#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 2.94 0.23 1.20 0.04 -1.26 -4.88 135.00 133.27 2rng s PRO 2 Ca 0.00 -0.87 -0.15 0.00 0.04 0.00 0.00 61.00 60.03 2rng s PRO 2 Cb 0.00 -5.22 0.01 0.00 0.04 0.00 0.00 34.50 29.32 2rng s PRO 2 CO 0.00 -3.11 0.50 -1.17 0.04 0.00 0.00 177.00 173.25 2rng s LEU 3 N 8.44 0.26 0.51 -3.56 0.20 -1.26 -5.14 118.68 118.14 2rng s LEU 3 Ca 0.62 -0.75 -0.23 0.00 0.69 0.00 0.00 54.13 54.46 2rng s LEU 3 Cb -0.03 1.92 -0.06 0.00 -0.43 0.00 0.00 46.19 47.59 2rng s LEU 3 CO 0.01 -1.11 1.32 -0.38 -0.29 0.00 0.00 176.35 175.90 2rng n ILE 4 N -0.36 3.41 -1.73 6.68 2.08 -1.26 -4.98 119.36 123.20 2rng n ILE 4 Ca -0.05 -0.50 -0.30 0.00 0.56 0.00 0.00 62.75 62.46 2rng n ILE 4 Cb 0.62 -1.62 0.07 0.00 -0.75 0.00 0.00 39.64 37.95 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 -2.67 2.47 0.10 0.38 0.04 -1.26 -4.99 135.00 129.08 2rng s PRO 5 Ca 0.68 0.53 0.11 0.00 0.04 0.00 0.00 61.00 62.37 2rng s PRO 5 Cb -0.44 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 31.98 2rng s PRO 5 CO 0.52 -1.32 1.09 0.00 0.04 0.00 0.00 177.00 177.33 2rng h ALA 6 N -0.87 0.56 -0.23 8.56 0.00 -1.98 -3.35 119.26 121.96 2rng h ALA 6 Ca -0.46 -0.95 0.05 0.00 0.00 0.00 0.00 54.91 53.55 2rng h ALA 6 Cb 1.26 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 2rng h ALA 6 CO 0.62 1.17 -0.09 0.97 0.00 0.00 0.00 179.25 181.92 2rng h ILE 7 N 0.00 0.70 -0.94 0.00 2.10 -1.94 -0.30 117.51 117.13 2rng h ILE 7 Ca -0.10 0.00 0.27 0.00 1.08 0.00 0.00 64.86 66.12 2rng h ILE 7 Cb 1.73 0.70 -0.04 0.00 -1.09 0.00 0.00 36.82 38.13 2rng h ILE 7 CO 0.09 0.00 0.86 1.88 -1.08 0.00 0.00 178.15 179.90 2rng h TYR 8 N -0.05 0.00 -2.49 2.19 -1.99 -1.93 -3.32 116.97 109.39 2rng h TYR 8 Ca 0.12 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.30 2rng h TYR 8 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 2rng h TYR 8 CO -0.26 0.00 1.18 0.42 -0.00 0.00 0.00 178.16 179.50 2rng s ILE 9 N -4.69 3.34 -1.32 -2.88 1.01 -0.13 -1.07 121.20 115.46 2rng s ILE 9 Ca -0.04 0.40 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 2rng s ILE 9 Cb 0.18 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.37 2rng s ILE 9 CO 0.63 -0.06 0.06 0.61 0.00 0.00 0.00 174.94 176.18 2rng n GLY 10 N 4.49 -0.27 0.00 6.18 0.00 0.15 -4.98 105.19 110.76 2rng n GLY 10 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.93 0.00 -3.25 4.61 0.00 -0.23 -4.90 120.51 114.81 2rng n ALA 11 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 2rng n ALA 11 Cb 0.64 0.00 -0.03 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 1.47 -0.80 0.54 0.00 2.01 -1.26 -1.44 115.64 116.15 2rng s THR 12 Ca 0.00 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.75 2rng s THR 12 Cb 0.00 -0.38 0.03 0.00 0.01 0.00 0.00 72.50 72.16 2rng s THR 12 CO 0.00 -0.17 0.76 0.68 -0.69 0.00 0.00 174.62 175.20 2rng s VAL 13 N 1.93 2.75 0.00 3.82 -7.23 0.69 -4.72 120.40 117.64 2rng s VAL 13 Ca 0.15 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2rng s VAL 13 Cb -0.08 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2rng s VAL 13 CO -0.11 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2rng