#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr4 s SER 2 N 0.00 0.91 0.04 1.61 0.01 -1.26 -5.08 113.70 109.93 2cr4 s SER 2 Ca 0.00 -1.01 -0.31 0.00 1.31 0.00 0.00 55.95 55.94 2cr4 s SER 2 Cb 0.00 0.13 -0.17 0.00 0.21 0.00 0.00 66.02 66.19 2cr4 s SER 2 CO 0.00 -0.52 1.34 -1.28 0.41 0.00 0.00 173.24 173.19 2cr4 h SER 3 N 3.02 -0.96 0.00 2.44 0.87 -2.08 -3.48 113.55 113.36 2cr4 h SER 3 Ca -0.35 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2cr4 h SER 3 Cb 1.16 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2cr4 h SER 3 CO 0.65 -0.62 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 2cr4 n GLY 4 N -1.19 4.34 3.85 5.77 0.00 -1.26 -5.16 105.19 111.54 2cr4 n GLY 4 Ca -0.14 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 2cr4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr4 s SER 5 N 1.43 6.58 0.18 1.61 0.15 -1.26 -4.99 113.70 117.40 2cr4 s SER 5 Ca 0.00 1.55 -0.32 0.00 0.70 0.00 0.00 55.95 57.89 2cr4 s SER 5 Cb 0.00 -2.50 -0.11 0.00 -1.71 0.00 0.00 66.02 61.69 2cr4 s SER 5 CO 0.00 -0.62 1.70 -0.44 1.20 0.00 0.00 173.24 175.09 2cr4 s SER 6 N -3.19 6.44 0.00 5.45 0.01 -1.26 -4.84 113.70 116.32 2cr4 s SER 6 Ca 0.58 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.63 2cr4 s SER 6 Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2cr4 s SER 6 CO 0.34 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2cr4 n GLY 7 N 3.97 -1.26 3.20 3.44 0.00 -1.26 -5.19 105.19 108.10 2cr4 n GLY 7 Ca 0.16 0.59 -0.12 0.00 0.00 0.00 0.00 46.02 46.65 2cr4 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cr4 s GLU 8 N 0.00 0.97 -0.60 1.61 0.41 -1.26 -5.11 118.70 114.72 2cr4 s GLU 8 Ca 0.00 -1.44 0.04 0.00 -0.41 0.00 0.00 54.97 53.16 2cr4 s GLU 8 Cb 0.00 -0.15 0.16 0.00 -1.78 0.00 0.00 34.13 32.36 2cr4 s GLU 8 CO 0.00 -0.11 0.41 -0.51 -0.49 0.00 0.00 175.26 174.56 2cr4 s ASP 9 N -3.10 3.91 -0.67 -0.19 1.01 -1.26 -4.94 116.67 111.43 2cr4 s ASP 9 Ca 0.19 -3.48 -0.01 0.00 0.71 0.00 0.00 52.55 49.97 2cr4 s ASP 9 Cb 0.06 -1.31 0.42 0.00 1.01 0.00 0.00 42.92 43.11 2cr4 s ASP 9 CO 0.00 -0.14 1.90 -1.22 0.21 0.00 0.00 175.17 175.92 2cr4 n TYR 10 N 2.43 3.13 -0.11 4.23 4.02 -1.26 -4.56 117.16 125.05 2cr4 n TYR 10 Ca 0.19 -2.76 -0.22 0.00 -0.01 0.00 0.00 57.90 55.11 2cr4 n TYR 10 Cb 0.37 -1.19 -0.10 0.00 -0.02 0.00 0.00 39.34 38.40 2cr4 n TYR 10 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2cr4 n GLU 11 N -0.77 0.56 0.00 -0.72 -0.58 -1.26 -4.11 120.64 113.76 2cr4 n GLU 11 Ca 0.57 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.80 2cr4 n GLU 11 Cb 0.58 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 2cr4 n GLU 11 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2cr4 n LYS 12 N -4.41 0.00 -1.48 3.49 4.01 -1.26 -4.72 118.16 113.78 2cr4 n LYS 12 Ca -0.34 0.45 -0.37 0.00 -0.51 0.00 0.00 58.31 57.54 2cr4 n LYS 12 Cb 0.68 -1.54 0.07 0.00 -0.51 0.00 0.00 35.03 33.74 2cr4 n LYS 12 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2cr4 n VAL 13 N -1.45 3.30 0.05 -0.18 0.24 -1.26 -4.95 118.33 114.07 2cr4 n VAL 13 Ca 0.00 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.74 2cr4 n VAL 13 Cb 0.04 -1.12 -0.09 0.00 -1.47 0.00 0.00 33.84 31.20 2cr4 n VAL 13 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2cr4 h PRO 14 N 0.07 -0.16 -4.67 7.34 0.13 -1.94 -3.41 132.00 129.37 2cr4 h PRO 14 Ca -0.48 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 2cr4 h PRO 14 Cb 1.35 0.04 -0.39 0.00 0.13 0.00 0.00 31.00 32.12 2cr4 h PRO 14 CO 0.48 0.27 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.28 2cr4 s LEU 15 N -9.24 4.42 0.86 1.56 2.01 -1.26 -4.90 118.68 112.13 2cr4 s LEU 15 Ca -0.15 -2.00 -0.11 0.00 0.01 0.00 0.00 54.13 51.88 2cr4 s LEU 15 Cb 0.01 -1.58 0.11 0.00 0.01 0.00 0.00 46.19 44.75 2cr4 s LEU 15 CO 0.59 -0.35 1.09 -2.16 1.01 0.00 0.00 176.35 176.53 2cr4 s PRO 16 N 0.97 1.51 0.00 1.29 0.04 -1.26 -4.94 135.00 132.61 2cr4 s PRO 16 Ca 0.07 0.91 0.30 0.00 0.04 0.00 0.00 61.00 62.33 2cr4 s PRO 16 Cb -0.19 -1.83 1.44 0.00 0.04 0.00 0.00 34.50 33.96 2cr4 s PRO 16 CO -0.08 -2.09 1.99 0.27 0.04 0.00 0.00 177.00 177.13 2cr4 n ASN 17 N -3.79 0.26 -0.06 6.66 6.94 -1.26 -3.67 115.26 120.34 2cr4 n ASN 17 Ca 0.08 -0.53 -0.15 0.00 -0.02 0.00 0.00 54.58 53.95 