#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 4.54 0.17 3.52 0.04 -1.26 -5.05 135.00 136.96 2rng s PRO 2 Ca 0.00 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 2rng s PRO 2 Cb 0.00 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.32 2rng s PRO 2 CO 0.00 -0.01 0.23 1.28 0.04 0.00 0.00 177.00 178.54 2rng n LEU 3 N 2.42 0.00 -4.50 -3.56 4.77 -1.26 -5.04 117.00 109.84 2rng n LEU 3 Ca 0.03 -0.46 -0.32 0.00 -0.03 0.00 0.00 56.01 55.23 2rng n LEU 3 Cb 0.45 -0.15 0.14 0.00 -2.33 0.00 0.00 43.42 41.53 2rng n LEU 3 CO 0.55 -0.62 0.16 -0.38 -1.33 0.00 0.00 177.39 175.77 2rng n ILE 4 N -1.78 0.00 -1.57 -0.08 5.41 -1.26 -4.97 119.36 115.11 2rng n ILE 4 Ca 0.04 -0.13 -0.30 0.00 1.00 0.00 0.00 62.75 63.36 2rng n ILE 4 Cb 0.13 -0.74 0.10 0.00 -0.71 0.00 0.00 39.64 38.42 2rng n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2rng s PRO 5 N -3.96 1.82 0.04 0.38 0.04 -1.26 -4.99 135.00 127.06 2rng s PRO 5 Ca 0.60 0.50 0.14 0.00 0.04 0.00 0.00 61.00 62.29 2rng s PRO 5 Cb -0.22 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 32.26 2rng s PRO 5 CO 0.64 -1.78 0.83 0.00 0.04 0.00 0.00 177.00 176.73 2rng h ALA 6 N -1.20 0.68 -0.31 8.56 0.00 -1.97 -3.37 119.26 121.66 2rng h ALA 6 Ca -0.48 -1.08 0.06 0.00 0.00 0.00 0.00 54.91 53.41 2rng h ALA 6 Cb 1.29 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 2rng h ALA 6 CO 0.61 1.20 -0.05 0.97 0.00 0.00 0.00 179.25 181.97 2rng h ILE 7 N 0.00 0.72 -1.27 0.00 2.10 -1.94 -0.13 117.51 117.00 2rng h ILE 7 Ca -0.19 -0.01 0.37 0.00 1.08 0.00 0.00 64.86 66.10 2rng h ILE 7 Cb 1.76 0.69 -0.05 0.00 -1.09 0.00 0.00 36.82 38.13 2rng h ILE 7 CO 0.07 0.01 0.95 1.88 -1.08 0.00 0.00 178.15 179.97 2rng h TYR 8 N 0.03 0.00 -2.59 2.19 -1.99 -1.93 -3.27 116.97 109.41 2rng h TYR 8 Ca 0.15 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.31 2rng h TYR 8 Cb 0.22 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 2rng h TYR 8 CO -0.26 0.00 1.22 0.42 -0.00 0.00 0.00 178.16 179.54 2rng s ILE 9 N -4.88 3.48 -0.65 -2.88 1.01 -0.06 -1.26 121.20 115.95 2rng s ILE 9 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2rng s ILE 9 Cb 0.23 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 39.18 2rng s ILE 9 CO 0.79 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2rng n GLY 10 N 4.95 0.26 0.00 6.18 0.00 0.76 -4.97 105.19 112.37 2rng n GLY 10 Ca 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.81 0.00 -3.25 4.61 0.00 -0.39 -4.93 120.51 115.75 2rng n ALA 11 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 2rng n ALA 11 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 0.74 -0.77 0.36 0.00 2.01 -1.26 -1.65 115.64 115.07 2rng s THR 12 Ca 0.00 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2rng s THR 12 Cb 0.00 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 2rng s THR 12 CO 0.00 -0.18 0.52 0.68 -0.69 0.00 0.00 174.62 174.95 2rng s VAL 13 N 2.65 4.30 0.00 3.82 -7.23 0.11 -4.78 120.40 119.27 2rng s VAL 13 Ca 0.10 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2rng s VAL 13 Cb -0.12 -3.53 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2rng s VAL 13 CO -0.29 