n GLY 14 N -2.30 0.14 0.21 2.32 0.00 -1.23 0.06 105.19 104.38 2rng n GLY 14 Ca 0.08 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 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 0.69 0.24 1.61 0.13 -1.80 -2.12 132.00 130.76 2rng h PRO 15 Ca 0.00 -0.60 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 2rng h PRO 15 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2rng h PRO 15 CO 0.00 1.21 -0.12 1.03 -0.23 0.00 0.00 178.00 179.89 2rng h SER 16 N 0.45 -0.28 -0.37 1.44 0.87 -1.93 -2.65 113.55 111.09 2rng h SER 16 Ca -0.07 -0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.29 2rng h SER 16 Cb 1.46 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.46 2rng h SER 16 CO 0.16 0.12 0.19 0.58 -0.53 0.00 0.00 176.83 177.36 2rng h VAL 17 N -0.72 1.00 -0.04 2.23 2.07 -1.93 -2.63 116.25 116.22 2rng h VAL 17 Ca -0.03 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2rng h VAL 17 Cb 0.49 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2rng h VAL 17 CO 0.05 0.07 -0.26 -0.25 0.02 0.00 0.00 177.57 177.21 2rng h TRP 18 N 0.40 -0.78 -0.99 1.57 2.91 -1.40 0.21 115.95 117.87 2rng h TRP 18 Ca 0.15 0.03 0.35 0.00 1.13 0.00 0.00 58.89 60.55 2rng h TRP 18 Cb 0.05 0.34 -0.16 0.00 -0.51 0.00 0.00 29.16 28.88 2rng h TRP 18 CO -0.09 -0.27 0.49 0.00 -1.03 0.00 0.00 178.44 177.53 2rng h ALA 19 N -0.92 1.92 0.75 2.65 0.00 -1.35 0.94 119.26 123.26 2rng h ALA 19 Ca 0.01 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2rng h ALA 19 Cb 0.34 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2rng h ALA 19 CO -0.20 -0.72 -0.40 -0.92 0.00 0.00 0.00 179.25 177.01 2rng h TYR 20 N 0.15 -1.04 -0.94 0.00 3.20 -0.62 -2.35 116.97 115.38 2rng h TYR 20 Ca 0.76 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.81 2rng h TYR 20 Cb 1.83 0.36 -0.08 0.00 1.54 0.00 0.00 36.73 40.38 2rng h TYR 20 CO -0.07 -0.62 0.61 1.25 -1.64 0.00 0.00 178.16 177.69 2rng h LEU 21 N -1.05 0.50 -0.15 2.82 6.46 0.10 -0.80 115.31 123.20 2rng h LEU 21 Ca -0.10 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2rng h LEU 21 Cb 0.83 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 2rng h LEU 21 CO 0.14 0.19 0.03 0.58 -0.62 0.00 0.00 178.44 178.76 2rng h VAL 22 N 0.50 0.94 -0.48 1.05 2.07 -0.79 -1.73 116.25 117.80 2rng h VAL 22 Ca 0.50 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 68.03 2rng h VAL 22 Cb 1.12 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 2rng h VAL 22 CO -0.23 0.02 0.23 0.00 0.02 0.00 0.00 177.57 177.61 2rng h ALA 23 N 1.10 0.60 -0.60 1.67 0.00 -0.81 -1.62 119.26 119.61 2rng h ALA 23 Ca 0.06 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2rng h ALA 23 Cb 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2rng h ALA 23 CO -0.09 -0.13 0.33 1.25 0.00 0.00 0.00 179.25 180.61 2rng h LEU 24 N 0.45 0.49 0.00 0.00 5.85 -1.13 -3.43 115.31 117.54 2rng h LEU 24 Ca 0.21 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2rng h LEU 24 Cb 0.14 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2rng h LEU 24 CO -0.16 0.32 0.00 0.55 -0.34 0.00 0.00 178.44 178.82 2rng n VAL 25 N -4.82 0.00 0.00 1.05 3.14 -0.69 -5.02 