.22 0.40 1.54 0.00 0.00 -1.26 -2.76 105.19 101.88 2rng n GLY 47 Ca 0.09 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 2rng n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rng n ASN 48 N -1.28 4.48 -0.01 1.61 4.13 -1.26 -3.80 115.26 119.13 2rng n ASN 48 Ca 0.00 -2.63 -0.01 0.00 1.68 0.00 0.00 54.58 53.62 2rng n ASN 48 Cb 0.00 -0.82 -0.02 0.00 -1.54 0.00 0.00 39.78 37.41 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2rng n ARG 49 N 0.34 3.17 -4.42 3.52 1.74 -1.11 -5.07 116.66 114.84 2rng n ARG 49 Ca 0.18 -0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.05 2rng n ARG 49 Cb 0.72 -1.05 -0.10 0.00 -1.02 0.00 0.00 32.46 31.00 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 -3.12 1.81 0.30 -0.13 0.00 -0.94 -4.56 107.32 100.67 2rng s GLY 50 Ca -0.01 -1.89 0.04 0.00 0.00 0.00 0.00 44.72 42.86 2rng s GLY 50 CO 0.09 -1.82 0.21 -0.98 0.00 0.00 0.00 173.10 170.60 2rng s TRP 51 N -3.08 1.59 -0.46 1.90 0.52 -0.94 -0.85 118.94 117.63 2rng s TRP 51 Ca 0.30 -1.52 -0.10 0.00 0.02 0.00 0.00 56.10 54.79 2rng s TRP 51 Cb 0.04 -0.73 0.10 0.00 -1.15 0.00 0.00 33.47 31.73 2rng s TRP 51 CO 0.12 -0.72 0.33 0.00 0.02 0.00 0.00 176.95 176.69 2rng s ARG 53 N 1.43 2.07 0.30 0.00 0.52 0.01 -4.49 118.95 118.79 2rng s ARG 53 Ca 0.04 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 54.50 2rng s ARG 53 Cb -0.25 -1.87 0.77 0.00 0.52 0.00 0.00 34.95 34.11 2rng s ARG 53 CO 0.01 0.42 1.73 1.03 0.02 0.00 0.00 175.30 178.51 2rng h SER 54 N 5.84 0.56 -4.28 0.23 0.87 -1.88 -2.74 113.55 112.16 2rng h SER 54 Ca -0.37 0.13 -0.44 0.00 -1.23 0.00 0.00 61.79 59.88 2rng h SER 54 Cb 1.15 0.05 -0.26 0.00 -0.44 0.00 0.00 62.40 62.90 2rng h SER 54 CO 0.47 0.11 -0.79 -0.75 -0.53 0.00 0.00 176.83 175.34 2rng s LYS 55 N -5.85 0.94 0.36 2.24 2.20 -1.26 -4.51 119.74 113.86 2rng s LYS 55 Ca -0.11 -0.66 0.07 0.00 -0.36 0.00 0.00 55.97 54.91 2rng s LYS 55 Cb 0.25 -0.92 -0.02 0.00 -1.51 0.00 0.00 37.83 35.64 2rng s LYS 55 CO 0.79 0.24 0.40 0.00 -0.36 0.00 0.00 175.35 176.42 2rng s PHE 57 N -2.31 3.09 0.16 0.00 0.08 -1.26 -4.94 117.98 112.80 2rng s PHE 57 Ca 0.46 0.87 -0.11 0.00 0.12 0.00 0.00 56.93 58.27 2rng s PHE 57 Cb -0.07 -3.33 0.04 0.00 -0.57 0.00 0.00 43.02 39.09 2rng s PHE 57 CO 0.29 -1.55 1.62 -0.09 -0.10 0.00 0.00 175.22 175.38 2rng h ARG 58 N -0.91 0.97 0.00 0.44 9.65 -2.00 -1.84 114.38 120.70 2rng h ARG 58 Ca -0.46 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.11 2rng h ARG 58 Cb 1.30 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2rng h ARG 58 CO 0.65 0.98 0.00 0.72 2.80 0.00 0.00 179.97 185.12 2rng n HIS 59 N -4.25 0.00 -4.61 2.20 8.25 -1.26 -4.72 115.22 110.84 2rng n HIS 59 Ca 0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 2rng n HIS 59 Cb 0.34 -0.31 -0.08 0.00 1.12 0.00 0.00 29.99 31.06 2rng n HIS 59 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2rng s GLU 60 N -2.62 2.03 0.01 -0.41 2.02 -0.69 -4.48 118.70 114.56 2rng s GLU 60 Ca 0.10 -2.26 0.00 0.00 0.02 0.00 0.00 54.97 52.83 2rng s GLU 60 Cb 0.07 -0.96 -0.00 0.00 0.10 0.00 0.00 34.13 33.34 2rng s GLU 60 CO 0.17 -0.43 0.01 2.48 0.02 0.00 0.00 175.26 177.51 2rng n TYR 61 N -1.04 -0.00 -3.56 1.61 4.11 -0.96 -4.57 117.16 112.74 2rng n TYR 61 Ca -0.11 -0.09 -0.40 0.00 -0.00 0.00 0.00 57.90 57.30 2rng n TYR 61 Cb 0.66 0.00 -0.06 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 -1.72 4.57 -0.99 -3.48 1.01 -1.26 -2.21 120.40 116.30 2rng s VAL 62 Ca 0.01 -3.01 -0.13 0.00 0.00 0.00 0.00 61.98 58.85 2rng s VAL 62 Cb 0.00 -3.87 -0.32 0.00 0.00 0.00 0.00 36.38 32.19 2rng s VAL 62 CO 0.01 -0.98 2.25 -0.67 0.00 0.00 0.00 