2cr4 n ASN 17 Cb 0.55 -0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.77 2cr4 n ASN 17 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2cr4 h SER 18 N 0.33 0.70 -0.06 0.53 4.64 -1.92 -3.28 113.55 114.49 2cr4 h SER 18 Ca 0.00 -0.56 -0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2cr4 h SER 18 Cb 0.27 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2cr4 h SER 18 CO 0.00 1.13 0.04 -0.37 -0.87 0.00 0.00 176.83 176.76 2cr4 h VAL 19 N 0.30 1.07 -2.05 0.95 -1.51 -1.57 -3.41 116.25 110.02 2cr4 h VAL 19 Ca 0.00 -0.20 -0.54 0.00 -1.23 0.00 0.00 66.70 64.73 2cr4 h VAL 19 Cb 1.02 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2cr4 h VAL 19 CO 0.09 0.06 1.46 -0.36 -1.23 0.00 0.00 177.57 177.59 2cr4 s PHE 20 N -5.91 1.36 0.01 5.19 0.40 -1.24 -2.60 117.98 115.19 2cr4 s PHE 20 Ca -0.13 0.87 -0.01 0.00 -0.60 0.00 0.00 56.93 57.05 2cr4 s PHE 20 Cb 0.06 -3.90 -0.04 0.00 0.51 0.00 0.00 43.02 39.65 2cr4 s PHE 20 CO 0.67 -3.18 0.15 0.54 0.70 0.00 0.00 175.22 174.11 2cr4 s VAL 21 N 9.12 5.15 -0.24 -0.44 0.11 -0.59 -4.97 120.40 128.54 2cr4 s VAL 21 Ca 0.91 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 59.66 2cr4 s VAL 21 Cb -0.24 -3.41 0.21 0.00 -1.53 0.00 0.00 36.38 31.41 2cr4 s VAL 21 CO 0.30 0.29 1.21 -3.20 -3.33 0.00 0.00 175.10 170.38 2cr4 n ASN 22 N 0.89 3.09 -4.60 3.54 2.85 -1.26 -4.05 115.26 115.73 2cr4 n ASN 22 Ca -0.11 -2.45 -0.34 0.00 -0.11 0.00 0.00 54.58 51.57 2cr4 n ASN 22 Cb 0.52 -0.59 -0.11 0.00 1.24 0.00 0.00 39.78 40.84 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2cr4 s THR 23 N -1.07 4.14 -0.33 -0.44 -1.32 -1.26 -4.98 115.64 110.38 2cr4 s THR 23 Ca 0.17 -0.29 0.07 0.00 -1.21 0.00 0.00 61.69 60.43 2cr4 s THR 23 Cb 0.14 -2.78 0.53 0.00 -1.51 0.00 0.00 72.50 68.88 2cr4 s THR 23 CO 0.04 0.55 1.55 0.35 -2.21 0.00 0.00 174.62 174.89 2cr4 n THR 24 N 2.84 2.70 -4.33 5.08 -2.24 -1.26 -2.34 114.28 114.73 2cr4 n THR 24 Ca -0.18 -2.70 -0.18 0.00 -2.27 0.00 0.00 64.05 58.72 2cr4 n THR 24 Cb 0.53 -0.40 -0.14 0.00 -2.10 0.00 0.00 70.33 68.22 2cr4 n THR 24 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr4 s GLU 25 N -3.30 0.76 0.22 -0.78 2.02 -1.26 -4.75 118.70 111.62 2cr4 s GLU 25 Ca 0.48 -0.48 0.13 0.00 0.02 0.00 0.00 54.97 55.12 2cr4 s GLU 25 Cb 0.42 -0.72 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 2cr4 s GLU 25 CO 0.01 0.19 1.35 0.66 0.02 0.00 0.00 175.26 177.49 2cr4 h SER 26 N 5.51 0.00 -0.38 -0.19 4.64 -1.96 -3.18 113.55 118.00 2cr4 h SER 26 Ca -0.33 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.90 2cr4 h SER 26 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2cr4 h SER 26 CO 0.47 0.61 -0.08 0.00 -0.87 0.00 0.00 176.83 176.96 2cr4 h GLU 28 N 0.73 -0.20 -0.94 0.00 4.57 -2.00 -3.19 114.58 113.56 2cr4 h GLU 28 Ca 0.13 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.41 2cr4 h GLU 28 Cb 0.57 0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 29.08 2cr4 h GLU 28 CO 0.03 0.24 -0.53 0.28 -1.18 0.00 0.00 179.01 177.85 2cr4 n VAL 29 N -4.94 -0.62 -0.25 0.32 0.31 -1.20 0.60 118.33 112.55 2cr4 n VAL 29 Ca -0.08 2.26 0.06 0.00 -0.01 0.00 0.00 64.34 66.56 2cr4 n VAL 29 Cb 0.27 -2.81 0.19 0.00 -0.91 0.00 0.00 33.84 30.57 2cr4 n VAL 29 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2cr4 h GLU 30 N 0.00 0.36 0.24 5.55 4.22 -1.64 -1.54 114.58 121.76 2cr4 h GLU 30 Ca 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.58 2cr4 h GLU 30 Cb 0.41 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2cr4 h GLU 30 CO -0.89 0.24 -0.11 -0.09 -2.18 0.00 0.00 179.01 175.97 2cr4 h ARG 31 N 0.37 -0.31 -0.39 1.92 9.65 0.17 -2.91 114.38 122.89 2cr4 h ARG 31 Ca 0.42 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.40 2cr4 h ARG 31 Cb 0.68 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 29.24 2cr4 h ARG 31 CO -0.45 -0.17 -0.29 -0.07 2.80 0.00 0.00 179.97 181.79 2cr4 h LEU 32 N -0.37 -0.96 -0.26 3.80 3.38 0.14 0.27 115.31 121.31 2cr4 h LEU 32 Ca -0.03 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2cr4 h LEU 32 Cb 0.28 0.46 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2cr4 h LEU 32 CO 0.05 -0.30 -0.37 -0.26 0.09 0.00 0.00 178.44 177.65 2cr4 h PHE 33 N -0.23 -1.14 0.00 1.13 -1.00 -1.24 0.74 116.94 115.20 2cr4 