118.33 111.99 2rng n VAL 25 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2rng n VAL 25 Cb 0.15 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 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 3.58 0.79 0.32 7.55 0.00 -0.67 -4.95 105.19 111.82 2rng n GLY 26 Ca 0.00 -0.83 0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 1.03 0.25 4.61 0.00 -1.92 -1.10 119.26 122.13 2rng h ALA 27 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 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 -0.12 0.00 0.00 0.00 0.00 179.25 179.14 2rng h ALA 28 N 2.00 -0.51 0.00 0.00 0.00 -1.97 -2.22 119.26 116.55 2rng h ALA 28 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rng h ALA 28 Cb 0.11 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rng h ALA 28 CO 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 179.25 178.75 2rng h ALA 29 N -1.51 1.33 -0.38 0.00 0.00 -1.93 -0.32 119.26 116.45 2rng h ALA 29 Ca -0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2rng h ALA 29 Cb 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2rng h ALA 29 CO 0.06 0.02 -0.20 0.28 0.00 0.00 0.00 179.25 179.40 2rng h VAL 30 N 0.00 1.27 0.00 0.00 2.07 -1.16 -1.96 116.25 116.46 2rng h VAL 30 Ca -0.00 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.13 2rng h VAL 30 Cb 0.05 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2rng h VAL 30 CO 0.00 0.43 -0.85 0.74 0.02 0.00 0.00 177.57 177.91 2rng h THR 31 N 0.64 0.49 0.00 2.57 2.02 -0.47 -3.28 112.91 114.88 2rng h THR 31 Ca 0.09 -1.79 -0.05 0.00 0.77 0.00 0.00 66.41 65.43 2rng h THR 31 Cb 0.69 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 2rng h THR 31 CO 0.05 0.28 -0.25 0.00 0.37 0.00 0.00 175.52 175.97 2rng h ALA 32 N 1.61 0.90 -0.37 6.16 0.00 -1.01 -3.04 119.26 123.51 2rng h ALA 32 Ca -0.06 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2rng h ALA 32 Cb 1.35 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 2rng h ALA 32 CO 0.04 0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.75 2rng n ALA 33 N -2.18 3.57 -3.60 0.00 0.00 -0.76 -4.93 120.51 112.61 2rng n ALA 33 Ca 0.02 -1.15 -0.32 0.00 0.00 0.00 0.00 53.44 51.99 2rng n ALA 33 Cb 0.55 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.88 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 0.02 -5.35 -4.25 0.00 2.85 -1.15 -1.51 115.26 105.87 2rng n ASN 34 Ca 0.21 -0.46 -0.33 0.00 -0.11 0.00 0.00 54.58 53.89 2rng n ASN 34 Cb 0.88 -1.82 -0.16 0.00 1.24 0.00 0.00 39.78 39.92 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 -2.13 2.52 -0.01 -1.44 1.01 -1.25 0.34 121.20 120.25 2rng s ILE 35 Ca 0.22 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 2rng s ILE 35 Cb -0.02 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2rng s ILE 35 CO 0.88 0.53 0.16 -0.13 0.00 0.00 0.00 174.94 176.38 2rng s ARG 36 N 0.70 3.37 0.16 2.79 0.52 -0.52 -4.93 118.95 121.04 2rng s ARG 36 Ca -0.08 -0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 54.66 2rng s ARG 36 Cb -0.16 -3.05 -0.07 0.00 0.52 0.00 0.00 34.95 32.19 2rng s ARG 36 CO 0.01 0.67 0.51 1.03 0.02 0.00 0.00 175.30 177.55 2rng s ARG 37 N -1.91 3.86 