#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p84 s SER 32 N 0.00 6.81 0.47 3.14 0.15 -1.26 -4.95 113.70 118.05 1p84 s SER 32 Ca 0.00 0.97 0.32 0.00 0.70 0.00 0.00 55.95 57.94 1p84 s SER 32 Cb 0.00 -2.35 1.63 0.00 -1.71 0.00 0.00 66.02 63.59 1p84 s SER 32 CO 0.00 -0.08 1.97 0.71 1.20 0.00 0.00 173.24 177.04 1p84 h THR 33 N 4.80 0.00 0.00 6.45 1.35 -2.10 -1.74 112.91 121.68 1p84 h THR 33 Ca -0.40 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1p84 h THR 33 Cb 1.18 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1p84 h THR 33 CO 0.76 0.00 0.00 1.88 -0.25 0.00 0.00 175.52 177.91 1p84 h TYR 34 N 0.00 0.00 -2.27 4.73 0.05 -2.08 -3.40 116.97 114.00 1p84 h TYR 34 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.10 1p84 h TYR 34 Cb 0.13 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 37.70 1p84 h TYR 34 CO 0.00 0.00 0.92 1.03 -1.05 0.00 0.00 178.16 179.06 1p84 s ARG 35 N -3.31 3.62 0.14 4.88 0.52 -0.66 -5.01 118.95 119.14 1p84 s ARG 35 Ca 0.06 -1.74 -0.31 0.00 -0.52 0.00 0.00 55.73 53.21 1p84 s ARG 35 Cb 0.07 -4.97 -0.11 0.00 0.52 0.00 0.00 34.95 30.46 1p84 s ARG 35 CO 0.63 -1.81 1.80 0.99 0.02 0.00 0.00 175.30 176.92 1p84 s THR 36 N 2.84 2.42 1.12 0.02 2.01 -1.26 -4.94 115.64 117.86 1p84 s THR 36 Ca 0.34 0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.23 1p84 s THR 36 Cb -0.04 -3.03 0.15 0.00 0.01 0.00 0.00 72.50 69.59 1p84 s THR 36 CO -0.09 0.00 0.36 -0.81 -0.69 0.00 0.00 174.62 173.39 1p84 n PRO 37 N 5.26 -1.72 -2.57 4.92 -0.04 -1.26 -4.92 135.00 134.67 1p84 n PRO 37 Ca 0.17 -0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 62.74 1p84 n PRO 37 Cb 0.37 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1p84 n PRO 37 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1p84 s ASN 38 N -2.04 7.27 -0.00 3.54 3.84 -1.26 -4.91 114.94 121.38 1p84 s ASN 38 Ca 0.60 1.89 0.01 0.00 0.21 0.00 0.00 52.86 55.57 1p84 s ASN 38 Cb -0.17 -2.58 0.01 0.00 -0.55 0.00 0.00 41.25 37.96 1p84 s ASN 38 CO 0.66 -0.29 0.80 0.49 -2.79 0.00 0.00 177.10 175.97 1p84 n PHE 39 N 3.39 0.00 -0.32 0.43 3.01 -1.26 -4.85 117.46 117.85 1p84 n PHE 39 Ca 0.06 -0.30 0.10 0.00 1.01 0.00 0.00 57.45 58.32 1p84 n PHE 39 Cb 0.48 -0.03 0.28 0.00 -0.01 0.00 0.00 39.48 40.20 1p84 n PHE 39 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1p84 h ASP 40 N 0.00 0.64 0.18 4.37 3.32 -1.92 -0.56 116.42 122.45 1p84 h ASP 40 Ca 0.00 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1p84 h ASP 40 Cb 0.74 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 1p84 h ASP 40 CO 0.00 0.23 -0.09 -2.24 -1.72 0.00 0.00 179.24 175.42 1p84 h ASP 41 N 0.67 0.00 0.03 6.45 -0.00 -2.03 -3.23 116.42 118.32 1p84 h ASP 41 Ca 0.53 0.00 -0.38 0.00 -0.00 0.00 0.00 57.03 57.18 1p84 h ASP 41 Cb 0.80 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 40.08 1p84 h ASP 41 CO -0.39 0.09 -2.22 0.52 -0.00 0.00 0.00 179.24 177.24 1p84 n VAL 42 N -3.91 1.58 -1.79 4.15 0.31 -0.38 -4.98 118.33 113.31 1p84 n VAL 42 Ca -0.02 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.40 1p84 n VAL 42 Cb 0.18 -1.67 -0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1p84 n VAL 42 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1p84 s LEU 43 N -7.01 4.32 -0.06 7.52 1.43 -0.36 -5.00 118.68 119.52 1p84 s LEU 43 Ca -0.32 3.05 -0.18 0.00 -1.03 0.00 0.00 54.13 55.66 1p84 s LEU 43 Cb 0.09 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 1p84 s LEU 43 CO 0.62 -0.89 0.48 -1.59 0.23 0.00 0.00 176.35 175.21 1p84 s LYS 44 N -1.95 4.23 -0.59 1.70 -2.85 -1.26 -4.94 119.74 114.08 1p84 s LYS 44 Ca 0.54 0.51 -0.26 0.00 -1.00 0.00 0.00 55.97 55.75 1p84 s LYS 44 Cb -0.47 -3.35 -0.06 0.00 -2.06 0.00 0.00 37.83 31.89 1p84 s LYS 44 CO 0.62 0.36 2.19 -2.00 0.10 0.00 0.00 175.35 176.61 1p84 s GLU 45 N -0.04 2.26 -0.89 1.78 2.12 -1.26 -4.83 118.70 117.84 1p84 s GLU 45 Ca 0.26 0.94 -0.26 0.00 0.36 0.00 0.00 54.97 56.27 1p84 s GLU 45 Cb -0.16 -4.56 -0.18 0.00 0.26 0.00 0.00 34.13 29.49 1p84 s GLU 45 CO 0.13 -3.20 2.31 0.09 -0.54 0.00 0.00 175.26 174.04 1p84 n ASN 46 N 14.94 1.61 -0.05 -1.70 3.02 -1.26 -4.42 115.26 127.39 1p84 n ASN 46 Ca 0.32 -1.84 -0.05 0.00 -0.03 0.00 0.00 54.58 52.98 1p84 n ASN 46 Cb 0.52 -1.68 -0.07 0.00 -0.61 0.00 0.00 39.78 37.94 1p84 n ASN 46 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1p84 n ASN 47 N 19.12 2.71 -3.91 6.41 3.02 -1.26 -4.77 115.26 136.58 1p84 n ASN 47 Ca 0.45 -0.01 -0.30 0.00 -0.03 0.00 0.00 54.58 54.68 1p84 n ASN 47 Cb 0.44 0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 40.04 1p84 n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p84 s ASP 48 N -4.36 4.40 0.11 6.41 3.68 -1.26 -5.00 116.67 120.64 1p84 s ASP 48 Ca -0.07 -2.29 -0.21 0.00 2.13 0.00 0.00 52.55 52.12 1p84 s ASP 48 Cb 0.03 -1.41 -0.09 0.00 -1.45 0.00 0.00 42.92 40.00 1p84 s ASP 48 CO 0.37 -0.34 1.74 0.00 0.13 0.00 0.00 175.17 177.07 1p84 h ALA 49 N 7.37 0.19 -0.41 3.66 0.00 -1.94 -3.17 119.26 124.97 1p84 h ALA 49 Ca -0.06 -0.03 -0.42 0.00 0.00 0.00 0.00 54.91 54.40 1p84 h ALA 49 Cb 0.98 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 1p84 h ALA 49 CO 0.54 -0.31 0.21 -0.25 0.00 0.00 0.00 179.25 179.44 1p84 n ASP 50 N -4.97 6.18 -0.09 0.00 10.43 -1.26 -4.41 116.55 122.43 1p84 n ASP 50 Ca -0.04 -3.03 -0.15 0.00 2.57 0.00 0.00 54.79 54.14 1p84 n ASP 50 Cb 0.04 -1.27 -0.07 0.00 1.84 0.00 0.00 41.12 41.67 1p84 n ASP 50 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1p84 n LYS 51 N 1.23 0.52 0.05 -1.24 0.00 -1.20 -3.62 118.16 113.90 1p84 n LYS 51 Ca 0.47 0.50 -0.01 0.00 0.00 0.00 0.00 58.31 59.27 1p84 n LYS 51 Cb 0.64 -1.68 0.27 0.00 0.00 0.00 0.00 35.03 34.25 1p84 n LYS 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1p84 h GLY 52 N -1.00 0.43 0.97 3.14 0.00 -1.86 -2.80 103.07 101.95 1p84 h GLY 52 Ca -0.22 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1p84 h GLY 52 CO -0.13 0.29 0.09 -0.09 0.00 0.00 0.00 176.54 176.70 1p84 h ARG 53 N 0.36 0.77 -0.50 4.80 2.43 -1.85 -0.87 114.38 119.53 1p84 h ARG 53 Ca 0.06 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 1p84 h ARG 53 Cb 0.55 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1p84 h ARG 53 CO 0.04 0.77 -0.04 0.77 -1.51 0.00 0.00 179.97 180.00 1p84 h SER 54 N 0.64 0.84 -0.03 -3.80 0.02 -1.59 -0.95 113.55 108.67 1p84 h