175.10 175.70 2rng n ASP 63 N 3.37 -1.11 0.13 3.32 2.03 0.24 -4.66 116.55 119.88 2rng n ASP 63 Ca 0.13 -0.45 0.17 0.00 0.52 0.00 0.00 54.79 55.16 2rng n ASP 63 Cb 0.41 -0.62 0.75 0.00 -0.72 0.00 0.00 41.12 40.93 2rng n ASP 63 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2rng h THR 64 N 7.18 0.63 0.02 5.18 1.35 -1.95 0.81 112.91 126.12 2rng h THR 64 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2rng h THR 64 Cb 1.16 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2rng h THR 64 CO 1.58 0.00 -0.01 0.22 -0.25 0.00 0.00 175.52 177.06 2rng h TYR 65 N 0.00 -0.02 -0.00 4.73 3.20 -1.94 -3.20 116.97 119.74 2rng h TYR 65 Ca 0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2rng h TYR 65 Cb 0.65 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2rng h TYR 65 CO 0.00 0.49 -0.11 0.66 -1.64 0.00 0.00 178.16 177.56 2rng n TYR 66 N -4.85 0.00 0.27 -3.82 4.02 -0.88 -3.68 117.16 108.22 2rng n TYR 66 Ca -0.09 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.96 2rng n TYR 66 Cb 0.26 -0.35 0.74 0.00 -0.02 0.00 0.00 39.34 39.97 2rng n TYR 66 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2rng h SER 67 N 0.13 0.00 0.06 7.72 0.02 -0.85 -0.67 113.55 119.95 2rng h SER 67 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rng h SER 67 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2rng h SER 67 CO 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 176.83 175.66 2rng h ALA 68 N 1.26 -0.08 -0.10 3.77 0.00 -1.77 -2.84 119.26 119.50 2rng h ALA 68 Ca 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2rng h ALA 68 Cb 0.90 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2rng h ALA 68 CO -0.00 -0.30 -0.15 -0.24 0.00 0.00 0.00 179.25 178.56 2rng h VAL 69 N -0.58 1.17 0.20 0.00 3.04 -1.40 -2.91 116.25 115.77 2rng h VAL 69 Ca -0.01 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.92 2rng h VAL 69 Cb 0.50 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2rng h VAL 69 CO 0.01 0.23 -0.10 0.00 -1.01 0.00 0.00 177.57 176.71 2rng n GLY 71 N -0.83 1.86 0.39 0.00 0.00 -1.08 -3.88 105.19 101.65 2rng n GLY 71 Ca -0.09 -0.64 0.17 0.00 0.00 0.00 0.00 46.02 45.46 2rng n GLY 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2rng h ARG 72 N 0.00 0.00 -5.44 1.61 9.65 -1.91 -3.41 114.38 114.89 2rng h ARG 72 Ca 0.00 0.00 -0.65 0.00 -1.10 0.00 0.00 59.98 58.23 2rng h ARG 72 Cb 0.00 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.48 2rng h ARG 72 CO 0.00 0.00 -0.45 0.71 2.80 0.00 0.00 179.97 183.03 2rng s TYR 73 N -4.34 1.79 0.07 2.20 2.02 -1.25 -4.83 117.35 113.01 2rng s TYR 73 Ca -0.03 -0.92 0.08 0.00 -0.37 0.00 0.00 57.07 55.83 2rng s TYR 73 Cb 0.11 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2rng s TYR 73 CO 0.37 0.00 -0.17 -0.06 -1.57 0.00 0.00 175.55 174.13 2rng s PHE 74 N -2.84 2.58 -0.85 2.71 0.08 -1.03 -4.50 117.98 114.12 2rng s PHE 74 Ca 0.15 -0.24 -0.25 0.00 0.12 0.00 0.00 56.93 56.70 2rng s PHE 74 Cb 0.00 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 41.06 2rng s PHE 74 CO 0.09 0.32 1.38 0.00 -0.10 0.00 0.00 175.22 176.90 2rng n ARG 77 N -2.91 0.27 -3.82 0.00 1.74 -0.94 -2.20 116.66 108.80 2rng n ARG 77 Ca 0.07 -0.60 -0.35 0.00 -0.77 0.00 0.00 57.85 56.20 2rng n ARG 77 Cb 0.55 0.71 -0.12 0.00 -1.02 0.00 0.00 32.46 32.57 2rng n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2rng s SER 78 N -1.54 5.06 0.00 0.55 0.15 -1.26 -2.26 113.70 114.41 2rng s SER 78 Ca 0.05 -2.39 0.17 0.00 0.70 0.00 0.00 55.95 54.48 2rng s SER 78 Cb -0.01 -1.78 1.00 0.00 -1.71 0.00 0.00 66.02 63.52 2rng s SER 78 CO 0.03 -0.43 1.41 -1.14 1.20 0.00 0.00 173.24 174.31