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 2rng n GLY 14 N -1.75 -1.70 0.10 2.32 0.00 -1.22 -1.06 105.19 101.88 2rng n GLY 14 Ca -0.01 -1.52 -0.14 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 0.20 0.27 1.61 0.13 -1.75 -1.72 132.00 130.74 2rng h PRO 15 Ca 0.00 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2rng h PRO 15 Cb 0.00 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 2rng h PRO 15 CO 0.00 0.83 -0.22 1.03 -0.23 0.00 0.00 178.00 179.42 2rng h SER 16 N -0.38 -0.56 0.07 1.44 0.87 -1.92 -1.82 113.55 111.24 2rng h SER 16 Ca -0.02 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2rng h SER 16 Cb 0.87 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2rng h SER 16 CO 0.04 -0.33 -0.03 0.58 -0.53 0.00 0.00 176.83 176.56 2rng h VAL 17 N -0.50 0.95 -0.15 2.23 2.07 -1.93 -2.68 116.25 116.24 2rng h VAL 17 Ca -0.02 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2rng h VAL 17 Cb 0.44 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2rng h VAL 17 CO -0.01 0.02 -0.18 -0.25 0.02 0.00 0.00 177.57 177.16 2rng h TRP 18 N -0.12 -0.55 -0.98 1.57 2.91 -1.14 0.18 115.95 117.81 2rng h TRP 18 Ca -0.01 0.03 0.34 0.00 1.13 0.00 0.00 58.89 60.38 2rng h TRP 18 Cb 0.10 0.26 -0.17 0.00 -0.51 0.00 0.00 29.16 28.84 2rng h TRP 18 CO -0.06 -0.15 0.37 0.00 -1.03 0.00 0.00 178.44 177.56 2rng h ALA 19 N -0.85 1.75 0.41 2.65 0.00 -1.29 -1.17 119.26 120.76 2rng h ALA 19 Ca 0.03 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2rng h ALA 19 Cb 0.18 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2rng h ALA 19 CO -0.20 -0.73 -0.20 -0.92 0.00 0.00 0.00 179.25 177.20 2rng h TYR 20 N 0.08 -0.52 -0.96 0.00 3.20 -0.34 -2.67 116.97 115.76 2rng h TYR 20 Ca 0.73 -0.01 0.30 0.00 3.14 0.00 0.00 58.73 62.88 2rng h TYR 20 Cb 1.74 0.17 -0.17 0.00 1.54 0.00 0.00 36.73 40.01 2rng h TYR 20 CO -0.17 -0.32 0.21 1.25 -1.64 0.00 0.00 178.16 177.49 2rng h LEU 21 N -0.57 -0.14 -0.30 2.82 6.46 -0.09 0.38 115.31 123.87 2rng h LEU 21 Ca -0.06 0.25 0.06 0.00 -0.12 0.00 0.00 57.88 58.01 2rng h LEU 21 Cb 0.43 0.37 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 2rng h LEU 21 CO 0.09 -0.32 -0.03 0.58 -0.62 0.00 0.00 178.44 178.14 2rng h VAL 22 N 0.07 0.74 -0.94 1.05 2.07 -1.18 -0.95 116.25 117.11 2rng h VAL 22 Ca 0.65 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 68.26 2rng h VAL 22 Cb 1.44 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 2rng h VAL 22 CO -0.81 0.01 0.60 0.00 0.02 0.00 0.00 177.57 177.39 2rng h ALA 23 N 1.28 1.60 -0.37 1.67 0.00 0.10 -1.36 119.26 122.18 2rng h ALA 23 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2rng h ALA 23 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2rng h ALA 23 CO -0.27 0.19 0.23 1.25 0.00 0.00 0.00 179.25 180.64 2rng h LEU 24 N 0.93 0.44 0.00 0.00 5.85 -0.79 -3.43 115.31 118.30 2rng h LEU 24 Ca 0.45 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.13 2rng h LEU 24 Cb 0.45 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2rng h LEU 24 CO -0.21 0.35 0.00 0.55 -0.34 0.00 0.00 178.44 178.79 2rng n VAL 25 N -4.80 0.00 0.00 1.05 3.14 -0.63 -5.13 118.33 111.96 