SER 54 Ca 0.14 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1p84 h SER 54 Cb 0.36 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1p84 h SER 54 CO 0.01 0.92 -0.05 1.88 -1.14 0.00 0.00 176.83 178.45 1p84 h TYR 55 N 0.79 0.11 -0.51 3.45 0.05 -1.38 -1.96 116.97 117.52 1p84 h TYR 55 Ca 0.14 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.89 1p84 h TYR 55 Cb 0.53 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1p84 h TYR 55 CO 0.03 0.60 0.34 0.00 -1.05 0.00 0.00 178.16 178.08 1p84 h ALA 56 N 0.49 0.65 -0.02 3.88 0.00 -1.14 -0.79 119.26 122.34 1p84 h ALA 56 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1p84 h ALA 56 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1p84 h ALA 56 CO 0.01 0.09 -0.41 1.88 0.00 0.00 0.00 179.25 180.81 1p84 h TYR 57 N 0.69 0.04 -0.07 0.00 -1.99 -1.22 -0.83 116.97 113.59 1p84 h TYR 57 Ca 0.19 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.87 1p84 h TYR 57 Cb -0.07 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.65 1p84 h TYR 57 CO -0.04 0.45 -0.10 0.35 -0.00 0.00 0.00 178.16 178.82 1p84 h PHE 58 N 0.03 0.23 0.13 4.88 3.57 -0.86 -1.72 116.94 123.20 1p84 h PHE 58 Ca -0.00 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.44 1p84 h PHE 58 Cb 0.75 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1p84 h PHE 58 CO 0.00 0.67 -0.35 0.52 -2.23 0.00 0.00 178.31 176.92 1p84 h MET 59 N -0.27 -0.56 -0.93 1.11 2.86 -0.94 0.20 114.93 116.40 1p84 h MET 59 Ca 0.01 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1p84 h MET 59 Cb 0.64 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.36 1p84 h MET 59 CO 0.02 -0.37 0.58 0.28 1.06 0.00 0.00 176.91 178.48 1p84 h VAL 60 N -0.58 1.02 -0.44 -2.22 2.07 -1.22 -0.43 116.25 114.45 1p84 h VAL 60 Ca 0.03 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1p84 h VAL 60 Cb 0.61 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1p84 h VAL 60 CO -0.20 0.19 0.08 1.23 0.02 0.00 0.00 177.57 178.89 1p84 h GLY 61 N 1.03 0.78 1.42 2.17 0.00 -0.51 -0.82 103.07 107.14 1p84 h GLY 61 Ca 0.42 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 1p84 h GLY 61 CO -0.20 0.48 -0.26 0.00 0.00 0.00 0.00 176.54 176.56 1p84 h ALA 62 N 0.95 0.93 -0.65 3.60 0.00 -0.19 -1.10 119.26 122.80 1p84 h ALA 62 Ca 0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1p84 h ALA 62 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1p84 h ALA 62 CO 0.01 0.61 0.31 1.98 0.00 0.00 0.00 179.25 182.16 1p84 h MET 63 N 0.58 0.93 -0.59 0.00 4.05 -0.81 -1.33 114.93 117.76 1p84 h MET 63 Ca 0.08 -0.14 -0.09 0.00 -0.28 0.00 0.00 59.70 59.27 1p84 h MET 63 Cb 0.75 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1p84 h MET 63 CO 0.06 0.74 0.02 0.78 0.23 0.00 0.00 176.91 178.74 1p84 h GLY 64 N 0.89 1.10 0.89 1.39 0.00 -0.86 -1.38 103.07 105.10 1p84 h GLY 64 Ca 0.22 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1p84 h GLY 64 CO -0.03 0.71 -0.43 -2.00 0.00 0.00 0.00 176.54 174.80 1p84 h LEU 65 N 0.94 -1.02 -1.54 3.11 7.12 -0.75 -1.99 115.31 121.18 1p84 h LEU 65 Ca 0.17 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.21 1p84 h LEU 65 Cb 0.51 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.89 1p84 h LEU 65 CO 0.02 -0.72 0.23 -0.07 -0.13 0.00 0.00 178.44 177.78 1p84 h LEU 66 N -1.22 0.47 -0.51 2.25 3.38 -1.28 -2.37 115.31 116.02 1p84 h LEU 66 Ca -0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1p84 h LEU 66 Cb 0.92 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1p84 h LEU 66 CO 0.20 0.37 0.09 0.28 0.09 0.00 0.00 178.44 179.47 1p84 h SER 67 N 0.54 0.81 -0.47 -0.43 0.02 -1.19 -1.05 113.55 111.78 1p84 h SER 67 Ca 0.14 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 1p84 h SER 67 Cb -0.00 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1p84 h SER 67 CO -0.03 0.86 -0.06 0.28 -1.14 0.00 0.00 176.83 176.74 1p84 h SER 68 N 0.72 0.90 -0.55 3.07 0.02 -0.98 -0.43 113.55 116.30 1p84 h SER 68 Ca 0.16 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1p84 h SER 68 Cb 0.39 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1p84 h SER 68 CO 0.01 1.00 0.06 0.00 -1.14 0.00 0.00 176.83 176.75 1p84 h ALA 69 N 1.09 0.74 -0.16 3.77 0.00 -1.28 -1.11 119.26 122.31 1p84 h ALA 69 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1p84 h ALA 69 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1p84 h ALA 69 CO 0.04 0.51 0.04 0.78 0.00 0.00 0.00 179.25 180.61 1p84 h GLY 70 N 0.82 0.27 0.72 0.00 0.00 -0.92 -1.38 103.07 102.58 1p84 h GLY 70 Ca 0.16 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.38 1p84 h GLY 70 CO 0.02 0.16 0.54 0.00 0.00 0.00 0.00 176.54 177.26 1p84 h ALA 71 N 0.83 1.20 -0.33 3.60 0.00 -0.98 0.38 119.26 123.96 1p84 h ALA 71 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1p84 h ALA 71 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1p84 h ALA 71 CO 0.00 0.29 0.16 -0.22 0.00 0.00 0.00 179.25 179.48 1p84 h LYS 72 N 0.98 0.47 -0.73 0.00 3.64 -0.97 -1.16 116.57 118.81 1p84 h LYS 72 Ca 0.38 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1p84 h LYS 72 Cb 0.17 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1p84 h LYS 72 CO -0.17 0.43 0.24 0.77 -2.27 0.00 0.00 179.45 178.45 1p84 h SER 73 N 0.40 1.06 -0.08 4.20 0.02 -0.50 -1.28 113.55 117.37 1p84 h SER 73 Ca 0.11 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1p84 h SER 73 Cb 0.12 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1p84 h SER 73 CO -0.01 0.98 0.02 0.74 -1.14 0.00 0.00 176.83 177.41 1p84 h THR 74 N 1.08 1.21 -0.28 -2.27 2.02 -0.76 -0.86 112.91 113.04 1p84 h THR 74 Ca 0.24 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1p84 h THR 74 Cb 0.29 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1p84 h THR 74 CO -0.01 0.18 0.09 0.58 0.37 0.00 0.00 175.52 176.73 1p84 h VAL 75 N -0.10 0.91 -0.44 3.16 2.07 -1.13 -2.18 116.25 118.54 1p84 h VAL 75 Ca 0.02 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1p84 h VAL 75 Cb 0.27 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1p84 h VAL 75 CO 0.00 0.04 0.22 -0.33 0.02 0.00 0.00 177.57 177.52 1p84 h GLU 76 N 0.21 0.60 -0.31 1.57 5.08 -1.12 -1.45 114.58 119.17 1p84 h GLU 76 Ca 0.12 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1p84 h GLU 76 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1p84 h GLU 