#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 4.11 0.35 1.20 0.04 -1.26 -5.02 135.00 134.42 2rng s PRO 2 Ca 0.00 1.67 0.05 0.00 0.04 0.00 0.00 61.00 62.76 2rng s PRO 2 Cb 0.00 -3.86 0.05 0.00 0.04 0.00 0.00 34.50 30.73 2rng s PRO 2 CO 0.00 -0.88 0.41 1.28 0.04 0.00 0.00 177.00 177.84 2rng n LEU 3 N 7.12 0.00 -4.78 -3.56 4.77 -1.26 -5.08 117.00 114.22 2rng n LEU 3 Ca 0.15 -1.62 -0.37 0.00 -0.03 0.00 0.00 56.01 54.14 2rng n LEU 3 Cb 0.45 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 2rng n LEU 3 CO 0.59 -0.57 0.75 -0.63 -1.33 0.00 0.00 177.39 176.21 2rng s ILE 4 N -1.38 3.65 0.73 -0.08 1.01 -1.26 -5.03 121.20 118.84 2rng s ILE 4 Ca 0.31 1.36 -0.12 0.00 0.00 0.00 0.00 60.65 62.20 2rng s ILE 4 Cb -0.02 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.73 2rng s ILE 4 CO 0.20 0.10 1.11 -2.16 0.00 0.00 0.00 174.94 174.19 2rng s PRO 5 N -2.23 2.63 0.06 2.79 0.04 -1.26 -5.00 135.00 132.04 2rng s PRO 5 Ca 0.54 0.42 -0.08 0.00 0.04 0.00 0.00 61.00 61.92 2rng s PRO 5 Cb -0.25 -2.00 -0.31 0.00 0.04 0.00 0.00 34.50 31.98 2rng s PRO 5 CO 0.31 -1.19 1.08 0.00 0.04 0.00 0.00 177.00 177.25 2rng h ALA 6 N -0.76 0.01 -0.58 8.56 0.00 -1.95 -3.33 119.26 121.20 2rng h ALA 6 Ca -0.45 -0.88 0.12 0.00 0.00 0.00 0.00 54.91 53.69 2rng h ALA 6 Cb 1.27 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 2rng h ALA 6 CO 0.64 0.88 0.04 0.97 0.00 0.00 0.00 179.25 181.78 2rng h ILE 7 N 0.10 0.56 -0.97 0.00 2.10 -1.94 0.55 117.51 117.91 2rng h ILE 7 Ca -0.18 -0.05 0.24 0.00 1.08 0.00 0.00 64.86 65.94 2rng h ILE 7 Cb 2.05 0.40 -0.07 0.00 -1.09 0.00 0.00 36.82 38.10 2rng h ILE 7 CO 0.23 0.03 0.64 1.88 -1.08 0.00 0.00 178.15 179.85 2rng h TYR 8 N 0.16 0.53 -2.77 2.19 -1.99 -1.95 -3.23 116.97 109.90 2rng h TYR 8 Ca 0.30 0.02 -0.56 0.00 2.00 0.00 0.00 58.73 60.49 2rng h TYR 8 Cb 0.47 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 39.02 2rng h TYR 8 CO -0.32 0.10 1.11 0.42 -0.00 0.00 0.00 178.16 179.47 2rng s ILE 9 N -5.40 3.73 -0.29 -2.88 1.01 0.18 -1.57 121.20 115.98 2rng s ILE 9 Ca -0.08 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.40 2rng s ILE 9 Cb 0.24 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2rng s ILE 9 CO 0.79 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2rng n GLY 10 N 4.55 0.29 0.00 6.18 0.00 0.61 -4.96 105.19 111.86 2rng n GLY 10 Ca 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.85 0.00 -3.29 4.61 0.00 -0.61 -4.90 120.51 115.48 2rng n ALA 11 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 2rng n ALA 11 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 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 0.73 -0.65 0.54 0.00 2.01 -1.26 -1.66 115.64 115.34 2rng s THR 12 Ca 0.00 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2rng s THR 12 Cb 0.00 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 71.93 2rng s THR 12 CO 0.00 -0.30 0.76 0.68 -0.69 0.00 0.00 174.62 175.07 2rng s VAL 13 N 1.97 2.85 0.00 3.82 -7.23 0.74 -4.72 120.40 117.82 2rng s VAL 13 Ca 0.14 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 2rng s VAL 13 Cb -0.11 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2rng s