h PHE 33 Ca 0.18 0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2cr4 h PHE 33 Cb 0.51 0.53 0.00 0.00 3.61 0.00 0.00 35.95 40.60 2cr4 h PHE 33 CO -0.50 -0.33 0.00 1.63 -1.61 0.00 0.00 178.31 177.50 2cr4 n LYS 34 N -4.49 0.14 -0.05 1.51 5.02 -0.96 -2.64 118.16 116.68 2cr4 n LYS 34 Ca -0.03 0.64 -0.01 0.00 -2.02 0.00 0.00 58.31 56.89 2cr4 n LYS 34 Cb 0.23 -1.95 -0.00 0.00 -0.02 0.00 0.00 35.03 33.28 2cr4 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cr4 h ALA 35 N 2.00 0.00 -0.54 7.82 0.00 0.24 -3.33 119.26 125.45 2cr4 h ALA 35 Ca 0.00 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2cr4 h ALA 35 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2cr4 h ALA 35 CO 0.00 0.11 0.86 0.00 0.00 0.00 0.00 179.25 180.22 2cr4 h THR 36 N -0.93 0.10 -3.69 0.00 1.03 -0.22 -3.39 112.91 105.81 2cr4 h THR 36 Ca 0.00 0.00 -0.50 0.00 -0.01 0.00 0.00 66.41 65.90 2cr4 h THR 36 Cb 0.11 0.26 -0.02 0.00 -1.07 0.00 0.00 68.15 67.43 2cr4 h THR 36 CO 0.00 0.00 0.31 -0.94 -0.01 0.00 0.00 175.52 174.88 2cr4 s SER 37 N -3.97 7.58 0.08 0.00 1.04 -1.18 -4.98 113.70 112.26 2cr4 s SER 37 Ca -0.03 1.87 -0.17 0.00 0.48 0.00 0.00 55.95 58.10 2cr4 s SER 37 Cb 0.11 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.54 2cr4 s SER 37 CO 0.38 0.16 1.39 1.55 0.98 0.00 0.00 173.24 177.70 2cr4 h PRO 38 N 4.26 0.57 0.00 4.02 0.13 -1.88 -3.16 132.00 135.94 2cr4 h PRO 38 Ca -0.45 -0.30 -0.07 0.00 -0.87 0.00 0.00 66.00 64.30 2cr4 h PRO 38 Cb 1.20 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2cr4 h PRO 38 CO 0.68 0.89 -0.34 0.00 -0.23 0.00 0.00 178.00 178.99 2cr4 h ARG 39 N 0.27 0.00 0.00 0.86 3.08 -1.93 -3.47 114.38 113.19 2cr4 h ARG 39 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2cr4 h ARG 39 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2cr4 h ARG 39 CO 0.06 0.34 0.00 0.41 -1.07 0.00 0.00 179.97 179.71 2cr4 n GLY 40 N 1.02 1.83 3.00 0.04 0.00 -1.20 -5.10 105.19 104.78 2cr4 n GLY 40 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2cr4 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 41 N -0.73 0.14 0.76 1.61 -1.05 -1.26 -4.81 118.70 113.36 2cr4 s GLU 41 Ca 0.00 0.72 -0.11 0.00 -0.15 0.00 0.00 54.97 55.43 2cr4 s GLU 41 Cb 0.00 -0.06 0.05 0.00 -0.44 0.00 0.00 34.13 33.68 2cr4 s GLU 41 CO 0.00 -0.28 1.09 -1.25 0.95 0.00 0.00 175.26 175.78 2cr4 s PRO 42 N 2.32 2.34 0.05 -4.83 0.04 -1.26 -4.84 135.00 128.82 2cr4 s PRO 42 Ca 0.01 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 2cr4 s PRO 42 Cb -0.12 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2cr4 s PRO 42 CO -0.08 -1.59 0.49 -0.65 0.04 0.00 0.00 177.00 175.21 2cr4 s GLN 43 N -4.78 4.04 0.03 4.56 1.11 -1.26 -4.98 119.66 118.38 2cr4 s GLN 43 Ca 0.62 0.56 -0.36 0.00 0.01 0.00 0.00 55.36 56.19 2cr4 s GLN 43 Cb -0.18 -3.19 -0.15 0.00 -1.01 0.00 0.00 33.01 28.48 2cr4 s GLN 43 CO 0.54 0.64 1.56 -3.47 0.01 0.00 0.00 175.29 174.57 2cr4 n ASP 44 N 1.64 2.49 0.00 5.90 2.03 -1.26 -1.23 116.55 126.12 2cr4 n ASP 44 Ca -0.11 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.28 2cr4 n ASP 44 Cb 0.52 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 2cr4 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cr4 n GLY 45 N 3.34 1.22 3.43 0.27 0.00 -1.21 -4.64 105.19 107.60 2cr4 n GLY 45 Ca 0.20 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.72 2cr4 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cr4 n LEU 46 N 0.00 1.78 -4.55 0.99 7.94 -0.36 -3.60 117.00 119.20 2cr4 n LEU 46 Ca 0.00 0.35 -0.24 0.00 -1.11 0.00 0.00 56.01 55.00 2cr4 n LEU 46 Cb 0.00 -1.21 -0.09 0.00 0.53 0.00 0.00 43.42 42.65 2cr4 n LEU 46 CO 0.00 -0.81 -0.40 -0.72 -1.11 0.00 0.00 177.39 174.35 2cr4 s TYR 47 N 7.72 2.44 0.22 1.96 1.13 -0.84 0.61 117.35 130.59 2cr4 s TYR 47 Ca 1.13 -0.35 -0.09 0.00 -1.41 0.00 0.00 57.07 56.35 2cr4 s TYR 47 Cb -0.93 -1.18 0.03 0.00 -1.10 0.00 0.00 41.96 38.79 2cr4 s TYR 47 CO 0.49 0.64 0.45 0.00 -2.51 0.00 0.00 175.55 174.62 2cr4 s ILE 49 N -2.48 0.01 0.51 0.00 1.01 -1.07 -2.04 121.20 117.15 2cr4 s ILE 49 Ca 0.09 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.53 2cr4 s ILE 49 Cb -0.03 -0.69 0.05 0.00 0.01 0.00 0.00 42.46 41.80 2cr4 s ILE 49 CO 0.07 -0.32 0.63 0.00 0.00 0.00 0.00 174.94 175.32 2cr4 s ARG 