76 CO -0.14 0.46 0.11 1.15 -1.00 0.00 0.00 179.01 179.59 1p84 h THR 77 N 0.61 1.19 -0.12 1.13 2.02 -0.55 -1.02 112.91 116.16 1p84 h THR 77 Ca 0.16 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 1p84 h THR 77 Cb 0.04 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1p84 h THR 77 CO -0.02 0.21 -0.06 -0.26 0.37 0.00 0.00 175.52 175.75 1p84 h PHE 78 N 0.34 0.29 -0.23 3.16 0.04 -1.14 -3.14 116.94 116.27 1p84 h PHE 78 Ca 0.10 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1p84 h PHE 78 Cb 0.22 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1p84 h PHE 78 CO 0.00 0.60 0.14 0.82 -0.60 0.00 0.00 178.31 179.27 1p84 h ILE 79 N -0.10 1.09 0.00 -0.55 2.04 -1.24 -2.17 117.51 116.57 1p84 h ILE 79 Ca 0.03 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1p84 h ILE 79 Cb 0.53 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1p84 h ILE 79 CO 0.02 0.09 0.00 -1.54 0.00 0.00 0.00 178.15 176.72 1p84 n SER 80 N -4.89 0.22 0.00 1.72 3.41 -0.39 -1.41 113.62 112.28 1p84 n SER 80 Ca -0.03 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1p84 n SER 80 Cb 0.05 -0.61 0.52 0.00 -0.26 0.00 0.00 64.21 63.91 1p84 n SER 80 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1p84 n SER 81 N -1.76 0.02 -0.16 4.04 3.41 -0.82 -2.33 113.62 116.01 1p84 n SER 81 Ca 0.01 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 1p84 n SER 81 Cb 0.11 -0.51 0.13 0.00 -0.26 0.00 0.00 64.21 63.68 1p84 n SER 81 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1p84 n MET 82 N -1.52 0.44 -1.37 4.33 2.00 -0.50 -4.95 117.12 115.57 1p84 n MET 82 Ca 0.06 -0.32 -0.29 0.00 0.00 0.00 0.00 57.70 57.15 1p84 n MET 82 Cb 0.29 -1.49 0.14 0.00 0.00 0.00 0.00 33.22 32.16 1p84 n MET 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1p84 s THR 83 N -2.78 2.31 0.10 2.03 -4.23 -0.99 -4.92 115.64 107.16 1p84 s THR 83 Ca 0.15 0.10 -0.36 0.00 -1.18 0.00 0.00 61.69 60.40 1p84 s THR 83 Cb 0.18 -2.72 -0.15 0.00 1.34 0.00 0.00 72.50 71.14 1p84 s THR 83 CO 0.68 -0.13 1.47 0.00 -0.54 0.00 0.00 174.62 176.10 1p84 n ALA 84 N -3.87 0.09 -1.63 3.99 0.00 -1.26 -4.95 120.51 112.89 1p84 n ALA 84 Ca 0.06 0.47 -0.32 0.00 0.00 0.00 0.00 53.44 53.66 1p84 n ALA 84 Cb 0.57 -2.21 0.02 0.00 0.00 0.00 0.00 19.45 17.84 1p84 n ALA 84 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1p84 s THR 85 N 0.91 3.90 0.44 0.00 -4.23 -1.26 -4.93 115.64 110.46 1p84 s THR 85 Ca 0.83 0.79 0.18 0.00 -1.18 0.00 0.00 61.69 62.32 1p84 s THR 85 Cb -0.84 -3.39 0.38 0.00 1.34 0.00 0.00 72.50 70.00 1p84 s THR 85 CO 0.44 -0.63 1.89 0.00 -0.54 0.00 0.00 174.62 175.78 1p84 h ALA 86 N 0.03 2.24 -0.00 3.99 0.00 -2.02 -1.74 119.26 121.77 1p84 h ALA 86 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1p84 h ALA 86 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1p84 h ALA 86 CO 0.57 -0.48 -0.02 -0.40 0.00 0.00 0.00 179.25 178.93 1p84 n ASP 87 N -4.47 0.33 -0.23 0.00 3.85 -1.26 -3.82 116.55 110.96 1p84 n ASP 87 Ca 0.16 -0.94 0.03 0.00 -0.71 0.00 0.00 54.79 53.34 1p84 n ASP 87 Cb 0.64 -0.04 0.03 0.00 -1.35 0.00 0.00 41.12 40.40 1p84 n ASP 87 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 1p84 n VAL 88 N -0.81 0.16 -0.55 2.12 0.24 -0.65 -4.72 118.33 114.11 1p84 n VAL 88 Ca 0.21 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 1p84 n VAL 88 Cb 0.19 1.01 0.04 0.00 -1.47 0.00 0.00 33.84 33.62 1p84 n VAL 88 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1p84 n LEU 89 N 0.25 5.76 -4.72 1.34 4.77 -1.24 -4.96 117.00 118.21 1p84 n LEU 89 Ca 0.04 -2.90 -0.42 0.00 -0.03 0.00 0.00 56.01 52.70 1p84 n LEU 89 Cb 0.17 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 1p84 n LEU 89 CO 0.03 1.06 1.10 0.00 -1.33 0.00 0.00 177.39 178.25 1p84 s ALA 90 N -1.39 3.64 -0.84 -1.18 0.00 -1.26 -4.98 121.76 115.74 1p84 s ALA 90 Ca 0.24 1.20 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 1p84 s ALA 90 Cb 0.19 -3.56 0.19 0.00 0.00 0.00 0.00 23.12 19.95 1p84 s ALA 90 CO 0.01 -0.66 0.85 1.41 0.00 0.00 0.00 175.76 177.37 1p84 s MET 91 N 0.84 3.59 0.98 0.00 1.75 -1.26 -5.02 119.30 120.17 1p84 s MET 91 Ca 0.65 -2.27 -0.12 0.00 -1.25 0.00 0.00 55.69 52.70 1p84 s MET 91 Cb -0.39 -4.54 0.18 0.00 2.84 0.00 0.00 34.83 32.92 1p84 s MET 91 CO 0.33 -1.41 1.09 0.00 -0.65 0.00 0.00 175.02 174.38 1p84 s ALA 92 N 0.83 1.07 -0.29 4.11 0.00 -1.26 -5.09 121.76 121.13 1p84 s ALA 92 Ca 0.21 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1p84 s ALA 92 Cb -0.09 -3.12 0.15 0.00 0.00 0.00 0.00 23.12 20.05 1p84 s ALA 92 CO -0.09 -2.75 0.59 0.21 0.00 0.00 0.00 175.76 173.73 1p84 s LYS 93 N -4.97 0.54 -0.05 0.00 2.47 -1.26 -4.86 119.74 111.60 1p84 s LYS 93 Ca 0.65 1.19 0.03 0.00 -1.56 0.00 0.00 55.97 56.28 1p84 s LYS 93 Cb -0.18 0.62 -0.03 0.00 -1.46 0.00 0.00 37.83 36.78 1p84 s LYS 93 CO 0.57 -0.39 -0.13 0.54 0.16 0.00 0.00 175.35 176.10 1p84 s VAL 94 N 2.84 3.18 -0.14 4.02 0.11 -0.81 -5.00 120.40 124.60 1p84 s VAL 94 Ca 0.06 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.39 1p84 s VAL 94 Cb -0.13 -2.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.43 1p84 s VAL 94 CO -0.19 0.59 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.52 1p84 s GLU 95 N -0.76 3.56 -0.06 1.54 2.02 -1.26 -1.07 118.70 122.67 1p84 s GLU 95 Ca 0.12 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.65 1p84 s GLU 95 Cb -0.11 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 1p84 s GLU 95 CO 0.01 0.31 -0.23 0.08 0.02 0.00 0.00 175.26 175.45 1p84 s VAL 96 N 0.18 1.90 -0.71 2.63 1.01 -0.75 -5.01 120.40 119.65 1p84 s VAL 96 Ca -0.02 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1p84 s VAL 96 Cb -0.14 -1.62 0.10 0.00 0.00 0.00 0.00 36.38 34.73 1p84 s VAL 96 CO 0.03 0.53 0.93 0.21 0.00 0.00 0.00 175.10 176.79 1p84 s ASN 97 N -0.05 6.30 0.37 3.32 3.84 -1.26 -2.02 114.94 125.43 1p84 s ASN 97 Ca -0.05 -1.41 0.04 0.00 0.21 0.00 0.00 52.86 51.64 1p84 s ASN 97 Cb -0.14 -2.38 0.70 0.00 -0.55 0.00 0.00 41.25 38.89 1p84 s ASN 97 CO 0.04 -1.24 2.02 -0.07 -2.79 0.00 0.00 177.10 175.06 1p84 h LEU 98 N 10.66 0.65 -2.37 3.21 3.38 -1.14 -2.23 115.31 127.45 1p84 h LEU 98 Ca -0.17 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1p84 h LEU 98 Cb 1.