VAL 13 CO -0.14 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2rng n GLY 14 N -2.30 -0.01 0.12 2.32 0.00 -1.16 0.94 105.19 105.10 2rng n GLY 14 Ca 0.07 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.18 -0.28 1.61 0.13 -1.75 -2.46 132.00 129.07 2rng h PRO 15 Ca 0.00 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.20 2rng h PRO 15 Cb 0.00 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.11 2rng h PRO 15 CO 0.00 0.00 -0.12 1.03 -0.23 0.00 0.00 178.00 178.68 2rng h SER 16 N -1.03 -0.42 -0.33 1.44 0.87 -1.94 -2.02 113.55 110.12 2rng h SER 16 Ca -0.02 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2rng h SER 16 Cb 0.27 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2rng h SER 16 CO 0.03 -0.16 0.22 0.58 -0.53 0.00 0.00 176.83 176.97 2rng h VAL 17 N -0.08 1.08 -0.02 2.23 2.07 -1.94 -2.64 116.25 116.95 2rng h VAL 17 Ca 0.15 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2rng h VAL 17 Cb 0.30 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2rng h VAL 17 CO -0.33 0.08 -0.24 -0.25 0.02 0.00 0.00 177.57 176.84 2rng h TRP 18 N 0.45 -0.72 -0.99 1.57 7.01 -0.88 -0.14 115.95 122.25 2rng h TRP 18 Ca 0.12 0.02 0.35 0.00 2.11 0.00 0.00 58.89 61.50 2rng h TRP 18 Cb -0.05 0.32 -0.17 0.00 -2.10 0.00 0.00 29.16 27.16 2rng h TRP 18 CO -0.06 -0.26 0.43 0.00 -2.79 0.00 0.00 178.44 175.77 2rng h ALA 19 N -0.98 1.85 0.72 2.65 0.00 -1.31 -0.16 119.26 122.02 2rng h ALA 19 Ca 0.01 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2rng h ALA 19 Cb 0.32 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2rng h ALA 19 CO -0.17 -0.73 -0.37 -0.92 0.00 0.00 0.00 179.25 177.05 2rng h TYR 20 N 0.12 -0.98 -0.75 0.00 5.03 -0.69 -1.44 116.97 118.27 2rng h TYR 20 Ca 0.74 -0.02 0.13 0.00 2.58 0.00 0.00 58.73 62.17 2rng h TYR 20 Cb 1.80 0.33 -0.14 0.00 1.55 0.00 0.00 36.73 40.27 2rng h TYR 20 CO -0.12 -0.59 -0.30 1.25 -1.32 0.00 0.00 178.16 177.09 2rng h LEU 21 N -1.00 -1.08 -0.84 2.82 6.46 -0.09 0.59 115.31 122.17 2rng h LEU 21 Ca -0.10 0.25 0.14 0.00 -0.12 0.00 0.00 57.88 58.05 2rng h LEU 21 Cb 0.78 0.59 -0.09 0.00 -0.73 0.00 0.00 40.66 41.20 2rng h LEU 21 CO 0.14 -0.29 0.43 0.58 -0.62 0.00 0.00 178.44 178.69 2rng h VAL 22 N -0.07 0.74 -0.72 1.05 2.07 -1.20 0.80 116.25 118.91 2rng h VAL 22 Ca 0.31 -0.21 0.14 0.00 0.82 0.00 0.00 66.70 67.76 2rng h VAL 22 Cb 0.57 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.31 2rng h VAL 22 CO -0.80 0.11 0.24 0.00 0.02 0.00 0.00 177.57 177.15 2rng h ALA 23 N 1.55 0.98 0.00 1.67 0.00 0.13 0.49 119.26 124.08 2rng h ALA 23 Ca 0.45 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.40 2rng h ALA 23 Cb 0.63 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2rng h ALA 23 CO -0.36 -0.26 -0.44 1.25 0.00 0.00 0.00 179.25 179.44 2rng h LEU 24 N 0.36 0.00 0.00 0.00 5.85 -0.52 -3.43 115.31 117.57 2rng h LEU 24 Ca 0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2rng h LEU 24 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2rng h LEU 24 CO -0.43 0.44 0.00 1.33 -0.34 0.00 0.00 178.44 179.43 2rng n VAL 25 N -3.64 0.00 -3.43 1.05 0.24 0.13 -5.01 118.33 107.68 2rng n VAL 25 