0.14 3.54 0.52 -1.25 -0.22 118.95 123.62 2rng s ARG 37 Ca 0.27 0.33 0.09 0.00 -0.52 0.00 0.00 55.73 55.89 2rng s ARG 37 Cb -0.13 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 2rng s ARG 37 CO 0.18 0.44 -0.20 0.00 0.02 0.00 0.00 175.30 175.74 2rng s ALA 38 N -1.58 1.99 0.59 2.13 0.00 0.11 -4.87 121.76 120.13 2rng s ALA 38 Ca 0.40 -1.41 0.35 0.00 0.00 0.00 0.00 51.96 51.31 2rng s ALA 38 Cb -0.13 -0.23 1.29 0.00 0.00 0.00 0.00 23.12 24.05 2rng s ALA 38 CO 0.20 0.31 1.50 1.03 0.00 0.00 0.00 175.76 178.80 2rng h SER 39 N 3.59 0.00 -0.21 0.00 0.87 -1.90 -3.29 113.55 112.61 2rng h SER 39 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2rng h SER 39 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2rng h SER 39 CO 0.46 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.56 2rng n SER 40 N -3.59 0.00 0.09 6.23 7.64 -1.26 -4.73 113.62 118.00 2rng n SER 40 Ca 0.28 -0.50 0.08 0.00 1.01 0.00 0.00 58.87 59.74 2rng n SER 40 Cb 1.56 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 65.15 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 -0.21 0.38 -4.40 6.43 9.92 -1.26 -3.55 116.55 123.85 2rng n ASP 41 Ca 0.00 0.63 -0.44 0.00 -0.53 0.00 0.00 54.79 54.45 2rng n ASP 41 Cb 0.00 -0.70 -0.06 0.00 -0.64 0.00 0.00 41.12 39.72 2rng n ASP 41 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2rng s ASN 42 N -3.71 6.20 0.35 -2.24 2.47 -1.26 -4.58 114.94 112.17 2rng s ASN 42 Ca 0.02 -1.21 0.01 0.00 0.42 0.00 0.00 52.86 52.11 2rng s ASN 42 Cb 0.07 -2.27 -0.00 0.00 -1.45 0.00 0.00 41.25 37.59 2rng s ASN 42 CO 0.24 -0.92 0.43 0.00 -3.72 0.00 0.00 177.10 173.14 2rng n HIS 43 N 5.98 -1.26 -2.97 0.43 1.44 -1.26 -4.74 115.22 112.84 2rng n HIS 43 Ca -0.09 -2.57 -0.40 0.00 -2.01 0.00 0.00 57.72 52.65 2rng n HIS 43 Cb 0.44 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 -1.54 -2.81 0.00 0.00 176.34 171.99 2rng s SER 44 N -3.28 7.19 0.45 4.39 1.04 -1.26 -0.67 113.70 121.55 2rng s SER 44 Ca 0.33 1.42 0.04 0.00 0.48 0.00 0.00 55.95 58.22 2rng s SER 44 Cb -0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 2rng s SER 44 CO 0.24 -0.03 0.03 0.00 0.98 0.00 0.00 173.24 174.45 2rng n ALA 46 N -1.07 -0.95 -0.58 0.00 0.00 -1.26 -2.54 120.51 114.11 2rng n ALA 46 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2rng n ALA 46 Cb 0.67 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -1.00 1.16 1.74 0.00 0.00 -1.26 -2.73 105.19 103.10 2rng n GLY 47 Ca -0.07 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 0.51 5.92 -0.04 1.61 3.02 -1.26 -3.99 115.26 121.03 2rng n ASN 48 Ca 0.00 -2.75 -0.06 0.00 -0.03 0.00 0.00 54.58 51.74 2rng n ASN 48 Cb 0.00 -1.11 -0.04 0.00 -0.61 0.00 0.00 39.78 38.02 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2rng n ARG 49 N 0.97 0.22 -4.41 3.52 1.74 -1.10 -5.08 116.66 112.52 2rng n ARG 49 Ca 0.17 0.05 -0.20 0.00 -0.77 0.00 0.00 57.85 57.10 2rng n ARG 49 Cb 0.55 -1.17 -0.10 0.00 -1.02 0.00 0.00 32.46 30.73 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 -4.88 2.08 0.34 -0.13 0.00 -1.05 -4.45 107.32 99.23 2rng s GLY 50 Ca -0.12 -1.78 0.05 0.00 0.00 0.00 0.00 44.72 42.86 2rng s GLY 50 CO 0.21 -1.72 