50 N 2.09 2.45 0.22 2.79 1.70 -1.07 -1.55 118.95 125.58 2cr4 s ARG 50 Ca 0.02 -1.59 -0.12 0.00 -0.47 0.00 0.00 55.73 53.58 2cr4 s ARG 50 Cb -0.16 -2.56 -0.07 0.00 -0.57 0.00 0.00 34.95 31.58 2cr4 s ARG 50 CO -0.12 -0.60 0.57 -0.80 -1.08 0.00 0.00 175.30 173.27 2cr4 s ASN 51 N -4.47 6.70 0.09 -2.89 0.01 -0.99 -1.30 114.94 112.10 2cr4 s ASN 51 Ca 0.54 1.01 -0.03 0.00 -0.71 0.00 0.00 52.86 53.67 2cr4 s ASN 51 Cb -0.06 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 2cr4 s ASN 51 CO 0.34 -0.04 0.30 -0.55 -1.51 0.00 0.00 177.10 175.64 2cr4 s SER 52 N -2.16 6.45 -0.16 -1.22 0.15 -0.96 -4.44 113.70 111.35 2cr4 s SER 52 Ca 0.45 0.48 -0.16 0.00 0.70 0.00 0.00 55.95 57.42 2cr4 s SER 52 Cb -0.12 -2.05 -0.13 0.00 -1.71 0.00 0.00 66.02 62.02 2cr4 s SER 52 CO 0.20 0.13 0.13 0.77 1.20 0.00 0.00 173.24 175.67 2cr4 h SER 53 N 3.11 0.00 -0.47 5.45 4.64 -1.91 -3.40 113.55 120.96 2cr4 h SER 53 Ca -0.46 -0.35 0.05 0.00 -0.47 0.00 0.00 61.79 60.56 2cr4 h SER 53 Cb 1.17 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 2cr4 h SER 53 CO 0.73 1.07 -0.49 0.74 -0.87 0.00 0.00 176.83 178.01 2cr4 h THR 54 N -1.00 0.00 -1.65 2.95 2.02 -1.99 -3.43 112.91 109.80 2cr4 h THR 54 Ca -0.15 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.42 2cr4 h THR 54 Cb 0.85 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.15 2cr4 h THR 54 CO -0.09 0.00 -0.57 -0.54 0.37 0.00 0.00 175.52 174.69 2cr4 s LYS 55 N -5.26 2.04 -0.12 6.66 1.02 -1.26 -5.02 119.74 117.81 2cr4 s LYS 55 Ca -0.12 -2.01 -0.03 0.00 0.02 0.00 0.00 55.97 53.83 2cr4 s LYS 55 Cb 0.08 -1.76 -0.07 0.00 -0.52 0.00 0.00 37.83 35.56 2cr4 s LYS 55 CO 0.53 -0.06 2.80 -1.13 -0.92 0.00 0.00 175.35 176.57 2cr4 n SER 56 N -1.05 5.65 0.00 2.83 3.41 -1.26 -4.35 113.62 118.85 2cr4 n SER 56 Ca -0.04 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 2cr4 n SER 56 Cb 0.66 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 2cr4 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr4 n GLY 57 N 1.65 4.09 3.13 5.00 0.00 -1.26 -4.97 105.19 112.82 2cr4 n GLY 57 Ca 0.30 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 2cr4 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr4 s LYS 58 N 2.62 0.71 -0.17 1.61 -0.14 -1.26 -2.26 119.74 120.85 2cr4 s LYS 58 Ca 0.00 -1.15 -0.00 0.00 -1.36 0.00 0.00 55.97 53.45 2cr4 s LYS 58 Cb 0.00 -0.16 0.04 0.00 -1.68 0.00 0.00 37.83 36.03 2cr4 s LYS 58 CO 0.00 -0.01 -0.05 0.08 -0.76 0.00 0.00 175.35 174.61 2cr4 s VAL 59 N -3.03 1.12 -0.23 3.17 1.01 -0.42 -1.08 120.40 120.93 2cr4 s VAL 59 Ca 0.05 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 2cr4 s VAL 59 Cb 0.01 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2cr4 s VAL 59 CO -0.04 0.11 1.64 -0.22 0.00 0.00 0.00 175.10 176.59 2cr4 s LEU 60 N 1.63 3.85 -0.20 3.92 2.96 0.20 -2.61 118.68 128.43 2cr4 s LEU 60 Ca 0.00 1.58 -0.04 0.00 -0.22 0.00 0.00 54.13 55.46 2cr4 s LEU 60 Cb -0.15 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 2cr4 s LEU 60 CO -0.08 -1.31 -0.03 -0.69 -1.32 0.00 0.00 176.35 172.92 2cr4 s VAL 61 N 5.40 3.60 0.12 1.68 1.01 -0.86 -0.32 120.40 131.03 2cr4 s VAL 61 Ca 0.73 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.36 2cr4 s VAL 61 Cb -0.25 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2cr4 s VAL 61 CO 0.30 0.44 -0.13 -0.69 0.00 0.00 0.00 175.10 175.02 2cr4 s VAL 62 N 1.14 3.14 -0.15 2.92 1.01 -1.26 -0.83 120.40 126.38 2cr4 s VAL 62 Ca 0.02 -1.43 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 2cr4 s VAL 62 Cb -0.15 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2cr4 s VAL 62 CO 0.00 0.06 0.40 0.86 0.00 0.00 0.00 175.10 176.43 2cr4 s TRP 63 N -1.28 3.46 -1.05 5.22 -0.11 0.20 -1.15 118.94 124.23 2cr4 s TRP 63 Ca 0.21 0.73 -0.07 0.00 1.22 0.00 0.00 56.10 58.19 2cr4 s TRP 63 Cb -0.10 -2.49 0.26 0.00 -1.50 0.00 0.00 33.47 29.64 2cr4 s TRP 63 CO 0.13 0.13 1.03 -0.25 -4.62 0.00 0.00 176.95 173.37 2cr4 n ASP 64 N 3.89 5.15 -0.11 5.86 8.00 0.13 -3.32 116.55 136.15 2cr4 n ASP 64 Ca -0.09 -3.08 0.27 0.00 0.71 0.00 0.00 54.79 52.60 2cr4 n ASP 64 Cb 0.51 -1.28 0.72 0.00 -0.02 0.00 0.00 41.12 41.05 2cr4 n ASP 64 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2cr4 h GLU 65 N 6.40 0.00 -0.28 -1.24 4.57 -1.90 1.95 114.58 