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2rng n VAL 25 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 2rng n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rng n GLY 26 N 3.96 -1.39 0.09 7.63 0.00 0.95 -4.92 105.19 111.50 2rng n GLY 26 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.07 -0.71 4.61 0.00 -1.97 -1.78 119.26 119.33 2rng h ALA 27 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2rng h ALA 27 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2rng h ALA 27 CO 0.00 -0.15 0.47 0.00 0.00 0.00 0.00 179.25 179.57 2rng h ALA 28 N -0.13 1.62 -0.00 0.00 0.00 -1.99 0.03 119.26 118.79 2rng h ALA 28 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2rng h ALA 28 Cb 0.64 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2rng h ALA 28 CO 0.01 0.30 -0.00 0.00 0.00 0.00 0.00 179.25 179.56 2rng h ALA 29 N 1.59 0.00 0.00 0.00 0.00 -1.92 -2.22 119.26 116.72 2rng h ALA 29 Ca 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2rng h ALA 29 Cb 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2rng h ALA 29 CO -0.08 -0.26 -0.03 0.28 0.00 0.00 0.00 179.25 179.16 2rng h VAL 30 N -0.46 0.19 0.23 0.00 2.07 -0.89 -1.81 116.25 115.58 2rng h VAL 30 Ca 0.00 -0.21 -0.32 0.00 0.82 0.00 0.00 66.70 67.00 2rng h VAL 30 Cb 0.48 1.17 0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2rng h VAL 30 CO 0.00 0.02 -1.38 0.74 0.02 0.00 0.00 177.57 176.98 2rng h THR 31 N 0.00 1.31 0.00 2.57 2.02 -0.78 -2.99 112.91 115.04 2rng h THR 31 Ca -0.00 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.53 2rng h THR 31 Cb 0.16 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 2rng h THR 31 CO 0.00 0.79 0.00 0.00 0.37 0.00 0.00 175.52 176.68 2rng h ALA 32 N 0.15 1.00 -0.40 6.16 0.00 -0.93 -2.98 119.26 122.26 2rng h ALA 32 Ca -0.24 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2rng h ALA 32 Cb 2.08 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.79 2rng h ALA 32 CO 0.26 0.00 0.17 0.00 0.00 0.00 0.00 179.25 179.68 2rng n ALA 33 N -1.93 3.66 -3.82 0.00 0.00 -0.72 -4.91 120.51 112.78 2rng n ALA 33 Ca 0.03 -1.23 -0.29 0.00 0.00 0.00 0.00 53.44 51.95 2rng n ALA 33 Cb 0.37 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.01 -4.85 -4.28 0.00 2.85 -1.12 -1.43 115.26 106.41 2rng n ASN 34 Ca 0.22 -1.01 -0.37 0.00 -0.11 0.00 0.00 54.58 53.32 2rng n ASN 34 Cb 0.92 -1.93 -0.13 0.00 1.24 0.00 0.00 39.78 39.88 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 -3.15 3.67 -0.08 -1.44 -1.09 -1.13 -0.29 121.20 117.70 2rng s ILE 35 Ca 0.15 -0.97 -0.10 0.00 -2.23 0.00 0.00 60.65 57.50 2rng s ILE 35 Cb -0.08 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 2rng s ILE 35 CO 0.91 -0.03 0.24 -0.13 -1.23 0.00 0.00 174.94 174.70 2rng s ARG 36 N 1.42 3.64 0.36 2.79 0.52 -0.67 -4.89 118.95 122.12 2rng s ARG 36 Ca -0.00 0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 55.20 2rng s ARG 36 Cb -0.18 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 2rng s ARG 36 CO 0.01 0.72 0.66 1.03 0.02 0.00 0.00 175.30 177.75 2rng s ARG 37 N -0.97 3.67 0.11 3.54 0.52 -1.25 -0.19 118.95 124.38 2rng s ARG 37 Ca 0.18 0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.60 