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1p84 h LEU 98 CO 1.13 0.47 0.20 0.00 0.09 0.00 0.00 178.44 180.33 1p84 h ALA 99 N 1.64 1.38 0.04 1.53 0.00 -1.84 -1.38 119.26 120.64 1p84 h ALA 99 Ca 0.20 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.85 1p84 h ALA 99 Cb -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1p84 h ALA 99 CO -0.04 -0.23 -1.31 0.00 0.00 0.00 0.00 179.25 177.66 1p84 h ALA 100 N 1.66 0.41 -2.44 0.00 0.00 -1.72 -3.46 119.26 113.71 1p84 h ALA 100 Ca 0.03 -1.09 -0.54 0.00 0.00 0.00 0.00 54.91 53.32 1p84 h ALA 100 Cb 0.42 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1p84 h ALA 100 CO -0.00 1.28 0.83 0.42 0.00 0.00 0.00 179.25 181.78 1p84 s ILE 101 N -2.66 3.44 0.00 0.00 1.01 -0.52 -5.03 121.20 117.44 1p84 s ILE 101 Ca -0.03 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1p84 s ILE 101 Cb 0.08 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1p84 s ILE 101 CO 0.83 0.02 0.00 -2.65 0.00 0.00 0.00 174.94 173.15 1p84 n PRO 102 N 4.96 0.38 0.00 2.79 -0.02 -1.26 -5.03 135.00 136.82 1p84 n PRO 102 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1p84 n PRO 102 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1p84 n PRO 102 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1p84 n LEU 103 N 0.00 0.00 -3.15 2.45 7.94 -1.26 -4.53 117.00 118.45 1p84 n LEU 103 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 1p84 n LEU 103 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1p84 n LEU 103 CO 0.00 0.00 2.63 0.61 -1.11 0.00 0.00 177.39 179.52 1p84 n GLY 104 N 2.84 4.51 3.39 -3.96 0.00 -1.25 -4.07 105.19 106.65 1p84 n GLY 104 Ca 0.00 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 1p84 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p84 s LYS 105 N 0.32 1.41 -0.19 1.61 -0.14 -1.26 -4.99 119.74 116.51 1p84 s LYS 105 Ca 0.62 -1.40 -0.08 0.00 -1.36 0.00 0.00 55.97 53.75 1p84 s LYS 105 Cb 0.22 -1.82 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 1p84 s LYS 105 CO -0.08 0.42 0.09 -0.80 -0.76 0.00 0.00 175.35 174.22 1p84 s ASN 106 N -2.28 5.91 0.02 2.83 0.02 -1.26 -3.14 114.94 117.04 1p84 s ASN 106 Ca 0.16 0.16 0.07 0.00 -1.02 0.00 0.00 52.86 52.23 1p84 s ASN 106 Cb -0.09 -2.02 -0.02 0.00 0.02 0.00 0.00 41.25 39.14 1p84 s ASN 106 CO 0.07 0.19 -0.22 0.54 0.02 0.00 0.00 177.10 177.70 1p84 s VAL 107 N 0.31 1.73 -0.06 1.60 0.11 -0.51 -5.01 120.40 118.57 1p84 s VAL 107 Ca 0.06 -1.08 0.05 0.00 -2.93 0.00 0.00 61.98 58.07 1p84 s VAL 107 Cb -0.12 -1.47 -0.00 0.00 -1.53 0.00 0.00 36.38 33.26 1p84 s VAL 107 CO -0.01 0.35 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.22 1p84 s VAL 108 N -0.66 1.68 0.07 2.04 1.01 -1.26 -1.69 120.40 121.59 1p84 s VAL 108 Ca 0.08 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1p84 s VAL 108 Cb -0.09 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1p84 s VAL 108 CO 0.01 0.48 -0.08 0.68 0.00 0.00 0.00 175.10 176.18 1p84 s VAL 109 N 0.05 0.69 -0.06 2.92 -7.23 -0.69 -4.95 120.40 111.12 1p84 s VAL 109 Ca -0.06 -1.38 -0.20 0.00 -1.81 0.00 0.00 61.98 58.52 1p84 s VAL 109 Cb -0.13 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 1p84 s VAL 109 CO 0.04 -0.51 0.57 -0.75 -0.31 0.00 0.00 175.10 174.14 1p84 s LYS 110 N -2.30 4.35 -0.20 4.82 2.20 -1.26 -0.18 119.74 127.17 1p84 s LYS 110 Ca -0.02 0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 56.21 1p84 s LYS 110 Cb -0.05 -3.40 0.10 0.00 -1.51 0.00 0.00 37.83 32.96 1p84 s LYS 110 CO -0.01 0.21 0.25 -0.46 -0.36 0.00 0.00 175.35 174.98 1p84 s TRP 111 N 0.37 -0.36 -1.44 4.03 -0.00 -0.49 -4.86 118.94 116.18 1p84 s TRP 111 Ca 0.31 0.35 -0.07 0.00 -0.00 0.00 0.00 56.10 56.68 1p84 s TRP 111 Cb -0.17 -0.29 0.01 0.00 -0.00 0.00 0.00 33.47 33.02 1p84 s TRP 111 CO 0.15 -0.61 0.92 1.04 -0.00 0.00 0.00 176.95 178.46 1p84 n GLN 112 N 5.33 -6.59 -0.48 5.86 6.02 -1.26 -1.62 117.38 124.64 1p84 n GLN 112 Ca -0.05 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1p84 n GLN 112 Cb 0.50 -5.82 0.00 0.00 1.02 0.00 0.00 30.24 25.94 1p84 n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p84 n GLY 113 N -1.79 1.05 3.80 1.08 0.00 -1.26 -4.97 105.19 103.09 1p84 n GLY 113 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1p84 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p84 s LYS 114 N -0.25 3.21 0.12 1.61 1.02 -0.64 -5.09 119.74 119.72 1p84 s LYS 114 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 1p84 s LYS 114 Cb 0.00 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.27 1p84 s LYS 114 CO 0.00 0.71 1.06 -1.25 -0.92 0.00 0.00 175.35 174.95 1p84 s PRO 115 N -1.29 4.60 -0.24 -1.68 0.04 -1.26 -1.40 135.00 133.77 1p84 s PRO 115 Ca 0.18 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1p84 s PRO 115 Cb -0.12 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1p84 s PRO 115 CO 0.08 0.05 -0.03 0.08 0.04 0.00 0.00 177.00 177.23 1p84 s VAL 116 N 0.16 3.28 0.18 -0.36 1.01 0.75 -1.11 120.40 124.31 1p84 s VAL 116 Ca 0.50 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 1p84 s VAL 116 Cb -0.27 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 1p84 s VAL 116 CO 0.32 0.27 0.75 -0.36 0.00 0.00 0.00 175.10 176.08 1p84 s PHE 117 N 1.42 3.82 -0.18 5.22 2.99 0.16 -1.71 117.98 129.70 1p84 s PHE 117 Ca 0.03 1.54 -0.04 0.00 0.00 0.00 0.00 56.93 58.46 1p84 s PHE 117 Cb -0.16 -2.70 0.09 0.00 0.00 0.00 0.00 43.02 40.24 1p84 s PHE 117 CO -0.03 0.46 0.22 0.42 -0.00 0.00 0.00 175.22 176.30 1p84 s ILE 118 N -1.27 -0.33 -0.09 0.64 1.01 -0.68 -1.68 121.20 118.80 1p84 s ILE 118 Ca 0.38 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.04 1p84 s ILE 118 Cb -0.21 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 1p84 s ILE 118 CO 0.24 -0.12 -0.20 -0.60 0.00 0.00 0.00 174.94 174.25 1p84 s ARG 119 N 2.34 2.99 -0.74 2.79 3.52 -0.68 -1.42 118.95 127.75 1p84 s ARG 119 Ca 0.06 -0.81 -0.21 0.00 -0.13 0.00 0.00 55.73 54.64 1p84 s ARG 119 Cb -0.15 -2.37 0.10 0.00 -1.56 0.00 0.00 34.95 30.97 1p84 s ARG 119 CO -0.11 0.28 0.97 -1.58 -0.81 0.00 0.00 175.30 174.05 1p84 s HIS 120 N 0.13 2.88 0.44 5.12 5.65 -1.19 -1.85 115.29 126.48 1p84 s HIS 120 Ca -0.10 -0.91 -0.23 0.00 0.25 0.00 0.00 55.06 54.07 1p84 s HIS 120 Cb -0.16 -4.24 -0.08 0.00 -1.18 0.00 0.00 32.58 26.92 1p84 s HIS 120 CO 0.06 -1.53 1.11 1.03 -0.65 0.00 0.00 174.74 174.76 1p84 s ARG 121 N 3.35 3.91 0.55 2.88 0.52 -0.31 -3.78 118.95 126.08 1p84 s ARG 121 Ca 0.24 1.63 -0.08 0.00 -0.52 0.00 0.00 55.73 56.99 1p84 s ARG 121 Cb -0.14 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 1p84 s ARG 121 CO 0.03 -0.39 0.90 0.95 0.02 0.00 0.00 175.30 176.82 1p84 s THR 122 N -1.64 4.73 0.36 0.02 -4.23 -1.26 -4.85 115.64 108.78 1p84 s THR 122 Ca 0.62 0.49 0.09 0.00 -1.18 0.00 0.00 61.69 61.71 1p84 s THR 122 Cb -0.25 -3.84 0.32 0.00 1.34 0.00 0.00 72.50 70.08 1p84 s THR 122 CO 0.30 -0.96 1.88 -0.65 -0.54 0.00 0.00 174.62 174.66 1p84 h PRO 123 N -0.05 0.65 -0.50 3.99 0.11 -1.97 -1.56 132.00 132.67 1p84 h PRO 123 Ca -0.46 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1p84 h PRO 123 Cb 1.20 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1p84 h PRO 123 CO 0.62 0.43 -0.18 0.45 -0.21 0.00 0.00 178.00 179.11 1p84 h HIS 124 N 0.67 1.12 -0.69 0.65 3.86 -2.00 -2.86 115.15 115.89 1p84 h HIS 124 Ca 0.43 -0.25 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1p84 h HIS 124 Cb 0.70 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 1p84 h HIS 124 CO -0.00 1.07 0.23 0.93 0.86 0.00 0.00 177.93 181.02 1p84 h GLU 125 N 0.86 1.07 -0.36 2.45 5.08 -1.69 -1.63 114.58 120.37 1p84 h GLU 125 Ca 0.12 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1p84 h GLU 125 Cb 0.75 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1p84 h GLU 125 CO 0.06 0.92 0.21 0.82 -1.00 0.00 0.00 179.01 180.02 1p84 h ILE 126 N 1.01 1.11 -0.03 3.13 2.04 -1.23 -0.99 117.51 122.55 1p84 h ILE 126 Ca 0.23 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.69 1p84 h ILE 126 Cb 0.29 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1p84 h ILE 126 CO -0.01 0.11 -0.52 -0.61 0.00 0.00 0.00 178.15 177.13 1p84 h GLN 127 N 0.49 0.40 -0.72 2.37 4.15 -1.24 -2.80 115.11 117.77 1p84 h GLN 127 Ca 0.13 -0.39 0.09 0.00 0.77 0.00 0.00 58.65 59.25 1p84 h GLN 127 Cb -0.01 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.72 1p84 h GLN 127 CO -0.02 1.06 0.36 1.49 -1.93 0.00 0.00 178.83 179.79 1p84 h GLU 128 N -0.11 0.60 0.13 1.69 4.81 -0.73 -1.72 114.58 119.26 1p84 h GLU 128 Ca -0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1p84 h GLU 128 Cb 1.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1p84 h GLU 128 CO 0.10 0.40 -0.06 0.00 -0.73 0.00 0.00 179.01 178.72 1p84 h ALA 129 N 1.43 -0.17 -0.17 2.92 0.00 -1.23 -3.12 119.26 118.91 1p84 h ALA 129 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1p84 h ALA 129 Cb 0.36 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1p84 h ALA 129 CO -0.26 -0.53 0.00 0.27 0.00 0.00 0.00 179.25 178.72 1p84 n ASN 130 N -5.11 1.21 -1.33 0.00 0.23 -1.03 -3.88 115.26 105.35 1p84 n ASN 130 Ca -0.08 -2.05 -0.09 0.00 -0.53 0.00 0.00 54.58 51.83 1p84 n ASN 130 Cb 0.14 -0.21 0.12 0.00 -2.08 0.00 0.00 39.78 37.76 1p84 n ASN 130 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1p84 n SER 131 N 0.05 3.37 -4.28 0.53 7.64 -0.67 -4.99 113.62 115.27 1p84 n SER 131 Ca 0.06 -3.83 -0.32 0.00 1.01 0.00 0.00 58.87 55.80 1p84 n SER 131 Cb 0.22 -0.48 -0.16 0.00 -1.01 0.00 0.00 64.21 62.77 1p84 n SER 131 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1p84 s VAL 132 N -3.87 2.23 0.27 0.44 1.01 -1.25 -5.01 120.40 114.22 1p84 s VAL 132 Ca 0.45 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 1p84 s VAL 132 Cb 0.40 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 1p84 s VAL 132 CO -0.01 0.57 0.99 -0.62 0.00 0.00 0.00 175.10 176.02 1p84 s ASP 133 N -0.05 7.44 0.48 3.32 3.68 -1.26 -4.96 116.67 125.31 1p84 s ASP 133 Ca -0.06 2.03 0.15 0.00 2.13 0.00 0.00 52.55 56.79 1p84 s ASP 133 Cb -0.15 -2.61 1.15 0.00 -1.45 0.00 0.00 42.92 39.87 1p84 s ASP 133 CO 0.05 -0.00 2.07 0.24 0.13 0.00 0.00 175.17 177.65 1p84 h MET 134 N 3.80 0.20 0.00 4.34 2.86 -1.95 -1.90 114.93 122.27 1p84 h MET 134 Ca -0.46 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1p84 h MET 134 Cb 1.20 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1p84 h MET 134 CO 0.67 0.13 0.00 0.66 1.06 0.00 0.00 176.91 179.43 1p84 h SER 135 N 0.21 0.00 -0.18 1.22 4.64 -2.04 -0.92 113.55 116.48 1p84 h SER 135 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1p84 h SER 135 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1p84 h SER 135 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 1p84 n ALA 136 N -1.96 2.50 -3.20 5.18 0.00 -0.71 -4.89 120.51 117.43 1p84 n ALA 136 Ca -0.01 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.46 1p84 n ALA 136 Cb 0.11 -1.01 -0.17 0.00 0.00 0.00 0.00 19.45 18.38 1p84 n ALA 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p84 s LEU 137 N -1.69 2.07 0.44 0.00 1.43 -0.35 -4.94 118.68 115.65 1p84 s LEU 137 Ca 0.34 -0.55 0.27 0.00 -1.03 0.00 0.00 54.13 53.17 1p84 s LEU 137 Cb 0.20 -1.38 0.81 0.00 0.03 0.00 0.00 46.19 45.84 1p84 s LEU 137 CO 0.29 0.16 1.77 0.07 0.23 0.00 0.00 176.35 178.88 1p84 h LYS 138 N 6.68 0.00 -2.71 1.70 2.10 -1.84 -3.33 116.57 119.16 1p84 h LYS 138 Ca -0.20 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.84 1p84 h LYS 138 Cb 1.23 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.17 1p84 h LYS 138 CO 0.47 0.00 -0.80 0.34 -2.00 0.00 0.00 179.45 177.46 1p84 s ASP 139 N -5.70 2.96 -0.23 7.07 3.68 -1.26 -5.03 116.67 118.15 1p84 s ASP 139 Ca 0.05 -3.16 -0.33 0.00 2.13 0.00 0.00 52.55 51.24 1p84 s ASP 139 Cb 0.07 -0.90 -0.10 0.00 -1.45 0.00 0.00 42.92 40.54 1p84 s ASP 139 CO 0.60 -0.17 2.10 -2.65 0.13 0.00 0.00 175.17 175.17 1p84 n PRO 140 N 2.80 1.66 -3.67 4.34 -0.02 -1.25 -4.81 135.00 134.05 1p84 n PRO 140 Ca 0.22 0.52 -0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1p84 n PRO 140 Cb 0.41 -2.72 -0.09 0.00 -0.02 0.00 0.00 33.50 31.08 1p84 n PRO 140 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1p84 s GLN 141 N 5.54 0.63 0.43 -0.52 -0.21 -1.26 -5.14 119.66 119.13 1p84 s GLN 141 Ca 1.02 0.90 -0.16 0.00 0.02 0.00 0.00 55.36 57.15 1p84 s GLN 141 Cb -0.67 0.21 -0.08 0.00 1.00 0.00 0.00 33.01 33.47 1p84 s GLN 141 CO 0.46 -0.11 0.88 0.95 -2.12 0.00 0.00 175.29 175.35 1p84 s THR 142 N 0.85 4.59 0.59 -0.19 -4.23 -1.26 -4.92 115.64 111.07 1p84 s THR 142 Ca -0.04 1.08 0.29 0.00 -1.18 0.00 0.00 61.69 61.84 1p84 s THR 142 Cb -0.05 -3.68 0.36 0.00 1.34 0.00 0.00 72.50 70.47 1p84 s THR 142 CO -0.07 -0.47 2.17 -0.78 -0.54 0.00 0.00 174.62 174.93 1p84 h ASP 143 N 1.46 0.00 -0.45 3.99 -0.00 -1.95 -0.57 116.42 