0.20 -0.98 0.00 0.00 0.00 173.10 170.81 2rng s TRP 51 N -3.47 1.69 -0.30 1.90 0.52 -0.87 -1.87 118.94 116.54 2rng s TRP 51 Ca 0.34 -1.47 -0.07 0.00 0.02 0.00 0.00 56.10 54.92 2rng s TRP 51 Cb 0.07 -0.86 0.01 0.00 -1.15 0.00 0.00 33.47 31.53 2rng s TRP 51 CO 0.15 -0.61 0.09 0.00 0.02 0.00 0.00 176.95 176.60 2rng s ARG 53 N 1.52 0.80 0.28 0.00 0.52 -0.54 -4.47 118.95 117.07 2rng s ARG 53 Ca 0.03 -0.52 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 2rng s ARG 53 Cb -0.17 -0.76 0.69 0.00 0.52 0.00 0.00 34.95 35.22 2rng s ARG 53 CO 0.03 0.20 1.69 1.03 0.02 0.00 0.00 175.30 178.27 2rng h SER 54 N 5.44 0.28 -4.56 0.23 0.87 -1.92 -2.62 113.55 111.27 2rng h SER 54 Ca -0.34 0.15 -0.31 0.00 -1.23 0.00 0.00 61.79 60.06 2rng h SER 54 Cb 1.18 0.15 -0.23 0.00 -0.44 0.00 0.00 62.40 63.06 2rng h SER 54 CO 0.47 -0.01 -0.75 -0.75 -0.53 0.00 0.00 176.83 175.26 2rng s LYS 55 N -5.91 0.58 0.28 2.24 2.20 -1.26 -4.42 119.74 113.46 2rng s LYS 55 Ca -0.12 -0.70 0.06 0.00 -0.36 0.00 0.00 55.97 54.86 2rng s LYS 55 Cb 0.25 -0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.11 2rng s LYS 55 CO 0.78 0.09 0.35 0.00 -0.36 0.00 0.00 175.35 176.21 2rng s PHE 57 N -2.11 3.13 0.18 0.00 0.08 -1.26 -4.95 117.98 113.05 2rng s PHE 57 Ca 0.38 0.89 -0.08 0.00 0.12 0.00 0.00 56.93 58.24 2rng s PHE 57 Cb -0.09 -3.29 0.07 0.00 -0.57 0.00 0.00 43.02 39.15 2rng s PHE 57 CO 0.29 -1.49 1.61 -0.09 -0.10 0.00 0.00 175.22 175.44 2rng h ARG 58 N -0.86 1.01 0.00 0.44 2.43 -1.99 -1.95 114.38 113.46 2rng h ARG 58 Ca -0.45 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.35 2rng h ARG 58 Cb 1.29 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2rng h ARG 58 CO 0.65 1.05 0.00 1.58 -1.51 0.00 0.00 179.97 181.74 2rng n HIS 59 N -4.15 0.00 -4.62 2.20 -0.00 -1.26 -4.69 115.22 102.71 2rng n HIS 59 Ca 0.02 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.91 2rng n HIS 59 Cb 0.40 -0.49 -0.08 0.00 -0.12 0.00 0.00 29.99 29.69 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 -2.99 2.06 0.00 1.57 2.02 -0.73 -4.55 118.70 116.09 2rng s GLU 60 Ca 0.03 -2.30 0.00 0.00 0.02 0.00 0.00 54.97 52.72 2rng s GLU 60 Cb 0.04 -0.92 0.00 0.00 0.10 0.00 0.00 34.13 33.34 2rng s GLU 60 CO 0.10 -0.47 0.00 2.48 0.02 0.00 0.00 175.26 177.39 2rng n TYR 61 N -1.07 0.00 -3.67 1.61 4.11 -0.94 -4.60 117.16 112.60 2rng n TYR 61 Ca -0.11 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.41 2rng n TYR 61 Cb 0.65 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.91 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 -1.45 4.01 -0.93 -3.48 1.01 -1.26 -2.05 120.40 116.25 2rng s VAL 62 Ca 0.00 -3.15 -0.11 0.00 0.00 0.00 0.00 61.98 58.72 2rng s VAL 62 Cb 0.00 -3.57 -0.30 0.00 0.00 0.00 0.00 36.38 32.51 2rng s VAL 62 CO 0.00 -0.94 2.07 -0.67 0.00 0.00 0.00 175.10 175.56 2rng n ASP 63 N 3.24 -1.13 0.12 3.32 -0.08 0.25 -4.66 116.55 117.61 2rng n ASP 63 Ca 0.12 -0.41 0.15 0.00 -1.51 0.00 0.00 54.79 53.14 2rng n ASP 63 Cb 0.38 -0.55 0.69 0.00 2.34 0.00 0.00 41.12 43.98 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 6.64 0.80 0.21 5.18 1.35 -1.95 0.98 112.91 126.12 2rng h THR 64 