2rng s ARG 37 Cb -0.14 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 2rng s ARG 37 CO 0.07 0.06 -0.09 0.00 0.02 0.00 0.00 175.30 175.37 2rng s ALA 38 N -2.29 1.13 0.48 2.13 0.00 0.27 -4.82 121.76 118.67 2rng s ALA 38 Ca 0.47 -1.31 0.33 0.00 0.00 0.00 0.00 51.96 51.45 2rng s ALA 38 Cb -0.10 0.08 1.45 0.00 0.00 0.00 0.00 23.12 24.54 2rng s ALA 38 CO 0.33 -0.12 1.70 1.03 0.00 0.00 0.00 175.76 178.70 2rng h SER 39 N 3.18 0.17 0.00 0.00 0.87 -1.88 -3.07 113.55 112.83 2rng h SER 39 Ca -0.36 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2rng h SER 39 Cb 1.18 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2rng h SER 39 CO 0.59 -0.04 0.00 -0.24 -0.53 0.00 0.00 176.83 176.62 2rng n SER 40 N -4.40 0.00 0.00 6.23 2.88 -1.26 -4.55 113.62 112.52 2rng n SER 40 Ca 0.32 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.95 2rng n SER 40 Cb 1.35 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 65.26 2rng n SER 40 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rng n ASP 41 N 0.00 0.00 -4.31 -3.46 8.00 -1.26 -2.96 116.55 112.56 2rng n ASP 41 Ca 0.00 0.05 -0.43 0.00 0.71 0.00 0.00 54.79 55.12 2rng n ASP 41 Cb 0.00 -0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 40.73 2rng n ASP 41 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2rng s ASN 42 N -2.59 5.98 0.20 -2.24 2.47 -1.26 -4.45 114.94 113.04 2rng s ASN 42 Ca 0.16 -1.61 0.01 0.00 0.42 0.00 0.00 52.86 51.84 2rng s ASN 42 Cb 0.12 -2.12 -0.00 0.00 -1.45 0.00 0.00 41.25 37.80 2rng s ASN 42 CO 0.27 -0.70 0.24 0.00 -3.72 0.00 0.00 177.10 173.19 2rng n HIS 43 N 5.11 -0.84 -3.06 0.43 1.44 -1.26 -4.72 115.22 112.31 2rng n HIS 43 Ca -0.12 -1.41 -0.40 0.00 -2.01 0.00 0.00 57.72 53.79 2rng n HIS 43 Cb 0.42 0.27 -0.05 0.00 0.12 0.00 0.00 29.99 30.75 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 -2.26 6.95 0.47 4.39 1.04 -1.26 -0.62 113.70 122.42 2rng s SER 44 Ca 0.18 1.15 0.02 0.00 0.48 0.00 0.00 55.95 57.79 2rng s SER 44 Cb -0.00 -2.40 -0.02 0.00 0.10 0.00 0.00 66.02 63.70 2rng s SER 44 CO 0.13 -0.13 0.05 0.00 0.98 0.00 0.00 173.24 174.27 2rng n ALA 46 N -1.12 -1.66 -0.61 0.00 0.00 -1.26 -2.23 120.51 113.63 2rng n ALA 46 Ca -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2rng n ALA 46 Cb 0.66 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.74 0.18 1.57 0.00 0.00 -1.26 -2.89 105.19 101.05 2rng n GLY 47 Ca -0.13 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.67 4.64 -0.02 1.61 0.23 -1.26 -3.84 115.26 114.95 2rng n ASN 48 Ca 0.00 -2.67 -0.02 0.00 -0.53 0.00 0.00 54.58 51.36 2rng n ASN 48 Cb 0.00 -0.84 -0.03 0.00 -2.08 0.00 0.00 39.78 36.83 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2rng n ARG 49 N 0.36 3.13 -4.43 -3.83 1.74 -1.14 -5.05 116.66 107.44 2rng n ARG 49 Ca 0.19 -0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 2rng n ARG 49 Cb 0.71 -1.11 -0.09 0.00 -1.02 0.00 0.00 32.46 30.95 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 -3.57 2.06 0.30 -0.13 0.00 -0.95 -4.51 107.32 100.51 2rng s GLY 50 Ca -0.02 -1.97 0.05 0.00 0.00 0.00 0.00 44.72 42.77 2rng s GLY 50 CO 0.17 -1.95 0.25 -0.98 0.00 0.00 0.00 173.10 170.59 2rng s TRP 51 N -2.54 1.60 -0.25 1.90 0.52 -0.93 -1.73 118.94 117.52 2rng s TRP 51 Ca 0.33 -1.59 -0.02 0.00 0.02 0.00 0.00 56.10 54.84 2rng s TRP 51 Cb -0.00 -0.66 0.02 0.00 -1.15 0.00 0.00 33.47 31.68 2rng s TRP 51 CO 0.18 -0.82 -0.05 0.00 0.02 0.00 0.00 176.95 176.28 2rng s ARG 53 N 1.34 1.02 0.10 0.00 3.00 -0.85 -4.39 118.95 119.18 2rng s ARG 53 Ca 0.00 -1.40 -0.26 0.00 0.00 0.00 0.00 55.73 54.07 2rng s ARG 53 Cb -0.17 -0.60 -0.11 0.00 0.00 0.00 0.00 34.95 34.07 2rng s ARG 53 CO -0.04 0.07 1.68 0.66 0.00 0.00 0.00 175.30 177.68 2rng h SER 54 N 2.91 -0.41 -3.73 0.23 4.64 -1.94 -2.75 113.55 112.49 2rng h SER 54 Ca -0.37 0.04 -0.23 0.00 -0.47 0.00 0.00 61.79 60.77 2rng h SER 54 Cb 1.19 0.15 -0.28 0.00 -0.31 0.00 0.00 62.40 63.15 2rng h SER 54 CO 0.62 -0.23 -0.69 -0.75 -0.87 0.00 0.00 176.83 174.91 2rng s LYS 55 N -6.13 0.03 0.31 4.77 2.20 -1.26 -4.51 119.74 115.15 2rng s LYS 55 Ca -0.15 0.04 0.07 0.00 -0.36 0.00 0.00 55.97 55.57 2rng s LYS 55 Cb 0.07 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2rng s LYS 55 CO 0.65 -0.01 0.29 0.00 -0.36 0.00 0.00 175.35 175.93 2rng n PHE 57 N -1.36 -1.71 0.06 0.00 3.72 -1.26 -4.95 117.46 111.96 2rng n PHE 57 Ca -0.03 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.16 2rng n PHE 57 Cb 0.59 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.98 2rng n PHE 57 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2rng h ARG 58 N 0.00 0.33 -0.64 -1.08 2.43 -2.00 -3.22 114.38 110.21 2rng h ARG 58 Ca 0.00 -0.57 0.19 0.00 -0.81 0.00 0.00 59.98 58.79 2rng h ARG 58 Cb 0.00 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2rng h ARG 58 CO 0.00 1.27 0.85 0.45 -1.51 0.00 0.00 179.97 181.03 2rng h HIS 59 N -0.28 0.00 -1.58 2.20 3.86 -1.97 -3.40 115.15 113.99 2rng h HIS 59 Ca -0.18 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.41 2rng h HIS 59 Cb 1.74 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 30.08 2rng h HIS 59 CO 0.18 0.00 -0.50 -1.21 0.86 0.00 0.00 177.93 177.26 2rng s GLU 60 N -4.43 2.09 0.00 2.45 0.41 -1.22 -4.56 118.70 113.44 2rng s GLU 60 Ca -0.03 -2.32 0.00 0.00 -0.41 0.00 0.00 54.97 52.21 2rng s GLU 60 Cb 0.13 -0.97 0.00 0.00 -1.78 0.00 0.00 34.13 31.51 2rng s GLU 60 CO 0.44 -0.48 0.00 2.48 -0.49 0.00 0.00 175.26 177.21 2rng n TYR 61 N -1.11 0.00 -3.75 1.61 4.11 -0.54 -4.60 117.16 112.88 2rng n TYR 61 Ca -0.13 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.43 2rng n TYR 61 Cb 0.66 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.90 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 -1.13 3.63 -0.91 -3.48 1.01 -1.26 -2.15 120.40 116.10 2rng s VAL 62 Ca 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 61.98 58.54 2rng s VAL 62 Cb 0.00 -3.35 -0.30 0.00 0.00 0.00 0.00 36.38 32.72 2rng s VAL 62 CO 0.00 -0.93 1.99 -0.67 0.00 0.00 0.00 175.10 175.50 2rng n ASP 63 N 3.03 -1.25 0.19 3.32 -0.08 0.42 -4.65 116.55 117.52 2rng n ASP 63 Ca 0.12 -0.46 0.18 0.00 -1.51 0.00 0.00 54.79 53.11 2rng n ASP 63 Cb 0.37 -0.51 0.82 0.00 2.34 0.00 0.00 41.12 44.14 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 6.44 0.43 0.06 5.18 1.35 -1.95 -0.26 112.91 124.16 2rng h THR 64 