2rng n VAL 25 Ca -0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2rng n VAL 25 Cb 0.05 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 4.77 0.50 0.29 7.55 0.00 -0.61 -4.99 105.19 112.70 2rng n GLY 26 Ca 0.00 -0.87 0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 1.16 0.40 4.61 0.00 -1.95 -1.01 119.26 122.46 2rng h ALA 27 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2rng h ALA 27 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2rng h ALA 27 CO 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 179.25 179.14 2rng h ALA 28 N 1.94 -0.62 0.00 0.00 0.00 -1.97 -0.81 119.26 117.79 2rng h ALA 28 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2rng h ALA 28 Cb 0.29 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2rng h ALA 28 CO 0.01 -0.58 -0.10 0.00 0.00 0.00 0.00 179.25 178.57 2rng h ALA 29 N -1.34 1.48 -0.12 0.00 0.00 -1.94 -0.25 119.26 117.09 2rng h ALA 29 Ca -0.05 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2rng h ALA 29 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2rng h ALA 29 CO 0.09 0.13 -0.57 0.28 0.00 0.00 0.00 179.25 179.18 2rng h VAL 30 N 0.00 1.35 0.00 0.00 2.07 -1.16 -1.79 116.25 116.72 2rng h VAL 30 Ca -0.00 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 2rng h VAL 30 Cb 0.24 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2rng h VAL 30 CO 0.01 0.56 -0.57 0.74 0.02 0.00 0.00 177.57 178.34 2rng h THR 31 N 0.29 0.06 0.00 2.57 2.02 -0.14 -3.27 112.91 114.43 2rng h THR 31 Ca 0.00 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 2rng h THR 31 Cb 1.08 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2rng h THR 31 CO 0.10 0.03 -0.50 0.00 0.37 0.00 0.00 175.52 175.52 2rng h ALA 32 N 1.95 0.76 -0.39 6.16 0.00 -0.94 -3.26 119.26 123.55 2rng h ALA 32 Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2rng h ALA 32 Cb 1.04 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2rng h ALA 32 CO 0.00 0.07 0.16 0.00 0.00 0.00 0.00 179.25 179.49 2rng n ALA 33 N -2.15 3.61 -3.62 0.00 0.00 -0.69 -4.92 120.51 112.74 2rng n ALA 33 Ca 0.02 -1.19 -0.30 0.00 0.00 0.00 0.00 53.44 51.97 2rng n ALA 33 Cb 0.56 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.00 -5.31 -4.16 0.00 2.85 -1.23 -1.52 115.26 105.89 2rng n ASN 34 Ca 0.22 -0.54 -0.33 0.00 -0.11 0.00 0.00 54.58 53.82 2rng n ASN 34 Cb 0.90 -1.87 -0.16 0.00 1.24 0.00 0.00 39.78 39.89 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 -2.30 2.32 0.04 -1.44 1.01 -1.24 -0.17 121.20 119.41 2rng s ILE 35 Ca 0.18 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 2rng s ILE 35 Cb -0.02 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2rng s ILE 35 CO 0.88 0.52 0.23 -0.13 0.00 0.00 0.00 174.94 176.44 2rng s ARG 36 N 1.29 3.48 -0.14 2.79 1.81 -0.66 -4.94 118.95 122.59 2rng s ARG 36 Ca 0.04 -0.30 -0.07 0.00 -1.72 0.00 0.00 55.73 53.68 2rng s ARG 36 Cb -0.13 -3.04 -0.04 0.00 -0.45 0.00 0.00 34.95 31.28 2rng s ARG 36 CO -0.10 0.62 0.11 1.03 -0.68 0.00 0.00 175.30 176.28 2rng s ARG 37 N -2.22 3.61 0.26 3.54 0.52 -1.25 -0.71 118.95 122.70 2rng s ARG 37 Ca 0.32 -0.21 0.09 0.00 -0.52 0.00 0.00 55.73 55.40 