124.09 2cr4 h GLU 65 Ca 0.18 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 2cr4 h GLU 65 Cb 0.84 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 2cr4 h GLU 65 CO 0.98 0.00 -0.06 1.79 -1.18 0.00 0.00 179.01 180.54 2cr4 h THR 66 N 0.00 1.20 0.00 0.32 1.35 -1.94 -3.09 112.91 110.74 2cr4 h THR 66 Ca 0.37 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2cr4 h THR 66 Cb 1.65 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2cr4 h THR 66 CO -0.00 0.27 0.00 -1.20 -0.25 0.00 0.00 175.52 174.34 2cr4 n SER 67 N -4.27 1.47 -3.91 5.36 7.64 0.14 -5.01 113.62 115.04 2cr4 n SER 67 Ca 0.01 -1.51 -0.25 0.00 1.01 0.00 0.00 58.87 58.13 2cr4 n SER 67 Cb 0.26 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.45 2cr4 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cr4 n ASN 68 N -0.25 -0.64 -3.76 6.43 5.15 0.62 -4.97 115.26 117.84 2cr4 n ASN 68 Ca 0.00 -0.98 -0.11 0.00 -0.60 0.00 0.00 54.58 52.89 2cr4 n ASN 68 Cb 0.14 -3.20 -0.07 0.00 -0.53 0.00 0.00 39.78 36.13 2cr4 n ASN 68 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2cr4 s LYS 69 N -6.45 0.85 0.19 1.20 -2.85 -1.10 -4.97 119.74 106.62 2cr4 s LYS 69 Ca 0.02 -0.62 -0.02 0.00 -1.00 0.00 0.00 55.97 54.35 2cr4 s LYS 69 Cb -0.01 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 2cr4 s LYS 69 CO 0.88 -0.28 0.40 0.14 0.10 0.00 0.00 175.35 176.58 2cr4 s VAL 70 N -3.00 5.18 0.50 1.79 -7.23 -1.26 0.22 120.40 116.61 2cr4 s VAL 70 Ca -0.02 -0.22 0.06 0.00 -1.81 0.00 0.00 61.98 59.99 2cr4 s VAL 70 Cb 0.01 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.26 2cr4 s VAL 70 CO -0.06 -0.12 0.40 -0.13 -0.31 0.00 0.00 175.10 174.88 2cr4 s ARG 71 N -3.15 2.33 -0.25 4.82 1.81 -0.30 -4.94 118.95 119.27 2cr4 s ARG 71 Ca 0.39 -1.85 -0.01 0.00 -1.72 0.00 0.00 55.73 52.54 2cr4 s ARG 71 Cb -0.11 -2.20 0.07 0.00 -0.45 0.00 0.00 34.95 32.26 2cr4 s ARG 71 CO 0.28 -0.48 0.03 -0.80 -0.68 0.00 0.00 175.30 173.66 2cr4 s ASN 72 N -4.23 3.60 -0.53 0.23 0.02 -1.26 -4.01 114.94 108.76 2cr4 s ASN 72 Ca 0.40 -1.24 0.01 0.00 -1.02 0.00 0.00 52.86 51.02 2cr4 s ASN 72 Cb -0.02 -0.87 0.14 0.00 0.02 0.00 0.00 41.25 40.51 2cr4 s ASN 72 CO 0.24 -0.33 0.30 -0.31 0.02 0.00 0.00 177.10 177.02 2cr4 s TYR 73 N 1.62 3.38 0.18 2.20 2.02 0.56 -4.98 117.35 122.33 2cr4 s TYR 73 Ca 0.02 -2.91 -0.33 0.00 -0.37 0.00 0.00 57.07 53.48 2cr4 s TYR 73 Cb -0.18 -3.02 -0.14 0.00 -0.40 0.00 0.00 41.96 38.23 2cr4 s TYR 73 CO -0.13 -0.83 1.54 0.54 -1.57 0.00 0.00 175.55 175.10 2cr4 n ARG 74 N 3.53 2.15 -3.39 -0.62 1.74 -1.26 0.62 116.66 119.43 2cr4 n ARG 74 Ca 0.05 0.77 -0.44 0.00 -0.77 0.00 0.00 57.85 57.47 2cr4 n ARG 74 Cb 0.36 -2.52 -0.02 0.00 -1.02 0.00 0.00 32.46 29.27 2cr4 n ARG 74 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2cr4 s ILE 75 N 0.68 5.64 1.05 0.55 1.01 -0.24 -4.24 121.20 125.65 2cr4 s ILE 75 Ca 0.76 -3.26 -0.13 0.00 0.00 0.00 0.00 60.65 58.03 2cr4 s ILE 75 Cb -0.66 -4.43 0.22 0.00 0.01 0.00 0.00 42.46 37.60 2cr4 s ILE 75 CO 0.41 -1.13 1.07 -0.36 0.00 0.00 0.00 174.94 174.93 2cr4 s PHE 76 N -0.93 1.87 -0.31 3.97 0.08 0.35 -4.33 117.98 118.69 2cr4 s PHE 76 Ca 0.27 1.05 -0.01 0.00 0.12 0.00 0.00 56.93 58.36 2cr4 s PHE 76 Cb -0.10 -3.21 0.10 0.00 -0.57 0.00 0.00 43.02 39.24 2cr4 s PHE 76 CO -0.09 -3.20 0.10 -2.00 -0.10 0.00 0.00 175.22 169.94 2cr4 s GLU 77 N -4.82 0.69 -0.01 0.44 2.12 -1.26 -1.87 118.70 113.99 2cr4 s GLU 77 Ca 0.66 -1.07 0.05 0.00 0.36 0.00 0.00 54.97 54.98 2cr4 s GLU 77 Cb -0.20 -1.95 -0.01 0.00 0.26 0.00 0.00 34.13 32.22 2cr4 s GLU 77 CO 0.60 -0.99 -0.18 0.21 -0.54 0.00 0.00 175.26 174.36 2cr4 s LYS 78 N 1.61 1.42 -1.15 4.30 2.20 -1.14 -4.72 119.74 122.26 2cr4 s LYS 78 Ca 0.10 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2cr4 s LYS 78 Cb -0.17 -1.