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.89 2rng h THR 64 Cb 1.04 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2rng h THR 64 CO 1.47 0.00 -0.03 0.22 -0.25 0.00 0.00 175.52 176.93 2rng h TYR 65 N 0.00 -0.08 -0.00 4.73 3.20 -1.93 -3.20 116.97 119.70 2rng h TYR 65 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2rng h TYR 65 Cb 0.60 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2rng h TYR 65 CO 0.00 0.42 -0.05 0.66 -1.64 0.00 0.00 178.16 177.55 2rng n TYR 66 N -4.88 0.00 0.30 -3.82 4.01 -0.81 -3.68 117.16 108.28 2rng n TYR 66 Ca -0.09 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.79 2rng n TYR 66 Cb 0.27 -0.30 0.72 0.00 -0.31 0.00 0.00 39.34 39.72 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 0.12 0.00 -0.11 7.72 0.02 -1.06 -1.05 113.55 119.19 2rng h SER 67 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2rng h SER 67 Cb 0.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 2rng h SER 67 CO 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 176.83 175.56 2rng h ALA 68 N 1.32 0.16 0.00 3.77 0.00 -1.78 -2.76 119.26 119.97 2rng h ALA 68 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2rng h ALA 68 Cb 0.65 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2rng h ALA 68 CO 0.00 0.03 -0.24 -0.24 0.00 0.00 0.00 179.25 178.80 2rng h VAL 69 N -0.13 0.60 0.49 0.00 3.04 -1.49 -3.23 116.25 115.52 2rng h VAL 69 Ca 0.02 -1.17 -0.02 0.00 -1.01 0.00 0.00 66.70 64.51 2rng h VAL 69 Cb 0.66 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2rng h VAL 69 CO 0.03 0.24 -0.23 0.00 -1.01 0.00 0.00 177.57 176.59 2rng n GLY 71 N -0.38 1.01 0.38 0.00 0.00 -1.05 -4.13 105.19 101.02 2rng n GLY 71 Ca -0.10 -1.06 0.16 0.00 0.00 0.00 0.00 46.02 45.02 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 0.55 0.00 1.61 -0.00 -1.91 -3.41 114.38 111.22 2rng h ARG 72 Ca 0.00 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.98 59.29 2rng h ARG 72 Cb 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 29.97 29.88 2rng h ARG 72 CO 0.00 0.37 0.05 0.66 0.00 0.00 0.00 179.97 181.05 2rng n TYR 73 N -4.58 -3.32 -4.52 3.04 4.02 -1.26 -5.00 117.16 105.55 2rng n TYR 73 Ca 0.19 -0.59 -0.21 0.00 -0.01 0.00 0.00 57.90 57.28 2rng n TYR 73 Cb 0.60 -0.27 -0.14 0.00 -0.02 0.00 0.00 39.34 39.51 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 -1.07 1.23 -0.75 -0.72 0.08 -1.04 -4.71 117.98 111.00 2rng s PHE 74 Ca 0.24 -0.28 -0.27 0.00 0.12 0.00 0.00 56.93 56.74 2rng s PHE 74 Cb -0.01 -0.77 0.03 0.00 -0.57 0.00 0.00 43.02 41.70 2rng s PHE 74 CO 0.16 0.00 1.31 0.00 -0.10 0.00 0.00 175.22 176.60 2rng s ARG 77 N -5.35 1.82 -0.95 0.00 0.52 -0.91 -2.18 118.95 111.89 2rng s ARG 77 Ca 0.59 -1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 54.61 2rng s ARG 77 Cb -0.12 0.57 0.26 0.00 0.52 0.00 0.00 34.95 36.18 2rng s ARG 77 CO 0.52 -0.82 1.00 0.43 0.02 0.00 0.00 175.30 176.46 2rng n SER 78 N -0.65 4.90 0.00 0.23 7.64 -1.26 -1.47 113.62 123.01 2rng n SER 78 Ca -0.04 -3.23 0.00 0.00 1.01 0.00 0.00 58.87 56.62 2rng n SER 78 Cb 0.60 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2rng n SER 78 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89