2rng s ARG 37 Cb -0.13 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 2rng s ARG 37 CO 0.23 0.60 0.07 0.00 0.02 0.00 0.00 175.30 176.22 2rng s ALA 38 N -0.54 3.32 0.60 2.13 0.00 -0.22 -4.94 121.76 122.10 2rng s ALA 38 Ca 0.12 -1.57 0.29 0.00 0.00 0.00 0.00 51.96 50.79 2rng s ALA 38 Cb -0.12 -0.96 1.33 0.00 0.00 0.00 0.00 23.12 23.38 2rng s ALA 38 CO 0.02 0.26 1.72 1.03 0.00 0.00 0.00 175.76 178.79 2rng h SER 39 N 1.74 0.00 -2.32 0.00 0.87 -1.91 -3.22 113.55 108.72 2rng h SER 39 Ca -0.46 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.08 2rng h SER 39 Cb 1.25 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2rng h SER 39 CO 0.60 0.00 0.19 -1.20 -0.53 0.00 0.00 176.83 175.89 2rng n SER 40 N -3.57 -1.54 0.22 6.23 7.64 -1.26 -4.67 113.62 116.67 2rng n SER 40 Ca 0.13 -2.06 0.15 0.00 1.01 0.00 0.00 58.87 58.10 2rng n SER 40 Cb 0.94 2.56 0.76 0.00 -1.01 0.00 0.00 64.21 67.46 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 1.32 0.00 -3.40 6.43 3.32 -1.84 -3.24 116.42 119.01 2rng h ASP 41 Ca -0.22 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.18 2rng h ASP 41 Cb 0.83 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.23 2rng h ASP 41 CO 0.28 0.00 0.26 0.21 -1.72 0.00 0.00 179.24 178.28 2rng s ASN 42 N -4.51 6.32 0.29 6.45 3.84 -1.26 -4.52 114.94 121.55 2rng s ASN 42 Ca -0.02 -0.46 -0.00 0.00 0.21 0.00 0.00 52.86 52.59 2rng s ASN 42 Cb 0.09 -2.35 -0.02 0.00 -0.55 0.00 0.00 41.25 38.41 2rng s ASN 42 CO 0.31 -0.96 0.32 -1.38 -2.79 0.00 0.00 177.10 172.61 2rng s HIS 43 N 3.15 1.23 0.02 0.43 -3.43 -1.26 -4.80 115.29 110.64 2rng s HIS 43 Ca 0.24 -1.37 -0.30 0.00 -0.80 0.00 0.00 55.06 52.83 2rng s HIS 43 Cb -0.15 -0.38 -0.04 0.00 -1.43 0.00 0.00 32.58 30.58 2rng s HIS 43 CO 0.18 -0.91 1.03 -1.54 -2.00 0.00 0.00 174.74 171.50 2rng s SER 44 N -3.24 7.31 0.50 7.38 1.04 -1.26 -0.76 113.70 124.67 2rng s SER 44 Ca 0.35 1.75 0.01 0.00 0.48 0.00 0.00 55.95 58.55 2rng s SER 44 Cb 0.02 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 2rng s SER 44 CO 0.19 -0.29 0.04 0.00 0.98 0.00 0.00 173.24 174.16 2rng n ALA 46 N -1.21 -1.38 -0.72 0.00 0.00 -1.26 -2.42 120.51 113.51 2rng n ALA 46 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2rng n ALA 46 Cb 0.66 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.83 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 -1.53 0.52 1.75 0.00 0.00 -1.26 -2.70 105.19 101.97 2rng n GLY 47 Ca 0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.98 5.86 -0.01 1.61 4.13 -1.26 -3.89 115.26 119.73 2rng n ASN 48 Ca 0.00 -2.73 -0.01 0.00 1.68 0.00 0.00 54.58 53.52 2rng n ASN 48 Cb 0.00 -1.13 -0.01 0.00 -1.54 0.00 0.00 39.78 37.10 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 1.07 1.36 -4.51 3.52 1.74 -1.10 -5.07 116.66 113.67 2rng n ARG 49 Ca 0.18 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.02 2rng n ARG 49 Cb 0.57 -1.03 -0.11 0.00 -1.02 0.00 0.00 32.46 30.87 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 -3.78 2.12 0.27 -0.13 0.00 -1.02 -4.55 107.32 100.23 2rng s GLY 50 Ca -0.01 -2.07 0.02 0.00 0.00 0.00 0.00 44.72 42.66 2rng s GLY 50 CO 0.04 -1.96 