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.77 2cr4 s LYS 78 CO -0.25 0.38 0.00 -3.47 -0.36 0.00 0.00 175.35 171.65 2cr4 n ASP 79 N 2.61 -3.77 -1.87 1.43 -0.08 -1.26 0.27 116.55 113.87 2cr4 n ASP 79 Ca -0.15 0.23 -0.14 0.00 -1.51 0.00 0.00 54.79 53.21 2cr4 n ASP 79 Cb 0.54 -3.30 0.01 0.00 2.34 0.00 0.00 41.12 40.71 2cr4 n ASP 79 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2cr4 n SER 80 N -1.40 -4.43 -3.62 1.67 2.88 -1.26 -5.01 113.62 102.45 2cr4 n SER 80 Ca -0.14 -0.12 -0.20 0.00 -1.33 0.00 0.00 58.87 57.07 2cr4 n SER 80 Cb 0.55 -3.41 -0.16 0.00 -0.75 0.00 0.00 64.21 60.44 2cr4 n SER 80 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2cr4 s LYS 81 N -5.07 0.05 0.15 -1.46 1.02 0.14 -4.58 119.74 109.99 2cr4 s LYS 81 Ca 0.13 0.30 -0.33 0.00 0.02 0.00 0.00 55.97 56.09 2cr4 s LYS 81 Cb -0.06 -0.87 -0.13 0.00 -0.52 0.00 0.00 37.83 36.26 2cr4 s LYS 81 CO 0.15 -0.46 1.69 1.19 -0.92 0.00 0.00 175.35 177.00 2cr4 n PHE 82 N 5.31 2.47 -4.00 3.18 3.72 0.35 -2.89 117.46 125.60 2cr4 n PHE 82 Ca -0.05 0.11 -0.09 0.00 -0.05 0.00 0.00 57.45 57.38 2cr4 n PHE 82 Cb 0.50 -2.62 -0.11 0.00 -0.94 0.00 0.00 39.48 36.31 2cr4 n PHE 82 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2cr4 s TYR 83 N 1.54 0.31 -0.09 1.38 -0.85 -0.78 -0.79 117.35 118.07 2cr4 s TYR 83 Ca 0.79 -0.65 0.02 0.00 -0.52 0.00 0.00 57.07 56.72 2cr4 s TYR 83 Cb -0.60 -0.23 -0.07 0.00 0.38 0.00 0.00 41.96 41.44 2cr4 s TYR 83 CO 0.37 -0.25 -0.06 1.28 -1.52 0.00 0.00 175.55 175.37 2cr4 n LEU 84 N 1.16 2.19 -0.11 -3.49 4.77 -1.26 -0.49 117.00 119.78 2cr4 n LEU 84 Ca -0.21 -0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.52 2cr4 n LEU 84 Cb 0.57 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 2cr4 n LEU 84 CO 0.22 0.54 -0.71 -1.84 -1.33 0.00 0.00 177.39 174.27 2cr4 n GLU 85 N -2.66 0.55 0.00 3.23 0.28 -1.26 -4.88 120.64 115.90 2cr4 n GLU 85 Ca -0.17 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 2cr4 n GLU 85 Cb 0.71 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.91 2cr4 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cr4 n GLY 86 N 1.42 -0.06 0.56 -1.84 0.00 -1.26 -4.91 105.19 99.09 2cr4 n GLY 86 Ca -0.33 0.01 0.44 0.00 0.00 0.00 0.00 46.02 46.13 2cr4 n GLY 86 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr4 n GLU 87 N 0.00 -0.02 -3.16 1.61 0.28 -1.26 -3.54 120.64 114.56 2cr4 n GLU 87 Ca 0.00 1.07 -0.44 0.00 -0.16 0.00 0.00 57.16 57.63 2cr4 n GLU 87 Cb 0.00 -2.29 -0.06 0.00 1.43 0.00 0.00 31.44 30.52 2cr4 n GLU 87 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cr4 s VAL 88 N -4.89 4.88 0.47 3.84 1.01 -1.26 -5.04 120.40 119.41 2cr4 s VAL 88 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2cr4 s VAL 88 Cb 0.26 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2cr4 s VAL 88 CO 0.79 -0.80 0.01 -0.76 0.00 0.00 0.00 175.10 174.34 2cr4 s LEU 89 N 2.63 2.48 -0.05 3.92 1.02 -1.23 -4.27 118.68 123.17 2cr4 s LEU 89 Ca 0.15 -1.55 -0.02 0.00 0.02 0.00 0.00 54.13 52.73 2cr4 s LEU 89 Cb -0.19 -0.76 0.04 0.00 0.02 0.00 0.00 46.19 45.29 2cr4 s LEU 89 CO 0.12 -0.71 0.10 -0.36 0.02 0.00 0.00 176.35 175.52 2cr4 s PHE 90 N -2.84 -0.06 0.63 0.29 0.40 0.03 -4.94 117.98 111.49 2cr4 s PHE 90 Ca 0.17 0.37 0.25 0.00 -0.60 0.00 0.00 56.93 57.13 2cr4 s PHE 90 Cb 0.05 -0.29 1.29 0.00 0.51 0.00 0.00 43.02 44.58 2cr4 s PHE 90 CO 0.09 -0.19 1.72 -0.24 0.70 0.00 0.00 175.22 177.31 2cr4 h VAL 91 N 6.32 0.14 -1.99 -0.44 3.04 -1.86 0.10 116.25 121.55 2cr4 h VAL 91 Ca -0.26 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.41 2cr4 h VAL 91 Cb 1.12 0.49 -0.19 0.00 -2.01 0.00 0.00 31.29 30.70 2cr4 h VAL 91 CO 0.28 0.00 0.29 -0.94 -1.01 0.00 0.00 177.57 176.19 2cr4 s SER 92 N -4.43 -0.57 0.24 3.17 1.04 -1.26 -4.71 113.70 107.18 2cr4 s SER 92 Ca -0.03 0.55 -0.06 0.00 0.48 0.00 0.00 55.95 56.90 2cr4 s SER 92 Cb 0.11 0.48 0.44 0.00 0.10 0.00 0.00 66.02 67.15 2cr4 s SER 92 CO 0.36 -0.57 1.69 0.58 0.98 0.00 0.00 173.24 176.27 2cr4 h VAL 93 N 2.77 0.52 -0.40 5.02 2.07 -1.93 -2.57 116.25 121.73 2cr4 h VAL 93 Ca -0.25 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.22 2cr4 h VAL 93 Cb 1.16 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2cr4 h VAL 93 CO 0.37 0.05 -0.32 1.23 0.02 0.00 0.00 177.57 178.91 2cr4 h GLY 94 N 0.26 -1.55 -0.01 2.17 0.00 -1.96 0.10 103.07 102.08 2cr4 h GLY 94 Ca 0.40 0.87 0.12 0.00 0.00 0.00 0.00 47.33 48.73 2cr4 h GLY 94 CO -0.50 -0.41 0.01 1.76 0.00 0.00 0.00 176.54 177.40 2cr4 h SER 95 N -0.11 -0.24 -0.29 0.19 0.02 -1.87 -1.15 113.55 110.10 2cr4 h SER 95 Ca 0.07 0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 2cr4 h SER 95 Cb 0.28 0.25 -0.07 0.00 0.14 0.00 0.00 62.40 63.01 2cr4 h SER 95 CO -0.43 -0.10 -0.15 -0.03 -1.14 0.00 