118.91 1p84 h ASP 143 Ca -0.48 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 56.42 1p84 h ASP 143 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.50 1p84 h ASP 143 CO 0.63 0.00 -0.23 0.00 -0.00 0.00 0.00 179.24 179.64 1p84 h ALA 144 N 1.86 0.63 0.00 -0.78 0.00 -1.91 -1.17 119.26 117.89 1p84 h ALA 144 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1p84 h ALA 144 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p84 h ALA 144 CO -0.00 0.63 0.00 -0.25 0.00 0.00 0.00 179.25 179.63 1p84 n ASP 145 N -4.15 0.65 -0.06 0.00 8.00 -0.23 -3.56 116.55 117.21 1p84 n ASP 145 Ca -0.01 0.72 -0.07 0.00 0.71 0.00 0.00 54.79 56.14 1p84 n ASP 145 Cb 0.46 -0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 40.63 1p84 n ASP 145 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1p84 n ARG 146 N -2.28 1.74 -4.89 -1.24 1.74 -0.94 -5.00 116.66 105.79 1p84 n ARG 146 Ca 0.00 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 1p84 n ARG 146 Cb 0.15 -1.32 -0.15 0.00 -1.02 0.00 0.00 32.46 30.12 1p84 n ARG 146 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1p84 s VAL 147 N -2.31 2.00 -0.06 1.55 -7.23 -0.49 -4.84 120.40 109.02 1p84 s VAL 147 Ca -0.08 -1.30 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 1p84 s VAL 147 Cb 0.04 -1.71 -0.29 0.00 0.56 0.00 0.00 36.38 34.99 1p84 s VAL 147 CO 0.50 0.35 0.63 0.11 -0.31 0.00 0.00 175.10 176.38 1p84 h LYS 148 N 4.91 0.32 -4.32 4.82 1.57 -1.83 -3.43 116.57 118.61 1p84 h LYS 148 Ca -0.45 -0.54 -0.60 0.00 -1.87 0.00 0.00 60.65 57.18 1p84 h LYS 148 Cb 1.14 0.20 -0.38 0.00 0.08 0.00 0.00 32.23 33.27 1p84 h LYS 148 CO 0.44 1.22 -0.79 0.34 -0.57 0.00 0.00 179.45 180.09 1p84 s ASP 149 N -7.12 3.75 0.49 0.86 -1.08 -1.26 -5.01 116.67 107.30 1p84 s ASP 149 Ca -0.16 -1.13 0.08 0.00 -0.52 0.00 0.00 52.55 50.82 1p84 s ASP 149 Cb 0.06 -1.14 0.43 0.00 -1.46 0.00 0.00 42.92 40.81 1p84 s ASP 149 CO 0.83 -0.23 1.15 1.55 0.52 0.00 0.00 175.17 178.98 1p84 h PRO 150 N 7.98 0.00 0.00 4.34 0.13 -1.97 0.28 132.00 142.76 1p84 h PRO 150 Ca -0.18 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.79 1p84 h PRO 150 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1p84 h PRO 150 CO 0.41 0.00 -0.86 0.37 -0.23 0.00 0.00 178.00 177.69 1p84 h GLN 151 N 0.00 0.00 -4.80 0.86 4.15 -1.94 -3.44 115.11 109.94 1p84 h GLN 151 Ca 0.00 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.74 1p84 h GLN 151 Cb 1.34 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 28.67 1p84 h GLN 151 CO 0.00 0.58 -0.74 -1.58 -1.93 0.00 0.00 178.83 175.16 1p84 s TRP 152 N -2.87 3.32 -0.23 3.99 0.52 0.98 -1.16 118.94 123.49 1p84 s TRP 152 Ca 0.01 -2.21 -0.19 0.00 0.02 0.00 0.00 56.10 53.74 1p84 s TRP 152 Cb 0.08 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 30.23 1p84 s TRP 152 CO 0.78 -0.86 0.54 -1.17 0.02 0.00 0.00 176.95 176.26 1p84 s LEU 153 N 1.15 4.10 -0.20 2.99 2.96 -0.77 -4.63 118.68 124.28 1p84 s LEU 153 Ca -0.05 0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1p84 s LEU 153 Cb -0.20 -2.73 0.05 0.00 0.50 0.00 0.00 46.19 43.81 1p84 s LEU 153 CO -0.04 -0.26 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.05 1p84 s ILE 154 N 2.06 1.28 0.27 6.68 1.01 -1.26 -1.69 121.20 129.54 1p84 s ILE 154 Ca 0.24 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 1p84 s ILE 154 Cb -0.16 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 1p84 s ILE 154 CO 0.09 0.03 0.41 0.00 0.00 0.00 0.00 174.94 175.48 1p84 s MET 155 N 1.54 1.60 -0.25 2.79 0.23 -0.67 -4.49 119.30 120.04 1p84 s MET 155 Ca -0.02 -1.47 -0.20 0.00 -1.03 0.00 0.00 55.69 52.97 1p84 s MET 155 Cb -0.17 0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 33.54 1p84 s MET 155 CO -0.07 -0.64 0.61 -0.51 -2.03 0.00 0.00 175.02 172.37 1p84 s LEU 156 N -3.11 4.06 0.00 0.18 1.43 -0.53 0.35 118.68 121.07 1p84 s LEU 156 Ca 0.28 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 1p84 s LEU 156 Cb 0.01 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 1p84 s LEU 156 CO 0.13 -0.35 1.76 0.61 0.23 0.00 0.00 176.35 178.73 1p84 n GLY 157 N 4.19 2.14 3.25 -3.19 0.00 -0.27 -4.44 105.19 106.87 1p84 n GLY 157 Ca -0.01 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1p84 n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p84 s ILE 158 N 0.55 3.70 0.18 -0.61 -1.09 -1.26 -3.92 121.20 118.74 1p84 s ILE 158 Ca 0.07 -1.26 -0.33 0.00 -2.23 0.00 0.00 60.65 56.90 1p84 s ILE 158 Cb 0.03 -3.14 -0.14 0.00 -1.58 0.00 0.00 42.46 37.63 1p84 s ILE 158 CO 0.00 -0.24 1.48 0.00 -1.23 0.00 0.00 174.94 174.96 1p84 n THR 160 N 2.76 0.19 0.00 0.00 -2.24 -1.26 -2.55 114.28 111.17 1p84 n THR 160 Ca 0.15 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1p84 n THR 160 Cb 0.29 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1p84 n THR 160 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1p84 n HIS 161 N -1.16 0.00 -1.36 4.78 -0.00 -1.26 -4.49 115.22 111.74 1p84 n HIS 161 Ca 0.13 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.93 1p84 n HIS 161 Cb 0.13 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.23 1p84 n HIS 161 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1p84 n LEU 162 N -0.36 1.89 0.00 0.27 4.77 -1.26 -5.00 117.00 117.31 1p84 n LEU 162 Ca 0.00 -2.74 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 1p84 n LEU 162 Cb 0.00 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1p84 n LEU 162 CO 0.00 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1p84 n GLY 163 N -1.06 0.72 3.70 -0.72 0.00 -1.06 -5.05 105.19 101.72 1p84 n GLY 163 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1p84 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p84 s VAL 165 N -3.15 4.67 0.43 0.00 1.01 -1.26 -0.81 120.40 121.29 1p84 s VAL 165 Ca 0.68 -0.45 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 1p84 s VAL 165 Cb -0.13 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 1p84 s VAL 165 CO 0.56 0.02 1.41 -2.65 0.00 0.00 0.00 175.10 174.44 1p84 n PRO 166 N 5.00 2.27 -2.83 2.72 -0.02 -1.25 -4.76 135.00 136.11 1p84 n PRO 166 Ca -0.13 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 1p84 n PRO 166 Cb 0.49 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 1p84 n PRO 166 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1p84 s ILE 167 N -1.18 4.60 0.40 4.25 1.01 0.15 -4.80 121.20 125.62 1p84 s ILE 167 Ca 0.60 1.89 -0.24 0.00 0.00 0.00 0.00 60.65 62.89 1p84 s ILE 167 Cb -0.47 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 37.68 1p84 s ILE 167 CO 0.59 0.34 1.05 -0.83 0.00 0.00 0.00 174.94 176.09 1p84 s GLY 168 N -0.03 2.75 -1.30 6.18 0.00 -1.26 -1.66 107.32 112.00 1p84 s GLY 168 Ca 0.43 0.71 -0.01 0.00 0.00 0.00 0.00 44.72 45.85 1p84 s GLY 168 CO 0.27 1.15 0.67 1.18 0.00 0.00 0.00 173.10 176.36 1p84 n GLU 169 N -0.04 -4.39 -3.99 2.90 1.02 -0.76 -4.95 120.64 110.43 1p84 n GLU 169 Ca 0.05 0.58 -0.10 0.00 -0.02 0.00 0.00 57.16 57.68 1p84 n GLU 169 Cb 0.49 -5.04 -0.07 0.00 -0.02 0.00 0.00 31.44 26.81 1p84 n GLU 169 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1p84 s ALA 170 N -3.70 0.03 0.00 0.62 0.00 -0.01 -4.95 121.76 113.75 1p84 s ALA 170 Ca 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1p84 s ALA 170 Cb -0.01 1.00 0.00 0.00 0.00 0.00 0.00 23.12 24.11 1p84 s ALA 170 CO 0.82 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1p84 n GLY 171 N -0.28 -1.11 0.85 0.00 0.00 -1.26 -3.29 105.19 100.10 1p84 n GLY 171 Ca -0.04 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 43.92 1p84 n GLY 171 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p84 n ASP 172 N 0.00 3.22 -1.41 1.61 8.00 -1.26 -4.53 116.55 122.17 1p84 n ASP 172 Ca 0.00 -1.99 0.03 0.00 0.71 0.00 0.00 54.79 53.54 1p84 n ASP 172 Cb 0.00 -0.30 0.08 0.00 -0.02 0.00 0.00 41.12 40.87 1p84 n ASP 172 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1p84 n PHE 173 N 0.86 0.25 -3.97 1.24 3.01 -1.26 -5.01 117.46 112.59 1p84 n PHE 173 Ca 0.15 -1.02 -0.31 0.00 1.01 0.00 0.00 57.45 57.29 1p84 n PHE 173 Cb 0.48 -0.19 0.02 0.00 -0.01 0.00 0.00 39.48 39.78 1p84 n PHE 173 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p84 n GLY 174 N -0.11 -0.49 0.00 1.37 0.00 -1.26 -3.64 105.19 101.06 1p84 n GLY 174 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1p84 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p84 n GLY 175 N -1.65 4.06 3.59 -0.02 0.00 -1.23 -4.05 105.19 105.89 1p84 n GLY 175 Ca 0.04 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1p84 n GLY 175 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1p84 s TRP 176 N 2.84 2.71 -0.05 1.61 0.51 -1.08 -0.83 118.94 124.65 1p84 s TRP 176 Ca 0.00 -0.19 0.01 0.00 -2.12 0.00 0.00 56.10 53.81 1p84 s TRP 176 Cb 0.00 -1.35 0.02 0.00 -0.81 0.00 0.00 33.47 31.33 1p84 s TRP 176 CO 0.00 0.48 -0.05 0.12 -0.51 0.00 0.00 176.95 176.99 1p84 s PHE 177 N -1.54 0.83 -0.36 -1.98 5.36 -0.66 -1.02 117.98 118.60 1p84 s PHE 177 Ca 0.24 -0.24 -0.20 0.00 -0.96 0.00 0.00 56.93 55.77 1p84 s PHE 177 Cb -0.10 -0.71 0.00 0.00 -0.34 0.00 0.00 43.02 41.88 1p84 s PHE 177 CO 0.15 -0.20 0.61 0.00 -1.46 0.00 0.00 175.22 174.32 1p84 h PRO 179 N 8.46 0.00 0.29 0.00 0.13 -1.89 -1.50 132.00 137.49 1p84 h PRO 179 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1p84 h PRO 179 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1p84 h PRO 179 CO 0.82 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 178.45 1p84 n HIS 181 N -5.20 0.00 -2.04 0.00 8.25 -1.25 -5.06 115.22 109.93 1p84 n HIS 181 Ca -0.10 -0.15 -0.02 0.00 -0.26 0.00 0.00 57.72 57.20 1p84 n HIS 181 Cb 0.22 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.32 1p84 n HIS 181 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1p84 n GLY 182 N -0.16 0.44 3.73 -1.41 0.00 -0.57 -4.73 105.19 102.49 1p84 n GLY 182 Ca 0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1p84 n GLY 182 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p84 s SER 183 N -3.12 6.19 -0.14 1.61 0.01 -1.20 -4.34 113.70 112.70 1p84 s SER 183 Ca 0.01 0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.45 1p84 s SER 183 Cb -0.00 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1p84 s SER 183 CO 0.08 0.19 0.05 -1.00 0.41 0.00 0.00 173.24 172.97 1p84 s HIS 184 N 0.28 3.27 0.10 2.43 0.09 0.16 -1.16 115.29 120.45 1p84 s HIS 184 Ca 0.08 0.15 0.10 0.00 -0.00 0.00 0.00 55.06 55.39 1p84 s HIS 184 Cb -0.11 -1.97 -0.04 0.00 -0.00 0.00 0.00 32.58 30.46 1p84 s HIS 184 CO -0.02 0.32 -0.25 0.71 -0.00 0.00 0.00 174.74 175.50 1p84 s TYR 185 N -0.20 2.36 0.47 1.40 1.51 -0.19 -0.75 117.35 121.94 1p84 s TYR 185 Ca 0.07 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1p84 s TYR 185 Cb -0.12 -1.31 0.10 0.00 -0.11 0.00 0.00 41.96 40.51 1p84 s TYR 185 CO 0.01 0.29 0.64 -0.40 -1.11 0.00 0.00 175.55 174.98 1p84 n ASP 186 N 1.15 0.70 0.00 2.29 5.68 -0.36 -2.64 116.55 123.38 1p84 n ASP 186 Ca -0.17 -1.63 0.05 0.00 -0.50 0.00 0.00 54.79 52.53 1p84 n ASP 186 Cb 0.53 -0.43 0.25 0.00 -1.14 0.00 0.00 41.12 40.33 1p84 n ASP 186 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1p84 n ILE 187 N -2.42 0.38 0.62 2.12 0.13 -1.24 0.35 119.36 119.30 1p84 n ILE 187 Ca 0.10 0.10 0.07 0.00 -1.10 0.00 0.00 62.75 61.91 1p84 n ILE 187 Cb 0.36 -0.95 -0.03 0.00 -0.84 0.00 0.00 39.64 38.18 1p84 n ILE 187 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1p84 n SER 188 N -1.14 1.17 0.00 9.51 2.88 -1.26 -4.93 113.62 119.86 1p84 n SER 188 Ca 0.06 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 1p84 n SER 188 Cb 0.05 0.66 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1p84 n SER 188 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p84 n GLY 189 N 1.14 0.55 3.88 0.46 0.00 0.16 -4.94 105.19 106.43 1p84 n GLY 189 Ca 0.05 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1p84 n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p84 s ARG 190 N -1.98 3.79 -0.10 1.61 0.52 -1.26 -1.55 118.95 119.98 1p84 s ARG 190 Ca 0.00 0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 55.20 1p84 s ARG 190 Cb 0.00 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.84 1p84 s ARG 190 CO 0.00 0.26 1.23 -1.50 0.02 0.00 0.00 175.30 175.31 1p84 s ILE 191 N -1.92 4.25 -0.11 1.52 1.10 -1.26 -1.22 121.20 123.56 1p84 s ILE 191 Ca 0.48 1.55 0.02 0.00 -0.51 0.00 0.00 60.65 62.19 1p84 s ILE 191 Cb -0.11 -4.00 -0.08 0.00 0.15 0.00 0.00 42.46 38.42 1p84 s ILE 191 CO 0.23 -0.06 -0.08 0.54 -2.11 0.00 0.00 174.94 173.46 1p84 n ARG 192 N 5.76 0.68 -3.77 3.50 5.12 0.07 -4.32 116.66 123.70 1p84 n ARG 192 Ca 0.12 0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.97 1p84 n ARG 192 Cb 0.46 -1.23 -0.09 0.00 -1.16 0.00 0.00 