0.13 -0.98 0.00 0.00 0.00 173.10 170.33 2rng s TRP 51 N -2.83 1.52 -0.35 1.90 0.52 -0.89 -1.61 118.94 117.20 2rng s TRP 51 Ca 0.32 -1.29 -0.10 0.00 0.02 0.00 0.00 56.10 55.05 2rng s TRP 51 Cb 0.05 -0.84 0.02 0.00 -1.15 0.00 0.00 33.47 31.55 2rng s TRP 51 CO 0.15 -0.46 0.17 0.00 0.02 0.00 0.00 176.95 176.83 2rng s ARG 53 N 1.54 1.02 0.32 0.00 0.52 -0.82 -4.39 118.95 117.14 2rng s ARG 53 Ca 0.02 -0.77 0.11 0.00 -0.52 0.00 0.00 55.73 54.57 2rng s ARG 53 Cb -0.19 -1.04 0.95 0.00 0.52 0.00 0.00 34.95 35.19 2rng s ARG 53 CO 0.06 0.26 1.69 0.77 0.02 0.00 0.00 175.30 178.10 2rng h SER 54 N 4.99 0.55 -4.94 0.23 0.02 -1.93 -2.31 113.55 110.16 2rng h SER 54 Ca -0.38 0.16 -0.29 0.00 -0.84 0.00 0.00 61.79 60.44 2rng h SER 54 Cb 1.18 0.10 -0.15 0.00 0.14 0.00 0.00 62.40 63.67 2rng h SER 54 CO 0.44 -0.02 -0.63 -0.75 -1.14 0.00 0.00 176.83 174.73 2rng s LYS 55 N -5.74 1.24 0.46 3.45 2.20 -1.26 -4.24 119.74 115.84 2rng s LYS 55 Ca -0.11 -1.65 0.05 0.00 -0.36 0.00 0.00 55.97 53.91 2rng s LYS 55 Cb 0.28 -0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 2rng s LYS 55 CO 0.79 -0.29 0.10 0.00 -0.36 0.00 0.00 175.35 175.59 2rng n PHE 57 N -1.23 -3.90 0.01 0.00 3.01 -1.26 -4.99 117.46 109.10 2rng n PHE 57 Ca -0.08 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.16 2rng n PHE 57 Cb 0.66 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.99 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 0.26 0.00 -1.08 2.43 -2.00 -3.31 114.38 110.68 2rng h ARG 58 Ca 0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2rng h ARG 58 Cb 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2rng h ARG 58 CO 0.00 1.21 0.00 1.58 -1.51 0.00 0.00 179.97 181.25 2rng n HIS 59 N -3.78 0.00 -4.07 2.20 -0.00 -1.26 -4.75 115.22 103.56 2rng n HIS 59 Ca -0.28 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 57.87 2rng n HIS 59 Cb 0.96 -0.06 -0.01 0.00 -0.12 0.00 0.00 29.99 30.76 2rng n HIS 59 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2rng n GLU 60 N -1.06 1.74 -0.44 1.57 1.02 -1.25 -4.65 120.64 117.58 2rng n GLU 60 Ca 0.12 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2rng n GLU 60 Cb 0.08 0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 2rng n GLU 60 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2rng n TYR 61 N -0.11 -0.15 -3.97 -0.32 4.11 -0.99 -4.75 117.16 110.97 2rng n TYR 61 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.58 2rng n TYR 61 Cb 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.25 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 -2.17 2.41 -0.87 -3.48 1.01 -1.26 -2.04 120.40 114.00 2rng s VAL 62 Ca 0.00 -2.87 -0.19 0.00 0.00 0.00 0.00 61.98 58.92 2rng s VAL 62 Cb 0.00 -2.72 -0.22 0.00 0.00 0.00 0.00 36.38 33.44 2rng s VAL 62 CO 0.00 -0.72 2.30 -0.90 0.00 0.00 0.00 175.10 175.78 2rng n ASP 63 N 3.62 0.47 -0.14 3.32 5.68 -0.51 -4.66 116.55 124.33 2rng n ASP 63 Ca 0.05 -1.13 0.26 0.00 -0.50 0.00 0.00 54.79 53.47 2rng n ASP 63 Cb 0.36 -1.21 0.50 0.00 -1.14 0.00 0.00 41.12 39.63 2rng n ASP 63 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2rng h THR 64 N 7.41 0.07 0.00 2.12 1.35 -1.96 0.16 