0.00 176.83 174.98 2cr4 h MET 96 N 0.13 -0.11 -0.70 3.45 4.05 -0.91 0.14 114.93 120.98 2cr4 h MET 96 Ca 0.31 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.84 2cr4 h MET 96 Cb 0.50 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.25 2cr4 h MET 96 CO -0.50 -0.07 0.32 0.28 0.23 0.00 0.00 176.91 177.16 2cr4 h VAL 97 N -0.11 0.79 0.00 -5.77 2.07 0.34 0.67 116.25 114.24 2cr4 h VAL 97 Ca 0.15 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2cr4 h VAL 97 Cb 0.34 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2cr4 h VAL 97 CO -0.36 0.10 -0.43 -0.33 0.02 0.00 0.00 177.57 176.57 2cr4 h GLU 98 N 0.53 0.00 -0.10 1.57 5.08 -0.58 -1.99 114.58 119.08 2cr4 h GLU 98 Ca 0.36 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 2cr4 h GLU 98 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2cr4 h GLU 98 CO -0.30 0.43 -0.18 1.25 -1.00 0.00 0.00 179.01 179.20 2cr4 h HIS 99 N 0.00 0.38 -0.18 4.33 2.76 0.12 -3.19 115.15 119.38 2cr4 h HIS 99 Ca -0.00 -0.13 -0.07 0.00 -2.20 0.00 0.00 60.37 57.96 2cr4 h HIS 99 Cb 0.76 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 2cr4 h HIS 99 CO 0.00 0.79 -0.22 1.88 -1.30 0.00 0.00 177.93 179.08 2cr4 h TYR 100 N -0.13 0.34 -1.43 5.26 0.05 -0.89 -2.70 116.97 117.47 2cr4 h TYR 100 Ca 0.01 -0.06 0.41 0.00 0.05 0.00 0.00 58.73 59.14 2cr4 h TYR 100 Cb 0.76 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 38.35 2cr4 h TYR 100 CO 0.10 0.52 1.26 0.72 -1.05 0.00 0.00 178.16 179.71 2cr4 n HIS 101 N -4.17 0.00 -0.01 4.88 8.25 -0.76 0.79 115.22 124.20 2cr4 n HIS 101 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 2cr4 n HIS 101 Cb 0.35 -0.36 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 2cr4 n HIS 101 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2cr4 n THR 102 N -3.47 0.13 -3.54 1.59 -2.24 -1.11 -4.82 114.28 100.82 2cr4 n THR 102 Ca 0.32 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.54 2cr4 n THR 102 Cb 1.69 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2cr4 s HIS 103 N -2.25 3.57 0.36 4.78 4.02 0.24 -5.06 115.29 120.93 2cr4 s HIS 103 Ca -0.02 -2.36 -0.21 0.00 1.02 0.00 0.00 55.06 53.48 2cr4 s HIS 103 Cb 0.02 -3.49 -0.15 0.00 -1.02 0.00 0.00 32.58 27.94 2cr4 s HIS 103 CO 0.20 -0.91 0.14 1.55 1.02 0.00 0.00 174.74 176.74 2cr4 n VAL 104 N 3.74 0.80 -1.57 -0.90 3.14 -1.23 -4.46 118.33 117.84 2cr4 n VAL 104 Ca 0.10 -0.48 -0.32 0.00 -2.96 0.00 0.00 64.34 60.68 2cr4 n VAL 104 Cb 0.42 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.26 2cr4 n VAL 104 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2cr4 s LEU 105 N 3.96 3.26 0.90 6.55 1.43 -0.63 -4.96 118.68 129.19 2cr4 s LEU 105 Ca 0.57 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 55.50 2cr4 s LEU 105 Cb -0.65 -4.54 0.13 0.00 0.03 0.00 0.00 46.19 41.16 2cr4 s LEU 105 CO 0.59 -1.79 1.09 -2.16 0.23 0.00 0.00 176.35 174.31 2cr4 s PRO 106 N -4.38 1.20 -1.32 1.29 0.04 -1.26 -3.78 135.00 126.79 2cr4 s PRO 106 Ca 0.65 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2cr4 s PRO 106 Cb -0.19 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2cr4 s PRO 106 CO 0.47 -2.28 0.00 0.43 0.04 0.00 0.00 177.00 175.66 2cr4 n SER 107 N -3.90 -4.46 -2.45 6.66 7.64 -1.26 -4.96 113.62 110.89 2cr4 n SER 107 Ca 0.07 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 60.02 2cr4 n SER 107 Cb 0.55 -3.40 0.00 0.00 -1.01 0.00 0.00 64.21 60.35 2cr4 n SER 107 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2cr4 n HIS 108 N -3.31 -1.72 -0.03 1.43 -0.00 -1.25 -5.10 115.22 105.24 2cr4 n HIS 108 Ca -0.15 -1.61 -0.07 0.00 -0.00 0.00 0.00 57.72 55.90 2cr4 n HIS 108 Cb 0.54 0.60 -0.02 0.00 -0.00 0.00 0.00 29.99 31.11 2cr4 n HIS 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2cr4 n GLN 109 N -0.43 0.25 -2.95 1.57 10.64 -1.26 -4.89 117.38 120.32 2cr4 n GLN 109 Ca -0.04 0.10 -0.18 0.00 -1.83 0.00 0.00 57.00 55.06 2cr4 n GLN 109 Cb 0.46 -0.94 -0.01 0.00 -0.86 0.00 0.00 30.24 28.88 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2cr4 n SER 110 N -3.86 1.93 -4.20 2.61 2.88 -1.26 -4.92 113.62 106.80 2cr4 n SER 110 Ca -0.11 -3.10 -0.41 0.00 -1.33 0.00 0.00 58.87 53.92 2cr4 n SER 110 Cb 0.35 -0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 63.16 