32.46 30.43 1p84 n ARG 192 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1p84 s LYS 193 N -2.23 0.57 0.00 5.56 2.20 -1.17 -4.93 119.74 119.74 1p84 s LYS 193 Ca -0.14 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 1p84 s LYS 193 Cb 0.04 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1p84 s LYS 193 CO 0.29 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 1p84 n GLY 194 N 1.78 1.02 0.31 5.54 0.00 -1.26 -0.66 105.19 111.92 1p84 n GLY 194 Ca -0.19 -2.15 0.19 0.00 0.00 0.00 0.00 46.02 43.87 1p84 n GLY 194 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p84 h PRO 195 N 0.00 0.00 -6.62 1.61 0.13 -1.85 -3.45 132.00 121.82 1p84 h PRO 195 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1p84 h PRO 195 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 1p84 h PRO 195 CO 0.00 0.02 1.04 0.00 -0.23 0.00 0.00 178.00 178.83 1p84 s ALA 196 N -4.09 3.91 -0.45 -0.56 0.00 -1.26 -4.82 121.76 114.48 1p84 s ALA 196 Ca -0.03 1.57 0.23 0.00 0.00 0.00 0.00 51.96 53.73 1p84 s ALA 196 Cb 0.12 -3.72 0.19 0.00 0.00 0.00 0.00 23.12 19.72 1p84 s ALA 196 CO 0.48 -1.00 1.22 -1.00 0.00 0.00 0.00 175.76 175.46 1p84 h PRO 197 N 7.24 0.00 -5.07 0.00 0.13 -1.86 -3.48 132.00 128.96 1p84 h PRO 197 Ca -0.44 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.27 1p84 h PRO 197 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1p84 h PRO 197 CO 0.96 0.00 -0.60 -0.51 -0.23 0.00 0.00 178.00 177.61 1p84 s LEU 198 N -4.85 1.94 0.46 1.56 1.43 -1.26 -4.64 118.68 113.30 1p84 s LEU 198 Ca 0.03 -1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 51.60 1p84 s LEU 198 Cb 0.11 -0.19 -0.07 0.00 0.03 0.00 0.00 46.19 46.07 1p84 s LEU 198 CO 0.75 -0.68 0.87 0.20 0.23 0.00 0.00 176.35 177.71 1p84 s ASN 199 N -3.42 6.56 0.02 2.29 0.01 -1.26 -4.33 114.94 114.80 1p84 s ASN 199 Ca 0.36 1.33 -0.34 0.00 -0.71 0.00 0.00 52.86 53.50 1p84 s ASN 199 Cb 0.08 -2.41 -0.13 0.00 0.41 0.00 0.00 41.25 39.21 1p84 s ASN 199 CO 0.15 -0.49 1.75 0.18 -1.51 0.00 0.00 177.10 177.18 1p84 n LEU 200 N -1.45 3.30 -4.76 0.60 4.77 -0.60 -4.88 117.00 113.98 1p84 n LEU 200 Ca 0.04 1.02 -0.39 0.00 -0.03 0.00 0.00 56.01 56.65 1p84 n LEU 200 Cb 0.54 -1.40 0.03 0.00 -2.33 0.00 0.00 43.42 40.26 1p84 n LEU 200 CO 0.47 -0.16 1.02 -0.70 -1.33 0.00 0.00 177.39 176.69 1p84 s GLU 201 N 2.71 3.43 -0.21 3.23 2.12 -1.26 -4.81 118.70 123.90 1p84 s GLU 201 Ca 0.87 2.30 -0.07 0.00 0.36 0.00 0.00 54.97 58.43 1p84 s GLU 201 Cb -0.68 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 1p84 s GLU 201 CO 0.46 -0.98 0.06 0.42 -0.54 0.00 0.00 175.26 174.67 1p84 s ILE 202 N -1.26 4.50 0.51 -3.70 1.09 -1.26 -1.45 121.20 119.62 1p84 s ILE 202 Ca 0.66 -0.12 -0.05 0.00 -1.10 0.00 0.00 60.65 60.03 1p84 s ILE 202 Cb -0.41 -3.06 -0.03 0.00 -1.06 0.00 0.00 42.46 37.90 1p84 s ILE 202 CO 0.51 0.40 0.82 -2.16 -0.10 0.00 0.00 174.94 174.41 1p84 s PRO 203 N 0.98 3.40 0.16 2.79 0.04 -1.26 -5.00 135.00 136.11 1p84 s PRO 203 Ca 0.04 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 60.93 1p84 s PRO 203 Cb -0.14 -2.34 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 1p84 s PRO 203 CO 0.03 -0.33 1.37 0.00 0.04 0.00 0.00 177.00 178.10 1p84 s ALA 204 N -2.81 3.57 0.08 8.56 0.00 -1.26 -4.96 121.76 124.94 1p84 s ALA 204 Ca 0.49 1.14 -0.19 0.00 0.00 0.00 0.00 51.96 53.40 1p84 s ALA 204 Cb -0.10 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.54 1p84 s ALA 204 CO 0.45 -0.60 0.46 1.52 0.00 0.00 0.00 175.76 177.59 1p84 s TYR 205 N 0.61 -0.32 0.11 0.00 1.13 -1.26 -1.39 117.35 116.22 1p84 s TYR 205 Ca 0.61 0.21 0.02 0.00 -1.41 0.00 0.00 57.07 56.50 1p84 s TYR 205 Cb -0.37 0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.75 1p84 s TYR 205 CO 0.35 -0.66 -0.07 -1.21 -2.51 0.00 0.00 175.55 171.44 1p84 s GLU 206 N -2.99 0.88 0.19 -3.49 2.02 -1.15 -5.00 118.70 109.16 1p84 s GLU 206 Ca -0.02 -1.35 0.05 0.00 0.02 0.00 0.00 54.97 53.67 1p84 s GLU 206 Cb 0.00 -0.30 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 1p84 s GLU 206 CO -0.06 0.00 0.19 -0.06 0.02 0.00 0.00 175.26 175.35 1p84 s PHE 207 N -3.50 3.20 -0.48 1.61 0.40 -1.26 -1.36 117.98 116.58 1p84 s PHE 207 Ca 0.12 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.49 1p84 s PHE 207 Cb 0.04 -1.50 0.22 0.00 0.51 0.00 0.00 43.02 42.29 1p84 s PHE 207 CO -0.03 0.51 0.74 -3.47 0.70 0.00 0.00 175.22 173.67 1p84 n ASP 208 N -0.68 -2.55 0.00 1.36 -0.08 0.56 -4.93 116.55 110.24 1p84 n ASP 208 Ca -0.08 -3.02 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 1p84 n ASP 208 Cb 0.56 1.32 0.00 0.00 2.34 0.00 0.00 41.12 45.34 1p84 n ASP 208 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p84 n GLY 209 N 2.19 2.97 0.00 0.27 0.00 -1.26 -2.77 105.19 106.59 1p84 n GLY 209 Ca 0.15 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 46.06 1p84 n GLY 209 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p84 n ASP 210 N 8.99 0.00 -4.26 1.61 9.92 -1.26 -4.86 116.55 126.69 1p84 n ASP 210 Ca 0.00 0.35 -0.23 0.00 -0.53 0.00 0.00 54.79 54.38 1p84 n ASP 210 Cb 0.00 -0.45 -0.13 0.00 -0.64 0.00 0.00 41.12 39.91 1p84 n ASP 210 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1p84 s LYS 211 N -2.90 1.08 0.00 -1.24 0.00 -1.11 -0.48 119.74 115.10 1p84 s LYS 211 Ca 0.17 -1.10 0.03 0.00 0.00 0.00 0.00 55.97 55.06 1p84 s LYS 211 Cb 0.19 -1.29 -0.03 0.00 0.00 0.00 0.00 37.83 36.69 1p84 s LYS 211 CO 0.50 0.30 -0.04 0.54 0.00 0.00 0.00 175.35 176.65 1p84 s VAL 212 N -1.15 3.83 -0.35 1.79 0.11 -0.86 -0.32 120.40 123.46 1p84 s VAL 212 Ca 0.05 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1p84 s VAL 212 Cb -0.10 -2.69 0.10 0.00 -1.53 0.00 0.00 36.38 32.16 1p84 s VAL 212 CO 0.04 0.38 0.07 -0.51 -3.33 0.00 0.00 175.10 171.74 1p84 s ILE 213 N -1.04 2.50 -0.26 7.04 2.07 -0.46 -1.80 121.20 129.24 1p84 s ILE 213 Ca 0.18 -2.20 -0.29 0.00 -1.41 0.00 0.00 60.65 56.93 1p84 s ILE 213 Cb -0.11 -2.77 0.01 0.00 0.13 0.00 0.00 42.46 39.72 1p84 s ILE 213 CO 0.09 -0.56 1.06 -0.69 -1.91 0.00 0.00 174.94 172.93 1p84 s VAL 214 N 0.98 4.60 0.00 4.00 1.01 -0.23 -2.93 120.40 127.83 1p84 s VAL 214 Ca 0.08 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1p84 s VAL 214 Cb -0.20 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1p84 s VAL 214 CO -0.07 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.36