112.91 122.06 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 1.05 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2rng h THR 64 CO 1.25 0.00 -0.00 0.22 -0.25 0.00 0.00 175.52 176.74 2rng h TYR 65 N 0.00 -0.01 -0.00 4.73 5.03 -1.95 -3.16 116.97 121.60 2rng h TYR 65 Ca 0.42 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.73 2rng h TYR 65 Cb 2.53 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.82 2rng h TYR 65 CO 0.00 0.32 -0.20 0.66 -1.32 0.00 0.00 178.16 177.62 2rng n TYR 66 N -4.94 0.00 0.28 -3.82 4.01 0.49 -3.88 117.16 109.30 2rng n TYR 66 Ca -0.08 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.81 2rng n TYR 66 Cb 0.18 -0.19 0.78 0.00 -0.31 0.00 0.00 39.34 39.80 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 0.70 0.00 -0.02 7.72 0.87 -1.34 -1.79 113.55 119.68 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 0.44 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2rng h SER 67 CO 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 176.83 176.27 2rng h ALA 68 N 1.53 0.04 0.00 6.23 0.00 -1.76 -2.81 119.26 122.48 2rng h ALA 68 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2rng h ALA 68 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2rng h ALA 68 CO 0.00 -0.18 -0.34 -0.24 0.00 0.00 0.00 179.25 178.49 2rng h VAL 69 N -0.43 1.04 0.35 0.00 3.04 -1.63 -3.05 116.25 115.56 2rng h VAL 69 Ca 0.00 -1.24 -0.02 0.00 -1.01 0.00 0.00 66.70 64.44 2rng h VAL 69 Cb 0.55 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 2rng h VAL 69 CO 0.01 0.33 -0.17 0.00 -1.01 0.00 0.00 177.57 176.73 2rng n GLY 71 N -1.16 1.27 0.30 0.00 0.00 -1.07 -4.07 105.19 100.47 2rng n GLY 71 Ca -0.10 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.08 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 0.70 0.00 1.61 3.08 -1.90 -3.42 114.38 114.44 2rng h ARG 72 Ca 0.00 -0.04 -0.37 0.00 0.07 0.00 0.00 59.98 59.63 2rng h ARG 72 Cb 0.00 -0.16 0.11 0.00 0.08 0.00 0.00 29.97 30.00 2rng h ARG 72 CO 0.00 0.46 0.23 0.66 -1.07 0.00 0.00 179.97 180.25 2rng n TYR 73 N -4.79 -3.52 -4.95 3.04 4.01 -1.26 -4.95 117.16 104.73 2rng n TYR 73 Ca 0.14 -1.22 -0.29 0.00 -0.16 0.00 0.00 57.90 56.36 2rng n TYR 73 Cb 0.30 -0.74 -0.15 0.00 -0.31 0.00 0.00 39.34 38.44 2rng n TYR 73 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2rng s PHE 74 N -3.02 2.21 -0.74 -0.72 0.08 -0.87 -4.69 117.98 110.23 2rng s PHE 74 Ca 0.60 -0.41 -0.27 0.00 0.12 0.00 0.00 56.93 56.97 2rng s PHE 74 Cb -0.02 -1.35 0.03 0.00 -0.57 0.00 0.00 43.02 41.10 2rng s PHE 74 CO 0.41 0.08 1.33 0.00 -0.10 0.00 0.00 175.22 176.93 2rng n ARG 77 N -2.97 0.70 -3.87 0.00 1.74 -0.87 -2.09 116.66 109.30 2rng n ARG 77 Ca 0.07 -1.43 -0.30 0.00 -0.77 0.00 0.00 57.85 55.42 2rng n ARG 77 Cb 0.56 1.74 -0.12 0.00 -1.02 0.00 0.00 32.46 33.63 2rng n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2rng s SER 78 N -2.30 4.87 0.00 0.55 0.01 -1.26 -2.35 113.70 113.21 2rng s SER 78 Ca 0.11 -3.55 0.00 0.00 1.31 0.00 0.00 55.95 53.82 2rng s SER 78 Cb -0.03 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.51 2rng s SER 78 CO 0.08 -0.16 0.06 -1.14 0.41 0.00 0.00 173.24 172.50