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 2rng h THR 64 Cb 1.07 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2rng h THR 64 CO 1.48 0.00 -0.10 0.22 -0.25 0.00 0.00 175.52 176.87 2rng h TYR 65 N 0.00 -0.26 -0.00 4.73 5.03 -1.94 -3.13 116.97 121.40 2rng h TYR 65 Ca 0.14 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.45 2rng h TYR 65 Cb 0.59 0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.95 2rng h TYR 65 CO 0.00 0.12 -0.00 0.66 -1.32 0.00 0.00 178.16 177.61 2rng n TYR 66 N -5.03 0.00 0.22 -3.82 4.01 -0.92 -3.57 117.16 108.06 2rng n TYR 66 Ca -0.09 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.79 2rng n TYR 66 Cb 0.25 -0.21 0.71 0.00 -0.31 0.00 0.00 39.34 39.78 2rng n TYR 66 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2rng h SER 67 N 0.01 0.00 -0.07 7.72 0.02 -0.76 -1.82 113.55 118.66 2rng h SER 67 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2rng h SER 67 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2rng h SER 67 CO 0.00 0.00 -0.30 0.00 -1.14 0.00 0.00 176.83 175.39 2rng h ALA 68 N 1.75 0.13 0.00 3.77 0.00 -1.76 -2.81 119.26 120.34 2rng h ALA 68 Ca 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2rng h ALA 68 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rng h ALA 68 CO 0.00 0.17 -0.37 -0.24 0.00 0.00 0.00 179.25 178.82 2rng h VAL 69 N -0.17 0.89 0.07 0.00 3.04 -1.62 -3.14 116.25 115.32 2rng h VAL 69 Ca -0.02 -1.47 -0.00 0.00 -1.01 0.00 0.00 66.70 64.20 2rng h VAL 69 Cb 0.95 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 2rng h VAL 69 CO 0.06 0.36 -0.03 0.00 -1.01 0.00 0.00 177.57 176.95 2rng n GLY 71 N -0.41 0.47 0.46 0.00 0.00 -1.06 -3.80 105.19 100.85 2rng n GLY 71 Ca -0.08 -0.90 0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 0.20 0.00 1.61 -0.00 -1.90 -3.40 114.38 110.89 2rng h ARG 72 Ca 0.00 -0.01 -0.36 0.00 -0.50 0.00 0.00 59.98 59.10 2rng h ARG 72 Cb 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 29.97 29.99 2rng h ARG 72 CO 0.00 0.13 0.08 0.66 0.00 0.00 0.00 179.97 180.85 2rng n TYR 73 N -4.44 -3.00 -4.78 3.04 4.02 -1.25 -4.94 117.16 105.81 2rng n TYR 73 Ca 0.26 -1.40 -0.24 0.00 -0.01 0.00 0.00 57.90 56.50 2rng n TYR 73 Cb 1.05 -0.57 -0.15 0.00 -0.02 0.00 0.00 39.34 39.66 2rng n TYR 73 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2rng s PHE 74 N -2.35 1.56 -0.81 -0.72 0.40 -0.99 -4.67 117.98 110.40 2rng s PHE 74 Ca 0.52 -0.30 -0.26 0.00 -0.60 0.00 0.00 56.93 56.29 2rng s PHE 74 Cb -0.03 -0.99 0.03 0.00 0.51 0.00 0.00 43.02 42.54 2rng s PHE 74 CO 0.34 -0.01 1.36 0.00 0.70 0.00 0.00 175.22 177.61 2rng n ARG 77 N -3.00 0.22 -3.90 0.00 5.12 -0.87 -2.06 116.66 112.18 2rng n ARG 77 Ca 0.07 -0.64 -0.28 0.00 -1.93 0.00 0.00 57.85 55.07 2rng n ARG 77 Cb 0.56 0.68 -0.12 0.00 -1.16 0.00 0.00 32.46 32.42 2rng n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2rng s SER 78 N -1.53 4.77 0.00 0.55 1.04 -1.26 -2.22 113.70 115.05 2rng s SER 78 Ca 0.06 -3.78 0.00 0.00 0.48 0.00 0.00 55.95 52.70 2rng s SER 78 Cb -0.01 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.48 2rng s SER 78 CO 0.04 -0.10 0.45 -1.14 0.98 0.00 0.00 173.24 173.47