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2cr4 s LEU 111 N -2.88 5.74 0.40 2.46 2.96 -1.26 -5.04 118.68 121.06 2cr4 s LEU 111 Ca 0.39 -2.18 0.08 0.00 -0.22 0.00 0.00 54.13 52.19 2cr4 s LEU 111 Cb 0.37 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2cr4 s LEU 111 CO -0.07 -0.62 0.28 -0.76 -1.32 0.00 0.00 176.35 173.86 2cr4 s LEU 112 N 0.95 3.29 -0.60 -0.68 1.43 -1.26 -1.61 118.68 120.20 2cr4 s LEU 112 Ca 0.09 -0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 52.12 2cr4 s LEU 112 Cb -0.23 -1.80 0.07 0.00 0.03 0.00 0.00 46.19 44.26 2cr4 s LEU 112 CO -0.02 -0.56 0.82 -0.76 0.23 0.00 0.00 176.35 176.05 2cr4 s LEU 113 N -4.01 4.75 -0.12 1.79 1.43 -1.26 -4.49 118.68 116.76 2cr4 s LEU 113 Ca 0.44 -1.02 -0.08 0.00 -1.03 0.00 0.00 54.13 52.45 2cr4 s LEU 113 Cb -0.01 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2cr4 s LEU 113 CO 0.25 -1.21 -0.15 0.03 0.23 0.00 0.00 176.35 175.50 2cr4 h ARG 114 N 9.31 0.00 -4.60 1.70 3.08 -1.83 -3.44 114.38 118.60 2cr4 h ARG 114 Ca -0.28 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.37 2cr4 h ARG 114 Cb 1.08 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.83 2cr4 h ARG 114 CO 1.10 0.00 -0.78 -1.01 -1.07 0.00 0.00 179.97 178.22 2cr4 s HIS 115 N -2.05 0.82 1.03 3.04 3.76 -1.25 -5.04 115.29 115.60 2cr4 s HIS 115 Ca -0.12 -0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 54.48 2cr4 s HIS 115 Cb 0.02 -0.56 0.21 0.00 1.11 0.00 0.00 32.58 33.35 2cr4 s HIS 115 CO 0.18 -0.05 1.10 -1.25 -0.85 0.00 0.00 174.74 173.86 2cr4 s PRO 116 N 0.00 0.13 0.28 8.40 0.04 -1.26 -1.98 135.00 140.62 2cr4 s PRO 116 Ca 0.00 0.42 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 2cr4 s PRO 116 Cb -0.06 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 2cr4 s PRO 116 CO -0.00 -2.91 0.74 -0.47 0.04 0.00 0.00 177.00 174.40 2cr4 s TYR 117 N -2.97 3.49 0.00 0.56 5.04 0.65 -4.12 117.35 120.00 2cr4 s TYR 117 Ca 0.66 1.30 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 2cr4 s TYR 117 Cb -0.18 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.55 2cr4 s TYR 117 CO 0.57 0.19 0.00 0.41 -1.34 0.00 0.00 175.55 175.38 2cr4 n GLY 118 N 0.08 1.11 3.24 8.97 0.00 -1.26 -2.61 105.19 114.71 2cr4 n GLY 118 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2cr4 n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2cr4 n TYR 119 N 0.00 -1.85 -3.86 1.61 9.36 -1.26 -5.01 117.16 116.15 2cr4 n TYR 119 Ca 0.00 0.23 -0.20 0.00 3.32 0.00 0.00 57.90 61.25 2cr4 n TYR 119 Cb 0.00 -1.58 -0.17 0.00 -0.63 0.00 0.00 39.34 36.96 2cr4 n TYR 119 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2cr4 s THR 120 N -2.21 0.24 -0.13 2.97 -1.32 -1.26 -5.00 115.64 108.92 2cr4 s THR 120 Ca 0.51 0.13 -0.00 0.00 -1.21 0.00 0.00 61.69 61.12 2cr4 s THR 120 Cb -0.11 -0.37 -0.08 0.00 -1.51 0.00 0.00 72.50 70.43 2cr4 s THR 120 CO 0.68 0.20 -0.12 -0.24 -2.21 0.00 0.00 174.62 172.93 2cr4 n SER 121 N 4.66 2.67 -4.76 8.08 2.88 -1.26 -5.03 113.62 120.87 2cr4 n SER 121 Ca -0.16 -0.03 -0.33 0.00 -1.33 0.00 0.00 58.87 57.02 2cr4 n SER 121 Cb 0.50 -0.24 0.07 0.00 -0.75 0.00 0.00 64.21 63.79 2cr4 n SER 121 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr4 s GLY 122 N -5.25 2.06 0.00 0.46 0.00 -1.26 -4.90 107.32 98.44 2cr4 s GLY 122 Ca -0.18 0.53 0.15 0.00 0.00 0.00 0.00 44.72 45.22 2cr4 s GLY 122 CO 0.29 0.89 1.37 -1.55 0.00 0.00 0.00 173.10 174.09 2cr4 n PRO 123 N -2.74 0.40 -1.48 2.90 -0.04 -1.26 -4.85 135.00 127.93 2cr4 n PRO 123 Ca 0.10 0.05 -0.61 0.00 -0.04 0.00 0.00 63.50 63.00 2cr4 n PRO 123 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2cr4 n PRO 123 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cr4 n SER 124 N -1.09 0.99 -3.98 3.54 7.64 -1.26 -4.91 113.62 114.54 2cr4 n SER 124 Ca 0.10 0.95 -0.09 0.00 1.01 0.00 0.00 58.87 60.85 2cr4 n SER 124 Cb 0.07 -0.84 -0.10 0.00 -1.01 0.00 0.00 64.21 62.34 2cr4 n SER 124 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr4 s SER 125 N 3.83 0.27 0.00 6.43 0.01 -1.26 -5.10 113.70 117.88 2cr4 s SER 125 Ca 1.04 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2cr4 s SER 125 Cb -1.41 0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.03 2cr4 s SER 125 CO 0.72 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.46